#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wns h GLY 9 N 0.00 0.26 0.91 -3.96 0.00 -2.00 -1.72 103.07 96.57 2wns h GLY 9 Ca 0.00 0.30 0.03 0.00 0.00 0.00 0.00 47.33 47.66 2wns h GLY 9 CO 0.00 -0.24 0.59 -2.55 0.00 0.00 0.00 176.54 174.34 2wns h PRO 10 N -0.07 1.13 -0.71 4.80 0.11 -2.02 -1.82 132.00 133.43 2wns h PRO 10 Ca 0.29 -0.07 0.01 0.00 0.11 0.00 0.00 66.00 66.34 2wns h PRO 10 Cb 0.52 -0.25 -0.04 0.00 0.11 0.00 0.00 31.00 31.34 2wns h PRO 10 CO -0.69 0.75 0.47 1.25 -0.21 0.00 0.00 178.00 179.57 2wns h LEU 11 N 1.16 0.81 -0.77 2.35 6.46 -1.83 -1.91 115.31 121.58 2wns h LEU 11 Ca 0.35 -0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 58.08 2wns h LEU 11 Cb -0.04 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 39.66 2wns h LEU 11 CO -0.11 0.58 0.43 0.58 -0.62 0.00 0.00 178.44 179.31 2wns h VAL 12 N 0.95 1.23 -0.35 1.05 2.07 -0.88 -1.92 116.25 118.40 2wns h VAL 12 Ca 0.26 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 67.24 2wns h VAL 12 Cb -0.11 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 29.84 2wns h VAL 12 CO -0.06 0.25 0.23 0.74 0.02 0.00 0.00 177.57 178.75 2wns h THR 13 N 1.06 1.08 -0.31 2.57 2.02 -0.99 -0.64 112.91 117.70 2wns h THR 13 Ca 0.27 -0.16 0.05 0.00 0.77 0.00 0.00 66.41 67.34 2wns h THR 13 Cb 0.01 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 66.96 2wns h THR 13 CO -0.05 0.08 0.03 1.23 0.37 0.00 0.00 175.52 177.19 2wns h GLY 14 N 0.46 0.33 0.73 2.16 0.00 -1.19 -1.30 103.07 104.26 2wns h GLY 14 Ca 0.13 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.51 2wns h GLY 14 CO -0.04 -0.04 0.26 1.41 0.00 0.00 0.00 176.54 178.14 2wns h LEU 15 N 0.13 0.38 -0.74 3.11 3.38 -0.99 -0.42 115.31 120.17 2wns h LEU 15 Ca 0.15 0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.27 2wns h LEU 15 Cb 0.18 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 40.80 2wns h LEU 15 CO -0.22 0.26 0.33 0.22 0.09 0.00 0.00 178.44 179.12 2wns h TYR 16 N 0.51 0.57 -0.32 1.13 3.20 -0.75 -1.04 116.97 120.27 2wns h TYR 16 Ca 0.23 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 62.05 2wns h TYR 16 Cb 0.13 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 2wns h TYR 16 CO -0.10 0.13 -0.12 -0.44 -1.64 0.00 0.00 178.16 175.99 2wns h ASP 17 N 0.51 0.54 -0.16 -2.11 3.32 0.08 -1.21 116.42 117.38 2wns h ASP 17 Ca 0.39 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.29 2wns h ASP 17 Cb 0.53 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.93 2wns h ASP 17 CO -0.35 0.70 0.00 1.33 -1.72 0.00 0.00 179.24 179.20 2wns n VAL 18 N -4.19 0.63 -3.62 -1.35 0.24 -0.79 -4.89 118.33 104.36 2wns n VAL 18 Ca 0.01 -0.35 -0.22 0.00 -2.04 0.00 0.00 64.34 61.74 2wns n VAL 18 Cb 0.33 -0.30 0.06 0.00 -1.47 0.00 0.00 33.84 32.46 2wns n VAL 18 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wns n GLN 19 N 0.15 -6.23 0.22 7.34 3.00 -0.46 -4.56 117.38 116.83 2wns n GLN 19 Ca 0.07 0.74 0.12 0.00 -0.01 0.00 0.00 57.00 57.92 2wns n GLN 19 Cb 0.42 -5.61 0.16 0.00 0.00 0.00 0.00 30.24 25.22 2wns n GLN 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2wns h ALA 20 N 0.92 0.99 -2.65 -1.58 0.00 -1.34 -3.43 119.26 112.17 2wns h ALA 20 Ca -0.59 -0.01 -0.72 0.00 0.00 0.00 0.00 54.91 53.59 2wns h ALA 20 Cb 1.36 -0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.89 2wns h ALA 20 CO 0.56 0.02 -0.44 -0.06 0.00 0.00 0.00 179.25 179.32 2wns s PHE 21 N -3.21 3.29 -0.10 0.00 0.08 -1.26 -0.17 117.98 116.61 2wns s PHE 21 Ca 0.07 -1.20 -0.04 0.00 0.12 0.00 0.00 56.93 55.88 2wns s PHE 21 Cb 0.05 -2.88 -0.04 0.00 -0.57 0.00 0.00 43.02 39.59 2wns s PHE 21 CO 0.67 -0.78 0.04 0.15 -0.10 0.00 0.00 175.22 175.20 2wns s LYS 22 N 1.52 3.20 0.13 0.44 -0.14 0.37 -4.98 119.74 120.29 2wns s LYS 22 Ca 0.03 -0.33 0.11 0.00 -1.36 0.00 0.00 55.97 54.41 2wns s LYS 22 Cb -0.22 -2.93 -0.04 0.00 -1.68 0.00 0.00 37.83 32.95 2wns s LYS 22 CO 0.05 0.67 -0.26 -0.06 -0.76 0.00 0.00 175.35 174.99 2wns s PHE 23 N -0.78 2.26 0.00 3.18 0.08 -1.26 -1.05 117.98 120.41 2wns s PHE 23 Ca 0.12 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.79 2wns s PHE 23 Cb -0.12 -1.22 0.00 0.00 -0.57 0.00 0.00 43.02 41.12 2wns s PHE 23 CO 0.03 0.34 0.00 0.41 -0.10 0.00 0.00 175.22 175.90 2wns n GLY 24 N 0.87 0.15 2.90 4.36 0.00 -0.75 -4.99 105.19 107.73 2wns n GLY 24 Ca -0.18 -0.34 -0.15 0.00 0.00 0.00 0.00 46.02 45.35 2wns n GLY 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wns s ASP 25 N -4.00 0.62 -0.01 1.61 2.15 -1.25 -4.16 116.67 111.62 2wns s ASP 25 Ca 0.00 0.42 0.01 0.00 0.43 0.00 0.00 52.55 53.41 2wns s ASP 25 Cb 0.00 0.46 0.00 0.00 -0.30 0.00 0.00 42.92 43.09 2wns s ASP 25 CO 0.00 -0.25 -0.03 -0.36 -0.17 0.00 0.00 175.17 174.36 2wns s PHE 26 N 2.35 0.37 -0.23 -5.34 0.08 0.98 -4.93 117.98 111.27 2wns s PHE 26 Ca 0.03 -0.06 -0.16 0.00 0.12 0.00 0.00 56.93 56.85 2wns s PHE 26 Cb -0.12 -0.29 -0.04 0.00 -0.57 0.00 0.00 43.02 42.00 2wns s PHE 26 CO -0.07 -0.04 0.43 0.08 -0.10 0.00 0.00 175.22 175.51 2wns s VAL 27 N 0.18 5.16 0.74 -0.44 1.01 -1.26 0.14 120.40 125.92 2wns s VAL 27 Ca -0.02 0.73 -0.10 0.00 0.00 0.00 0.00 61.98 62.60 2wns s VAL 27 Cb -0.05 -3.75 0.05 0.00 0.00 0.00 0.00 36.38 32.63 2wns s VAL 27 CO -0.00 0.19 1.10 -0.76 0.00 0.00 0.00 175.10 175.62 2wns s LEU 28 N 1.74 2.74 0.32 3.92 1.43 -0.21 -4.91 118.68 123.71 2wns s LEU 28 Ca 0.19 0.81 0.03 0.00 -1.03 0.00 0.00 54.13 54.13 2wns s LEU 28 Cb -0.15 -3.45 0.60 0.00 0.03 0.00 0.00 46.19 43.23 2wns s LEU 28 CO 0.09 -1.61 1.91 0.11 0.23 0.00 0.00 176.35 177.07 2wns h LYS 29 N -0.78 0.91 0.00 1.70 1.57 -1.98 0.78 116.57 118.77 2wns h LYS 29 Ca -0.45 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2wns h LYS 29 Cb 1.30 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2wns h LYS 29 CO 0.64 0.60 0.00 -1.13 -0.57 0.00 0.00 179.45 178.99 2wns n SER 30 N -4.50 0.00 0.00 0.86 3.41 -1.26 -4.84 113.62 107.29 2wns n SER 30 Ca 0.14 -0.83 0.00 0.00 -0.26 0.00 0.00 58.87 57.92 2wns n SER 30 Cb 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 2wns n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wns n GLY 31 N -0.05 1.00 3.88 5.00 0.00 0.27 -5.03 105.19 110.26 2wns n GLY 31 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 2wns n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wns s LEU 32 N 0.00 4.11 0.35 0.99 1.02 -1.26 -4.81 118.68 119.08 2wns s LEU 32 Ca 0.00 0.89 -0.19 0.00 0.02 0.00 0.00 54.13 54.85 2wns s LEU 32 Cb 0.00 -3.68 -0.10 0.00 0.02 0.00 0.00 46.19 42.44 2wns s LEU 32 CO 0.00 -0.13 0.84 -0.44 0.02 0.00 0.00 176.35 176.63 2wns s SER 33 N -2.64 6.92 -0.02 2.29 0.01 -1.26 -1.04 113.70 117.96 2wns s SER 33 Ca 0.47 1.51 -0.03 0.00 1.31 0.00 0.00 55.95 59.21 2wns s SER 33 Cb -0.11 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.66 2wns s SER 33 CO 0.24 -0.23 0.08 -0.55 0.41 0.00 0.00 173.24 173.19 2wns s SER 34 N -2.11 -0.03 0.00 2.44 0.15 0.37 -4.92 113.70 109.59 2wns s SER 34 Ca 0.56 0.04 0.28 0.00 0.70 0.00 0.00 55.95 57.52 2wns s SER 34 Cb -0.11 0.17 1.37 0.00 -1.71 0.00 0.00 66.02 65.73 2wns s SER 34 CO 0.17 -0.11 1.95 -0.81 1.20 0.00 0.00 173.24 175.64 2wns n PRO 35 N 2.64 0.31 -3.87 5.44 -0.04 -1.26 -0.01 135.00 138.21 2wns n PRO 35 Ca -0.15 0.02 -0.12 0.00 -0.04 0.00 0.00 63.50 63.21 2wns n PRO 35 Cb 0.58 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.42 2wns n PRO 35 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2wns s ILE 36 N -2.66 0.02 -0.03 0.52 2.07 -1.26 -1.80 121.20 118.06 2wns s ILE 36 Ca 0.24 -0.21 0.02 0.00 -1.41 0.00 0.00 60.65 59.29 2wns s ILE 36 Cb 0.19 -0.17 0.01 0.00 0.13 0.00 0.00 42.46 42.61 2wns s ILE 36 CO 0.44 -0.11 -0.06 -0.47 -1.91 0.00 0.00 174.94 172.83 2wns s TYR 37 N -0.33 0.77 -0.35 3.50 5.04 -0.21 -4.91 117.35 120.85 2wns s TYR 37 Ca -0.04 -0.19 -0.09 0.00 -2.44 0.00 0.00 57.07 54.30 2wns s TYR 37 Cb -0.03 -0.60 0.02 0.00 0.35 0.00 0.00 41.96 41.70 2wns s TYR 37 CO 0.00 -0.13 0.16 0.42 -1.34 0.00 0.00 175.55 174.67 2wns s ILE 38 N 0.48 4.34 -0.38 3.14 1.09 -1.25 -0.48 121.20 128.14 2wns s ILE 38 Ca -0.07 -0.84 0.02 0.00 -1.10 0.00 0.00 60.65 58.67 2wns s ILE 38 Cb -0.10 -3.38 0.11 0.00 -1.06 0.00 0.00 42.46 38.02 2wns s ILE 38 CO 0.00 -0.14 0.12 -0.62 -0.10 0.00 0.00 174.94 174.20 2wns s ASP 39 N 1.52 4.84 0.00 3.58 -1.08 0.76 -4.96 116.67 121.34 2wns s ASP 39 Ca 0.02 -2.25 0.14 0.00 -0.52 0.00 0.00 52.55 49.93 2wns s ASP 39 Cb -0.19 -1.68 0.49 0.00 -1.46 0.00 0.00 42.92 40.08 2wns s ASP 39 CO 0.05 -0.40 1.36 0.18 0.52 0.00 0.00 175.17 176.89 2wns n LEU 40 N 4.17 1.43 0.23 -1.34 4.32 -1.26 -4.06 117.00 120.49 2wns n LEU 40 Ca 0.03 -0.67 0.13 0.00 -0.02 0.00 0.00 56.01 55.48 2wns n LEU 40 Cb 0.41 -0.14 0.76 0.00 -1.62 0.00 0.00 43.42 42.82 2wns n LEU 40 CO 0.26 0.33 1.11 0.03 -1.22 0.00 0.00 177.39 177.91 2wns h ARG 41 N 1.69 0.00 0.00 3.23 3.08 -1.93 -1.98 114.38 118.47 2wns h ARG 41 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wns h ARG 41 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2wns h ARG 41 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 2wns n GLY 42 N -1.47 -1.49 0.34 0.04 0.00 -1.26 -3.78 105.19 97.57 2wns n GLY 42 Ca -0.01 -0.05 0.17 0.00 0.00 0.00 0.00 46.02 46.13 2wns n GLY 42 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2wns h ILE 43 N 0.00 0.54 0.00 -0.61 2.10 -1.65 -1.48 117.51 116.40 2wns h ILE 43 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 2wns h ILE 43 Cb 0.53 0.82 0.00 0.00 -1.09 0.00 0.00 36.82 37.08 2wns h ILE 43 CO 0.00 0.00 0.00 -0.37 -1.08 0.00 0.00 178.15 176.70 2wns h VAL 44 N 0.00 0.00 0.00 2.19 -1.51 -1.80 -1.86 116.25 113.28 2wns h VAL 44 Ca 0.12 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 2wns h VAL 44 Cb 0.59 0.82 0.00 0.00 -2.13 0.00 0.00 31.29 30.56 2wns h VAL 44 CO -0.00 0.00 -0.12 -1.54 -1.23 0.00 0.00 177.57 174.67 2wns n SER 45 N -2.44 0.16 -3.65 4.19 3.41 -0.56 -4.45 113.62 110.29 2wns n SER 45 Ca -0.00 0.33 -0.28 0.00 -0.26 0.00 0.00 58.87 58.66 2wns n SER 45 Cb 0.13 -0.33 -0.11 0.00 -0.26 0.00 0.00 64.21 63.64 2wns n SER 45 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2wns s ARG 46 N -3.01 1.64 0.53 4.33 1.81 -0.70 -5.00 118.95 118.56 2wns s ARG 46 Ca 0.13 -2.66 0.22 0.00 -1.72 0.00 0.00 55.73 51.70 2wns s ARG 46 Cb 0.18 -2.40 1.38 0.00 -0.45 0.00 0.00 34.95 33.67 2wns s ARG 46 CO 0.58 -1.32 2.08 -1.00 -0.68 0.00 0.00 175.30 174.95 2wns h PRO 47 N 5.62 0.00 -0.03 3.54 0.13 -1.78 -0.62 132.00 138.86 2wns h PRO 47 Ca 0.19 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2wns h PRO 47 Cb 0.84 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 2wns h PRO 47 CO 0.54 0.00 0.01 0.00 -0.23 0.00 0.00 178.00 178.32 2wns h ARG 48 N 0.00 0.05 -0.84 0.86 3.08 -1.94 -1.86 114.38 113.73 2wns h ARG 48 Ca 0.13 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 2wns h ARG 48 Cb 0.52 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.53 2wns h ARG 48 CO -0.00 0.20 0.39 1.25 -1.07 0.00 0.00 179.97 180.74 2wns h LEU 49 N -0.11 1.11 -0.81 3.04 5.85 -1.61 -1.45 115.31 121.33 2wns h LEU 49 Ca 0.01 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.63 2wns h LEU 49 Cb 0.17 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 2wns h LEU 49 CO -0.00 0.95 0.50 0.25 -0.34 0.00 0.00 178.44 179.80 2wns h LEU 50 N 1.21 0.81 -0.52 2.25 6.46 -1.06 -1.14 115.31 123.32 2wns h LEU 50 Ca 0.29 0.01 -0.08 0.00 -0.12 0.00 0.00 57.88 57.98 2wns h LEU 50 Cb 0.14 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 39.88 2wns h LEU 50 CO -0.03 0.54 0.02 0.28 -0.62 0.00 0.00 178.44 178.62 2wns h SER 51 N 0.95 0.89 -0.51 1.25 0.02 -0.93 -0.86 113.55 114.36 2wns h SER 51 Ca 0.34 -0.30 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 2wns h SER 51 Cb 0.09 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 2wns h SER 51 CO -0.14 0.97 0.20 1.56 -1.14 0.00 0.00 176.83 178.27 2wns h GLN 52 N 0.78 0.76 0.01 3.45 4.20 -0.89 0.12 115.11 123.54 2wns h GLN 52 Ca 0.15 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 2wns h GLN 52 Cb 0.50 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.16 2wns h GLN 52 CO 0.02 0.68 -0.00 0.28 -0.67 0.00 0.00 178.83 179.14 2wns h VAL 53 N 0.68 1.01 -0.72 -0.54 2.07 -1.07 -1.06 116.25 116.62 2wns h VAL 53 Ca 0.17 -0.05 0.11 0.00 0.82 0.00 0.00 66.70 67.74 2wns h VAL 53 Cb 0.21 1.05 -0.08 0.00 -1.52 0.00 0.00 31.29 30.95 2wns h VAL 53 CO -0.01 0.01 0.34 0.00 0.02 0.00 0.00 177.57 177.93 2wns h ALA 54 N 0.96 1.00 -0.36 1.67 0.00 -0.79 -1.97 119.26 119.76 2wns h ALA 54 Ca -0.00 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 2wns h ALA 54 Cb 0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2wns h ALA 54 CO 0.00 -0.10 -0.36 -0.44 0.00 0.00 0.00 179.25 178.36 2wns h ASP 55 N 0.55 0.89 -0.15 0.00 3.32 -0.32 -2.11 116.42 118.59 2wns h ASP 55 Ca 0.37 -0.39 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 2wns h ASP 55 Cb 0.45 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 2wns h ASP 55 CO -0.31 1.15 -0.26 -0.29 -1.72 0.00 0.00 179.24 177.81 2wns h ILE 56 N 0.70 1.27 -0.27 0.35 2.10 -0.94 0.03 117.51 120.74 2wns h ILE 56 Ca 0.07 -1.34 -0.04 0.00 1.08 0.00 0.00 64.86 64.63 2wns h ILE 56 Cb 0.92 1.32 -0.01 0.00 -1.09 0.00 0.00 36.82 37.96 2wns h ILE 56 CO 0.08 0.43 0.02 -0.07 -1.08 0.00 0.00 178.15 177.54 2wns h LEU 57 N 0.54 0.45 -0.49 2.19 3.38 -1.16 -1.86 115.31 118.36 2wns h LEU 57 Ca 0.07 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 2wns h LEU 57 Cb 0.73 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2wns h LEU 57 CO 0.06 0.62 0.14 0.15 0.09 0.00 0.00 178.44 179.49 2wns h PHE 58 N 0.26 0.80 -0.25 1.13 3.57 -1.22 -2.46 116.94 118.78 2wns h PHE 58 Ca 0.08 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2wns h PHE 58 Cb 0.37 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 2wns h PHE 58 CO 0.03 0.71 0.16 1.96 -2.23 0.00 0.00 178.31 178.94 2wns h GLN 59 N 0.66 0.32 -0.32 1.11 1.08 -0.95 -1.32 115.11 115.69 2wns h GLN 59 Ca 0.16 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.31 2wns h GLN 59 Cb 0.30 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 2wns h GLN 59 CO -0.00 0.21 0.10 1.15 -0.95 0.00 0.00 178.83 179.35 2wns h THR 60 N 0.33 1.20 -0.69 -0.54 2.02 -0.88 -0.69 112.91 113.66 2wns h THR 60 Ca 0.09 -0.64 0.03 0.00 0.77 0.00 0.00 66.41 66.66 2wns h THR 60 Cb -0.04 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.35 2wns h THR 60 CO -0.02 0.22 0.43 0.00 0.37 0.00 0.00 175.52 176.52 2wns h ALA 61 N 0.94 0.90 -0.51 6.16 0.00 -1.11 -2.44 119.26 123.20 2wns h ALA 61 Ca 0.10 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 2wns h ALA 61 Cb 0.24 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2wns h ALA 61 CO -0.00 0.19 -0.09 1.96 0.00 0.00 0.00 179.25 181.30 2wns h GLN 62 N 0.83 0.94 0.00 0.00 1.08 -0.99 -2.43 115.11 114.54 2wns h GLN 62 Ca 0.28 -0.32 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 2wns h GLN 62 Cb 0.04 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.40 2wns h GLN 62 CO -0.12 0.98 0.00 -0.91 -0.95 0.00 0.00 178.83 177.84 2wns h ASN 63 N 0.84 0.00 1.17 1.46 2.35 -0.99 -2.67 115.58 117.74 2wns h ASN 63 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2wns h ASN 63 Cb 0.62 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.99 2wns h ASN 63 CO 0.04 0.00 -0.20 0.00 -1.65 0.00 0.00 177.43 175.63 2wns n ALA 64 N -2.07 2.54 -1.51 -0.83 0.00 -0.93 -4.95 120.51 112.76 2wns n ALA 64 Ca 0.02 -0.12 -0.13 0.00 0.00 0.00 0.00 53.44 53.21 2wns n ALA 64 Cb 0.36 -1.37 -0.05 0.00 0.00 0.00 0.00 19.45 18.39 2wns n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wns n GLY 65 N 1.36 1.10 3.86 0.00 0.00 -1.01 -5.00 105.19 105.50 2wns n GLY 65 Ca 0.05 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 2wns n GLY 65 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2wns s ILE 66 N -2.49 4.62 0.09 -0.61 -4.36 -1.23 -5.07 121.20 112.16 2wns s ILE 66 Ca 0.00 0.87 0.09 0.00 -0.26 0.00 0.00 60.65 61.36 2wns s ILE 66 Cb 0.00 -3.81 -0.03 0.00 1.25 0.00 0.00 42.46 39.87 2wns s ILE 66 CO 0.00 -1.09 -0.24 -0.94 0.24 0.00 0.00 174.94 172.90 2wns s SER 67 N -4.08 2.96 0.15 4.36 1.04 -1.26 -4.88 113.70 112.00 2wns s SER 67 Ca 0.56 -0.66 -0.22 0.00 0.48 0.00 0.00 55.95 56.10 2wns s SER 67 Cb -0.11 -0.21 0.06 0.00 0.10 0.00 0.00 66.02 65.86 2wns s SER 67 CO 0.53 0.17 0.57 0.72 0.98 0.00 0.00 173.24 176.21 2wns s PHE 68 N -0.98 -0.49 -0.17 5.02 -0.12 -1.26 -4.98 117.98 115.00 2wns s PHE 68 Ca 0.11 0.27 0.15 0.00 -0.05 0.00 0.00 56.93 57.41 2wns s PHE 68 Cb -0.10 0.52 -0.21 0.00 -0.63 0.00 0.00 43.02 42.60 2wns s PHE 68 CO 0.04 -0.83 0.06 -0.25 -0.05 0.00 0.00 175.22 174.19 2wns n ASP 69 N -0.35 0.81 -4.10 1.98 8.00 0.91 -4.99 116.55 118.81 2wns n ASP 69 Ca -0.17 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.23 2wns n ASP 69 Cb 0.65 0.93 -0.08 0.00 -0.02 0.00 0.00 41.12 42.60 2wns n ASP 69 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2wns s THR 70 N -2.42 0.00 0.02 -3.53 -1.32 -0.91 -4.42 115.64 103.07 2wns s THR 70 Ca -0.08 -1.71 0.04 0.00 -1.21 0.00 0.00 61.69 58.73 2wns s THR 70 Cb 0.05 -2.33 -0.02 0.00 -1.51 0.00 0.00 72.50 68.69 2wns s THR 70 CO 0.70 -0.02 -0.12 -0.69 -2.21 0.00 0.00 174.62 172.28 2wns s VAL 71 N -4.09 0.93 -0.03 5.08 1.01 -1.09 -1.17 120.40 121.04 2wns s VAL 71 Ca 0.30 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 2wns s VAL 71 Cb 0.03 -0.83 0.03 0.00 0.00 0.00 0.00 36.38 35.62 2wns s VAL 71 CO 0.10 0.08 0.06 0.00 0.00 0.00 0.00 175.10 175.34 2wns s GLY 73 N 1.27 2.80 0.05 0.00 0.00 -1.26 -1.05 107.32 109.12 2wns s GLY 73 Ca -0.07 0.43 -0.31 0.00 0.00 0.00 0.00 44.72 44.78 2wns s GLY 73 CO -0.04 0.87 1.50 0.14 0.00 0.00 0.00 173.10 175.58 2wns s VAL 74 N -1.51 3.37 0.36 1.40 1.01 0.04 -4.62 120.40 120.44 2wns s VAL 74 Ca 0.46 0.82 -0.27 0.00 0.00 0.00 0.00 61.98 62.99 2wns s VAL 74 Cb -0.19 -3.53 -0.12 0.00 0.00 0.00 0.00 36.38 32.54 2wns s VAL 74 CO 0.24 0.01 1.25 -2.65 0.00 0.00 0.00 175.10 173.94 2wns n PRO 75 N 5.24 1.97 -0.00 2.72 -0.02 -1.26 -3.73 135.00 139.92 2wns n PRO 75 Ca 0.14 0.70 -0.00 0.00 -2.02 0.00 0.00 63.50 62.31 2wns n PRO 75 Cb 0.42 -2.29 -0.00 0.00 -0.02 0.00 0.00 33.50 31.61 2wns n PRO 75 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2wns n TYR 76 N 0.15 0.00 -0.04 6.00 4.01 -1.26 -4.85 117.16 121.16 2wns n TYR 76 Ca 0.06 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.92 2wns n TYR 76 Cb 0.37 -0.00 0.53 0.00 -0.31 0.00 0.00 39.34 39.92 2wns n TYR 76 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 2wns h THR 77 N 0.00 0.90 -0.00 -0.72 2.02 -1.99 -1.70 112.91 111.41 2wns h THR 77 Ca -0.00 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.06 2wns h THR 77 Cb 1.01 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 2wns h THR 77 CO -0.00 0.06 -0.08 0.00 0.37 0.00 0.00 175.52 175.87 2wns n ALA 78 N -2.53 2.56 -0.08 6.16 0.00 -1.24 -4.05 120.51 121.33 2wns n ALA 78 Ca 0.08 -0.15 -0.07 0.00 0.00 0.00 0.00 53.44 53.30 2wns n ALA 78 Cb 0.36 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.39 2wns n ALA 78 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wns h LEU 79 N 0.04 -0.24 -1.33 0.00 3.38 -1.48 -1.59 115.31 114.09 2wns h LEU 79 Ca 0.00 0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 2wns h LEU 79 Cb 0.46 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2wns h LEU 79 CO 0.00 -0.08 -0.33 1.55 0.09 0.00 0.00 178.44 179.67 2wns h PRO 80 N 0.02 0.00 -0.32 1.13 0.13 -1.80 -1.50 132.00 129.66 2wns h PRO 80 Ca 0.14 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2wns h PRO 80 Cb 0.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.32 2wns h PRO 80 CO -0.29 0.33 0.19 -0.07 -0.23 0.00 0.00 178.00 177.94 2wns h LEU 81 N 0.00 0.38 -0.85 1.56 3.38 -1.55 -0.42 115.31 117.81 2wns h LEU 81 Ca -0.00 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.92 2wns h LEU 81 Cb 0.60 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 2wns h LEU 81 CO 0.04 0.32 0.55 0.00 0.09 0.00 0.00 178.44 179.44 2wns h ALA 82 N 1.08 1.08 -0.81 1.53 0.00 -0.91 -1.02 119.26 120.21 2wns h ALA 82 Ca 0.11 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2wns h ALA 82 Cb 0.01 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.42 2wns h ALA 82 CO -0.02 0.50 0.50 1.15 0.00 0.00 0.00 179.25 181.38 2wns h THR 83 N 1.15 1.22 -0.09 0.00 2.02 -0.78 -0.46 112.91 115.97 2wns h THR 83 Ca 0.31 -0.45 -0.22 0.00 0.77 0.00 0.00 66.41 66.82 2wns h THR 83 Cb -0.11 0.07 0.01 0.00 -1.74 0.00 0.00 68.15 66.38 2wns h THR 83 CO -0.06 0.22 -0.79 0.58 0.37 0.00 0.00 175.52 175.83 2wns h VAL 84 N 1.10 1.30 -0.66 3.16 2.07 -0.37 -0.92 116.25 121.94 2wns h VAL 84 Ca 0.29 -2.03 0.10 0.00 0.82 0.00 0.00 66.70 65.87 2wns h VAL 84 Cb -0.07 2.18 -0.07 0.00 -1.52 0.00 0.00 31.29 31.80 2wns h VAL 84 CO -0.06 0.63 0.28 0.40 0.02 0.00 0.00 177.57 178.85 2wns h ILE 85 N 0.38 0.80 -0.19 4.57 2.04 -0.98 0.66 117.51 124.79 2wns h ILE 85 Ca -0.07 -0.17 -0.19 0.00 1.00 0.00 0.00 64.86 65.42 2wns h ILE 85 Cb 1.44 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 2wns h ILE 85 CO 0.16 0.09 -0.65 0.00 0.00 0.00 0.00 178.15 177.75 2wns h SER 87 N 0.51 0.07 -0.29 0.00 0.87 -0.95 0.13 113.55 113.90 2wns h SER 87 Ca -0.02 -0.41 -0.01 0.00 -1.23 0.00 0.00 61.79 60.12 2wns h SER 87 Cb 1.25 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.18 2wns h SER 87 CO 0.13 0.47 0.14 0.74 -0.53 0.00 0.00 176.83 177.78 2wns h THR 88 N -0.32 1.15 -0.37 2.23 2.02 -0.91 -3.22 112.91 113.49 2wns h THR 88 Ca 0.01 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.76 2wns h THR 88 Cb 0.44 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 2wns h THR 88 CO 0.00 0.15 0.00 0.59 0.37 0.00 0.00 175.52 176.64 2wns n ASN 89 N -4.79 3.31 -3.46 4.18 3.02 -0.67 -4.98 115.26 111.87 2wns n ASN 89 Ca -0.02 -1.97 -0.21 0.00 -0.03 0.00 0.00 54.58 52.35 2wns n ASN 89 Cb 0.10 -0.24 0.06 0.00 -0.61 0.00 0.00 39.78 39.09 2wns n ASN 89 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wns n GLN 90 N 1.39 -2.90 -5.05 3.52 1.13 0.33 -5.01 117.38 110.81 2wns n GLN 90 Ca 0.19 0.72 -0.32 0.00 -1.94 0.00 0.00 57.00 55.65 2wns n GLN 90 Cb 0.58 -5.28 -0.15 0.00 0.11 0.00 0.00 30.24 25.50 2wns n GLN 90 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2wns s ILE 91 N -3.45 2.54 0.42 5.09 1.01 -0.45 -5.05 121.20 121.30 2wns s ILE 91 Ca 0.34 -0.88 -0.26 0.00 0.00 0.00 0.00 60.65 59.85 2wns s ILE 91 Cb -0.07 -1.99 -0.09 0.00 0.01 0.00 0.00 42.46 40.32 2wns s ILE 91 CO 0.78 0.56 1.43 -2.84 0.00 0.00 0.00 174.94 174.88 2wns s PRO 92 N -0.08 3.88 0.07 2.79 0.02 -1.26 -4.65 135.00 135.77 2wns s PRO 92 Ca -0.04 2.44 0.07 0.00 0.02 0.00 0.00 61.00 63.49 2wns s PRO 92 Cb -0.14 -2.79 -0.04 0.00 0.02 0.00 0.00 34.50 31.55 2wns s PRO 92 CO 0.04 -0.67 -0.15 1.41 -0.33 0.00 0.00 177.00 177.30 2wns s MET 93 N -2.28 2.07 0.06 5.54 1.75 -1.26 -2.68 119.30 122.49 2wns s MET 93 Ca 0.57 -1.01 0.05 0.00 -1.25 0.00 0.00 55.69 54.06 2wns s MET 93 Cb -0.44 -2.23 -0.04 0.00 2.84 0.00 0.00 34.83 34.96 2wns s MET 93 CO 0.58 0.53 -0.07 -0.51 -0.65 0.00 0.00 175.02 174.90 2wns s LEU 94 N -1.75 3.17 -0.20 4.11 1.43 0.21 -4.61 118.68 121.04 2wns s LEU 94 Ca 0.17 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 2wns s LEU 94 Cb -0.11 -1.90 0.03 0.00 0.03 0.00 0.00 46.19 44.25 2wns s LEU 94 CO 0.08 0.22 -0.15 -0.63 0.23 0.00 0.00 176.35 176.11 2wns s ILE 95 N -1.14 1.91 -0.05 -0.59 1.01 -0.78 -4.30 121.20 117.27 2wns s ILE 95 Ca 0.20 -1.06 -0.30 0.00 0.00 0.00 0.00 60.65 59.50 2wns s ILE 95 Cb -0.11 -1.86 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 2wns s ILE 95 CO 0.12 0.32 1.30 -0.60 0.00 0.00 0.00 174.94 176.08 2wns s ARG 96 N 1.31 4.30 -0.52 2.79 3.52 -1.26 -0.10 118.95 128.99 2wns s ARG 96 Ca 0.01 1.80 -0.14 0.00 -0.13 0.00 0.00 55.73 57.27 2wns s ARG 96 Cb -0.15 -3.60 0.12 0.00 -1.56 0.00 0.00 34.95 29.76 2wns s ARG 96 CO -0.10 -0.54 0.45 1.03 -0.81 0.00 0.00 175.30 175.33 2wns s ARG 97 N 2.50 2.84 -0.22 5.12 1.81 0.17 -4.80 118.95 126.36 2wns s ARG 97 Ca 0.59 -1.71 -0.13 0.00 -1.72 0.00 0.00 55.73 52.77 2wns s ARG 97 Cb -0.27 -4.18 -0.04 0.00 -0.45 0.00 0.00 34.95 30.01 2wns s ARG 97 CO 0.23 -1.27 0.28 0.21 -0.68 0.00 0.00 175.30 174.07 2wns s LYS 98 N 1.53 4.13 0.00 3.54 2.20 -1.26 -4.78 119.74 125.09 2wns s LYS 98 Ca 0.04 -0.04 0.00 0.00 -0.36 0.00 0.00 55.97 55.61 2wns s LYS 98 Cb -0.29 -3.53 0.00 0.00 -1.51 0.00 0.00 37.83 32.50 2wns s LYS 98 CO 0.02 0.02 0.00 0.39 -0.36 0.00 0.00 175.35 175.42 2wns n GLU 99 N 4.35 0.54 -0.36 4.03 1.02 -1.26 -5.08 120.64 123.89 2wns n GLU 99 Ca -0.12 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.10 2wns n GLU 99 Cb 0.52 0.00 0.18 0.00 -0.02 0.00 0.00 31.44 32.11 2wns n GLU 99 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2wns n THR 100 N 0.00 2.08 -2.33 2.62 -2.24 -1.26 -4.97 114.28 108.18 2wns n THR 100 Ca 0.00 -2.74 -0.20 0.00 -2.27 0.00 0.00 64.05 58.84 2wns n THR 100 Cb 0.00 -0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 67.97 2wns n THR 100 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2wns n LYS 101 N -1.25 -1.73 -0.88 -0.78 5.02 -1.26 -4.99 118.16 112.29 2wns n LYS 101 Ca 0.18 0.98 -0.31 0.00 -2.02 0.00 0.00 58.31 57.15 2wns n LYS 101 Cb 0.68 -5.62 0.15 0.00 -0.02 0.00 0.00 35.03 30.23 2wns n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wns s ASP 102 N -2.10 3.16 0.21 4.39 -0.00 -1.26 -4.94 116.67 116.12 2wns s ASP 102 Ca 0.00 1.94 -0.32 0.00 -0.00 0.00 0.00 52.55 54.17 2wns s ASP 102 Cb 0.00 -2.48 -0.13 0.00 -0.00 0.00 0.00 42.92 40.31 2wns s ASP 102 CO 0.00 -2.91 1.61 0.00 -0.00 0.00 0.00 175.17 173.87 2wns n TYR 103 N -4.09 2.53 -0.62 4.23 9.36 -1.26 -2.73 117.16 124.57 2wns n TYR 103 Ca 0.10 0.21 0.00 0.00 3.32 0.00 0.00 57.90 61.53 2wns n TYR 103 Cb 0.53 -2.59 0.00 0.00 -0.63 0.00 0.00 39.34 36.65 2wns n TYR 103 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2wns n GLY 104 N 3.18 0.63 3.74 2.98 0.00 -1.26 -5.06 105.19 109.40 2wns n GLY 104 Ca 0.14 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 2wns n GLY 104 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wns s THR 105 N -2.00 2.69 0.00 2.61 -4.23 -1.11 -5.06 115.64 108.54 2wns s THR 105 Ca 0.00 0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.84 2wns s THR 105 Cb 0.00 -2.86 0.00 0.00 1.34 0.00 0.00 72.50 70.98 2wns s THR 105 CO 0.00 -0.19 0.00 0.29 -0.54 0.00 0.00 174.62 174.18 2wns n LYS 106 N -2.61 2.29 -0.96 3.99 5.02 -1.26 -5.08 118.16 119.54 2wns n LYS 106 Ca 0.12 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.09 2wns n LYS 106 Cb 0.51 0.00 0.14 0.00 -0.02 0.00 0.00 35.03 35.66 2wns n LYS 106 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2wns s ARG 107 N 0.02 1.45 0.16 1.97 1.70 -1.26 -4.93 118.95 118.04 2wns s ARG 107 Ca 0.00 1.59 0.15 0.00 -0.47 0.00 0.00 55.73 57.00 2wns s ARG 107 Cb 0.00 -1.77 -0.06 0.00 -0.57 0.00 0.00 34.95 32.55 2wns s ARG 107 CO 0.00 -2.32 1.14 -0.07 -1.08 0.00 0.00 175.30 172.97 2wns h LEU 108 N -1.34 0.00 -7.60 -1.89 4.07 -1.95 -3.44 115.31 103.15 2wns h LEU 108 Ca -0.44 0.00 -0.42 0.00 0.08 0.00 0.00 57.88 57.09 2wns h LEU 108 Cb 1.27 0.00 -0.36 0.00 1.08 0.00 0.00 40.66 42.65 2wns h LEU 108 CO 0.45 0.62 -0.77 -0.69 -1.08 0.00 0.00 178.44 176.97 2wns s VAL 109 N -2.90 0.45 0.26 1.22 1.01 -1.26 -0.66 120.40 118.53 2wns s VAL 109 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.99 2wns s VAL 109 Cb 0.08 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 2wns s VAL 109 CO 0.78 0.24 0.44 -1.61 0.00 0.00 0.00 175.10 174.96 2wns s GLU 110 N 1.46 3.50 0.00 2.72 2.02 0.86 -4.92 118.70 124.33 2wns s GLU 110 Ca -0.03 -0.39 0.00 0.00 0.02 0.00 0.00 54.97 54.57 2wns s GLU 110 Cb -0.13 -2.78 0.00 0.00 0.10 0.00 0.00 34.13 31.32 2wns s GLU 110 CO -0.03 0.32 0.00 0.41 0.02 0.00 0.00 175.26 175.98 2wns n GLY 111 N -1.17 0.98 3.64 -1.39 0.00 -1.26 -1.86 105.19 104.13 2wns n GLY 111 Ca -0.05 -2.07 -0.43 0.00 0.00 0.00 0.00 46.02 43.47 2wns n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wns s THR 112 N -1.55 4.48 -0.31 2.61 2.01 -1.26 -5.00 115.64 116.63 2wns s THR 112 Ca 0.00 1.71 -0.12 0.00 0.31 0.00 0.00 61.69 63.59 2wns s THR 112 Cb 0.00 -4.39 -0.03 0.00 0.01 0.00 0.00 72.50 68.09 2wns s THR 112 CO 0.00 -0.46 0.21 -0.63 -0.69 0.00 0.00 174.62 173.04 2wns s ILE 113 N 3.69 5.25 -0.49 1.82 1.01 -1.26 -5.00 121.20 126.23 2wns s ILE 113 Ca 0.46 -0.02 -0.03 0.00 0.00 0.00 0.00 60.65 61.06 2wns s ILE 113 Cb -0.13 -3.59 0.13 0.00 0.01 0.00 0.00 42.46 38.88 2wns s ILE 113 CO 0.16 0.13 0.30 0.20 0.00 0.00 0.00 174.94 175.73 2wns s ASN 114 N 1.74 5.27 0.27 3.58 0.02 -1.26 -5.08 114.94 119.48 2wns s ASN 114 Ca 0.07 -2.32 -0.29 0.00 -1.02 0.00 0.00 52.86 49.30 2wns s ASN 114 Cb -0.17 -1.85 -0.14 0.00 0.02 0.00 0.00 41.25 39.12 2wns s ASN 114 CO 0.10 -0.49 1.13 -2.65 0.02 0.00 0.00 177.10 175.22 2wns n PRO 115 N 4.22 1.53 0.00 -0.60 -0.02 -1.26 -0.86 135.00 138.01 2wns n PRO 115 Ca 0.01 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 2wns n PRO 115 Cb 0.40 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 2wns n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wns n GLY 116 N 1.43 3.21 3.77 -1.23 0.00 0.30 -4.98 105.19 107.69 2wns n GLY 116 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 2wns n GLY 116 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wns s GLU 117 N -0.50 2.52 -0.21 1.61 2.02 -0.04 -4.51 118.70 119.60 2wns s GLU 117 Ca 0.00 1.27 -0.09 0.00 0.02 0.00 0.00 54.97 56.16 2wns s GLU 117 Cb 0.00 -1.92 -0.05 0.00 0.10 0.00 0.00 34.13 32.26 2wns s GLU 117 CO 0.00 -1.45 0.12 0.99 0.02 0.00 0.00 175.26 174.94 2wns s THR 118 N -2.65 5.20 -0.19 3.63 2.01 -1.26 -0.91 115.64 121.47 2wns s THR 118 Ca 0.64 0.12 -0.05 0.00 0.31 0.00 0.00 61.69 62.71 2wns s THR 118 Cb -0.19 -3.38 -0.02 0.00 0.01 0.00 0.00 72.50 68.92 2wns s THR 118 CO 0.49 0.42 -0.01 0.00 -0.69 0.00 0.00 174.62 174.83 2wns s LEU 120 N 0.84 4.35 -0.04 0.00 2.96 -0.32 -4.42 118.68 122.05 2wns s LEU 120 Ca 0.00 1.37 -0.16 0.00 -0.22 0.00 0.00 54.13 55.12 2wns s LEU 120 Cb -0.14 -3.26 -0.05 0.00 0.50 0.00 0.00 46.19 43.23 2wns s LEU 120 CO 0.02 -0.15 0.44 -0.63 -1.32 0.00 0.00 176.35 174.70 2wns s ILE 121 N 0.80 5.07 -0.10 6.68 -1.09 -0.97 -1.28 121.20 130.31 2wns s ILE 121 Ca 0.42 0.89 0.03 0.00 -2.23 0.00 0.00 60.65 59.76 2wns s ILE 121 Cb -0.19 -3.76 -0.01 0.00 -1.58 0.00 0.00 42.46 36.92 2wns s ILE 121 CO 0.22 0.49 -0.18 -0.63 -1.23 0.00 0.00 174.94 173.60 2wns s ILE 122 N -0.46 2.60 0.03 2.92 -1.09 -0.21 -0.14 121.20 124.84 2wns s ILE 122 Ca 0.24 -0.84 0.00 0.00 -2.23 0.00 0.00 60.65 57.82 2wns s ILE 122 Cb -0.16 -2.03 -0.02 0.00 -1.58 0.00 0.00 42.46 38.66 2wns s ILE 122 CO 0.12 0.55 -0.04 -0.70 -1.23 0.00 0.00 174.94 173.65 2wns s GLU 123 N 0.13 0.40 -0.10 2.79 2.56 0.39 -0.78 118.70 124.08 2wns s GLU 123 Ca -0.09 -0.74 -0.02 0.00 0.00 0.00 0.00 54.97 54.12 2wns s GLU 123 Cb -0.16 0.06 -0.01 0.00 2.00 0.00 0.00 34.13 36.03 2wns s GLU 123 CO 0.06 -0.05 -0.04 0.38 -0.56 0.00 0.00 175.26 175.05 2wns h ASP 124 N 4.37 0.00 -3.58 -1.70 2.03 -1.92 -1.47 116.42 114.14 2wns h ASP 124 Ca -0.33 0.00 -0.45 0.00 -0.73 0.00 0.00 57.03 55.52 2wns h ASP 124 Cb 1.20 0.00 -0.33 0.00 -0.83 0.00 0.00 39.33 39.37 2wns h ASP 124 CO 0.45 0.52 -0.79 -0.69 -1.03 0.00 0.00 179.24 177.70 2wns s VAL 125 N -1.67 0.83 -0.14 4.15 1.01 -1.26 -1.07 120.40 122.24 2wns s VAL 125 Ca -0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 2wns s VAL 125 Cb 0.01 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 2wns s VAL 125 CO 0.05 0.28 -0.11 -0.69 0.00 0.00 0.00 175.10 174.63 2wns s VAL 126 N 0.56 3.22 0.00 2.92 1.01 -0.19 -5.00 120.40 122.92 2wns s VAL 126 Ca -0.09 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.29 2wns s VAL 126 Cb -0.13 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.88 2wns s VAL 126 CO 0.01 0.51 0.00 0.41 0.00 0.00 0.00 175.10 176.04 2wns n THR 127 N 3.63 0.00 0.21 3.92 -1.04 -1.26 -0.42 114.28 119.32 2wns n THR 127 Ca -0.18 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 61.91 2wns n THR 127 Cb 0.52 -0.26 0.46 0.00 -1.82 0.00 0.00 70.33 69.23 2wns n THR 127 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 2wns h SER 128 N 0.00 0.00 0.00 8.00 4.64 -1.93 -3.10 113.55 121.16 2wns h SER 128 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wns h SER 128 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2wns h SER 128 CO 0.00 0.28 0.00 0.61 -0.87 0.00 0.00 176.83 176.85 2wns n GLY 129 N -0.10 0.84 0.31 -0.77 0.00 -1.26 -3.63 105.19 100.57 2wns n GLY 129 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 2wns n GLY 129 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2wns h SER 130 N 0.00 1.06 -0.38 1.61 0.02 -1.95 -1.65 113.55 112.25 2wns h SER 130 Ca 0.00 -0.29 -0.00 0.00 -0.84 0.00 0.00 61.79 60.66 2wns h SER 130 Cb 0.00 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 2wns h SER 130 CO 0.00 1.08 0.23 0.28 -1.14 0.00 0.00 176.83 177.28 2wns h SER 131 N 0.99 0.46 -0.23 3.07 0.02 -1.98 -0.29 113.55 115.60 2wns h SER 131 Ca 0.18 -0.06 0.03 0.00 -0.84 0.00 0.00 61.79 61.11 2wns h SER 131 Cb 0.52 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 2wns h SER 131 CO 0.02 0.38 0.04 0.58 -1.14 0.00 0.00 176.83 176.72 2wns h VAL 132 N 0.50 0.89 -0.66 2.27 2.07 -1.91 -3.03 116.25 116.37 2wns h VAL 132 Ca 0.14 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 2wns h VAL 132 Cb 0.01 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 2wns h VAL 132 CO -0.03 0.02 0.29 0.25 0.02 0.00 0.00 177.57 178.13 2wns h LEU 133 N 0.13 0.86 -0.44 2.57 5.85 -0.94 -0.73 115.31 122.62 2wns h LEU 133 Ca 0.11 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.76 2wns h LEU 133 Cb 0.11 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 2wns h LEU 133 CO -0.14 0.75 0.20 -0.08 -0.34 0.00 0.00 178.44 178.83 2wns h GLU 134 N 0.94 0.38 -0.31 1.25 4.81 -0.94 -0.97 114.58 119.74 2wns h GLU 134 Ca 0.23 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.37 2wns h GLU 134 Cb 0.14 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2wns h GLU 134 CO -0.02 0.25 -0.06 1.15 -0.73 0.00 0.00 179.01 179.60 2wns h THR 135 N 0.40 1.28 -0.60 0.32 2.02 -1.30 -1.87 112.91 113.15 2wns h THR 135 Ca 0.20 -1.09 0.12 0.00 0.77 0.00 0.00 66.41 66.40 2wns h THR 135 Cb 0.14 1.35 -0.09 0.00 -1.74 0.00 0.00 68.15 67.81 2wns h THR 135 CO -0.16 0.35 0.08 0.58 0.37 0.00 0.00 175.52 176.74 2wns h VAL 136 N 0.37 0.58 -0.50 3.16 2.07 -0.85 -1.46 116.25 119.63 2wns h VAL 136 Ca 0.08 -0.07 -0.11 0.00 0.82 0.00 0.00 66.70 67.43 2wns h VAL 136 Cb 0.55 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 2wns h VAL 136 CO 0.03 0.04 -0.12 -0.33 0.02 0.00 0.00 177.57 177.21 2wns h GLU 137 N 0.20 0.92 -0.60 1.57 5.08 -0.95 0.76 114.58 121.56 2wns h GLU 137 Ca 0.32 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2wns h GLU 137 Cb 0.50 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 2wns h GLU 137 CO -0.45 0.98 0.33 0.28 -1.00 0.00 0.00 179.01 179.16 2wns h VAL 138 N 0.82 1.19 -0.40 3.13 2.07 -1.03 -0.08 116.25 121.96 2wns h VAL 138 Ca 0.13 -0.48 -0.15 0.00 0.82 0.00 0.00 66.70 67.02 2wns h VAL 138 Cb 0.65 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 2wns h VAL 138 CO 0.05 0.21 -0.35 -0.07 0.02 0.00 0.00 177.57 177.42 2wns h LEU 139 N 0.81 0.99 -0.61 2.57 3.38 -0.74 -2.21 115.31 119.50 2wns h LEU 139 Ca 0.21 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2wns h LEU 139 Cb 0.04 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 2wns h LEU 139 CO -0.03 1.24 0.40 1.56 0.09 0.00 0.00 178.44 181.69 2wns h GLN 140 N 0.76 0.81 -0.33 1.13 4.20 -0.73 -1.41 115.11 119.53 2wns h GLN 140 Ca 0.07 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 2wns h GLN 140 Cb 0.94 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.53 2wns h GLN 140 CO 0.09 0.54 0.18 0.87 -0.67 0.00 0.00 178.83 179.84 2wns h LYS 141 N 0.83 0.45 -0.00 1.46 1.57 -0.76 -0.11 116.57 120.00 2wns h LYS 141 Ca 0.22 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2wns h LYS 141 Cb -0.08 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.13 2wns h LYS 141 CO -0.05 0.34 -0.02 0.39 -0.57 0.00 0.00 179.45 179.54 2wns n GLU 142 N -4.45 0.44 0.00 3.15 -0.58 -0.77 -4.91 120.64 113.52 2wns n GLU 142 Ca 0.02 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2wns n GLU 142 Cb 0.10 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.47 2wns n GLU 142 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wns n GLY 143 N 1.29 0.89 3.83 0.62 0.00 -0.05 -4.78 105.19 106.99 2wns n GLY 143 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 2wns n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wns s LEU 144 N 0.00 4.06 0.10 0.99 1.43 -0.73 -0.54 118.68 123.99 2wns s LEU 144 Ca 0.00 1.51 -0.22 0.00 -1.03 0.00 0.00 54.13 54.39 2wns s LEU 144 Cb 0.00 -4.23 -0.07 0.00 0.03 0.00 0.00 46.19 41.92 2wns s LEU 144 CO 0.00 -0.24 0.67 -0.75 0.23 0.00 0.00 176.35 176.26 2wns s LYS 145 N -2.90 4.38 -0.05 1.70 2.20 -0.09 -3.99 119.74 120.98 2wns s LYS 145 Ca 0.56 0.92 0.00 0.00 -0.36 0.00 0.00 55.97 57.10 2wns s LYS 145 Cb -0.11 -3.27 0.02 0.00 -1.51 0.00 0.00 37.83 32.97 2wns s LYS 145 CO 0.16 0.55 -0.03 0.08 -0.36 0.00 0.00 175.35 175.76 2wns s VAL 146 N -0.93 0.46 0.00 4.02 1.01 -1.26 -1.28 120.40 122.41 2wns s VAL 146 Ca 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.27 2wns s VAL 146 Cb -0.21 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.64 2wns s VAL 146 CO 0.22 0.23 0.00 0.35 0.00 0.00 0.00 175.10 175.90 2wns n THR 147 N 4.38 0.00 -3.87 3.92 -2.24 -1.26 -4.78 114.28 110.42 2wns n THR 147 Ca -0.20 -0.14 -0.11 0.00 -2.27 0.00 0.00 64.05 61.33 2wns n THR 147 Cb 0.51 0.61 -0.12 0.00 -2.10 0.00 0.00 70.33 69.23 2wns n THR 147 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2wns s ASP 148 N -1.09 -0.02 -0.03 3.42 1.01 -1.26 -0.99 116.67 117.71 2wns s ASP 148 Ca 0.00 -0.02 0.03 0.00 0.71 0.00 0.00 52.55 53.27 2wns s ASP 148 Cb 0.00 0.20 0.00 0.00 1.01 0.00 0.00 42.92 44.13 2wns s ASP 148 CO 0.00 -0.18 -0.12 0.00 0.21 0.00 0.00 175.17 175.08 2wns s ALA 149 N -0.60 1.12 -0.15 5.23 0.00 -0.05 -2.29 121.76 125.01 2wns s ALA 149 Ca -0.07 -0.47 -0.03 0.00 0.00 0.00 0.00 51.96 51.39 2wns s ALA 149 Cb -0.04 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 2wns s ALA 149 CO 0.00 0.20 -0.05 0.42 0.00 0.00 0.00 175.76 176.33 2wns s ILE 150 N 0.11 3.76 -0.01 0.00 -1.09 0.80 0.20 121.20 124.97 2wns s ILE 150 Ca -0.03 -0.41 0.06 0.00 -2.23 0.00 0.00 60.65 58.04 2wns s ILE 150 Cb -0.09 -2.64 -0.01 0.00 -1.58 0.00 0.00 42.46 38.13 2wns s ILE 150 CO 0.01 0.50 -0.18 0.54 -1.23 0.00 0.00 174.94 174.58 2wns s VAL 151 N 0.33 1.41 -0.01 2.92 0.11 0.09 -0.47 120.40 124.79 2wns s VAL 151 Ca -0.05 -0.78 -0.25 0.00 -2.93 0.00 0.00 61.98 57.98 2wns s VAL 151 Cb -0.14 -1.18 -0.18 0.00 -1.53 0.00 0.00 36.38 33.35 2wns s VAL 151 CO 0.03 0.39 1.22 0.25 -3.33 0.00 0.00 175.10 173.67 2wns h LEU 152 N 5.67 -0.15 -7.92 2.54 5.85 -1.07 0.11 115.31 120.35 2wns h LEU 152 Ca -0.37 -0.33 -0.62 0.00 0.84 0.00 0.00 57.88 57.40 2wns h LEU 152 Cb 1.15 0.04 -0.36 0.00 0.37 0.00 0.00 40.66 41.86 2wns h LEU 152 CO 0.48 0.27 -0.83 -0.22 -0.34 0.00 0.00 178.44 177.80 2wns s LEU 153 N -9.35 1.96 -0.32 2.25 2.96 -0.23 -1.07 118.68 114.88 2wns s LEU 153 Ca -0.15 -0.63 -0.12 0.00 -0.22 0.00 0.00 54.13 53.01 2wns s LEU 153 Cb 0.02 -1.28 -0.03 0.00 0.50 0.00 0.00 46.19 45.40 2wns s LEU 153 CO 0.60 -0.06 0.22 -0.62 -1.32 0.00 0.00 176.35 175.17 2wns s ASP 154 N 1.41 6.01 0.00 3.68 2.15 -0.14 -1.03 116.67 128.76 2wns s ASP 154 Ca 0.03 -0.31 0.28 0.00 0.43 0.00 0.00 52.55 52.98 2wns s ASP 154 Cb -0.14 -2.12 1.41 0.00 -0.30 0.00 0.00 42.92 41.77 2wns s ASP 154 CO -0.11 -0.18 1.95 0.54 -0.17 0.00 0.00 175.17 177.20 2wns n ARG 155 N 5.08 0.42 -3.25 4.34 1.74 0.44 -1.67 116.66 123.77 2wns n ARG 155 Ca -0.13 0.02 -0.16 0.00 -0.77 0.00 0.00 57.85 56.82 2wns n ARG 155 Cb 0.50 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.51 2wns n ARG 155 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2wns n GLU 156 N -1.27 -5.82 -2.04 5.56 1.02 -1.26 -4.70 120.64 112.13 2wns n GLU 156 Ca 0.14 0.69 -0.25 0.00 -0.02 0.00 0.00 57.16 57.72 2wns n GLU 156 Cb 0.21 -5.28 0.02 0.00 -0.02 0.00 0.00 31.44 26.37 2wns n GLU 156 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2wns n GLN 157 N -3.78 3.55 -0.51 3.49 7.27 -1.25 -4.75 117.38 121.40 2wns n GLN 157 Ca -0.16 -4.16 0.00 0.00 0.07 0.00 0.00 57.00 52.75 2wns n GLN 157 Cb 0.61 -2.28 0.00 0.00 2.41 0.00 0.00 30.24 30.98 2wns n GLN 157 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2wns n GLY 158 N -0.69 0.75 0.16 1.69 0.00 -1.26 -4.23 105.19 101.61 2wns n GLY 158 Ca 0.44 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.40 2wns n GLY 158 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wns h GLY 159 N 0.00 0.49 0.99 -0.02 0.00 -1.60 -1.36 103.07 101.56 2wns h GLY 159 Ca 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.25 2wns h GLY 159 CO 0.00 0.04 0.23 1.70 0.00 0.00 0.00 176.54 178.51 2wns h LYS 160 N 0.31 0.45 -0.11 4.80 3.64 -1.90 -1.19 116.57 122.57 2wns h LYS 160 Ca 0.17 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 2wns h LYS 160 Cb 0.13 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2wns h LYS 160 CO -0.16 0.30 0.02 -0.44 -2.27 0.00 0.00 179.45 176.89 2wns h ASP 161 N 0.46 0.18 -0.73 4.20 3.32 -1.90 0.86 116.42 122.81 2wns h ASP 161 Ca 0.13 -0.26 0.10 0.00 0.02 0.00 0.00 57.03 57.02 2wns h ASP 161 Cb -0.04 -0.05 -0.08 0.00 0.22 0.00 0.00 39.33 39.38 2wns h ASP 161 CO -0.03 0.40 0.36 0.50 -1.72 0.00 0.00 179.24 178.74 2wns h LYS 162 N -0.05 0.57 -0.17 3.56 3.64 -1.15 0.33 116.57 123.31 2wns h LYS 162 Ca 0.03 -0.03 -0.18 0.00 -1.27 0.00 0.00 60.65 59.19 2wns h LYS 162 Cb 0.29 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2wns h LYS 162 CO 0.00 0.38 -0.62 -0.07 -2.27 0.00 0.00 179.45 176.87 2wns h LEU 163 N 0.59 0.83 -1.18 5.20 3.38 -1.01 -2.89 115.31 120.24 2wns h LEU 163 Ca 0.37 -0.61 0.04 0.00 0.09 0.00 0.00 57.88 57.77 2wns h LEU 163 Cb 0.43 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 2wns h LEU 163 CO -0.29 1.30 0.57 -0.61 0.09 0.00 0.00 178.44 179.49 2wns h GLN 164 N 0.41 1.03 0.00 1.13 4.15 -0.26 -0.41 115.11 121.16 2wns h GLN 164 Ca -0.03 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.33 2wns h GLN 164 Cb 1.25 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.70 2wns h GLN 164 CO 0.13 0.68 0.00 0.00 -1.93 0.00 0.00 178.83 177.71 2wns h ALA 165 N 1.50 1.00 -0.07 3.38 0.00 -0.72 -0.88 119.26 123.47 2wns h ALA 165 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2wns h ALA 165 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2wns h ALA 165 CO -0.11 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.86 2wns n HIS 166 N -2.31 0.18 -0.65 0.00 8.25 -0.40 -4.98 115.22 115.31 2wns n HIS 166 Ca -0.01 -0.83 0.00 0.00 -0.26 0.00 0.00 57.72 56.62 2wns n HIS 166 Cb 0.07 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.04 2wns n HIS 166 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wns n GLY 167 N -0.93 0.64 3.39 -1.41 0.00 -0.33 -5.04 105.19 101.50 2wns n GLY 167 Ca 0.13 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 2wns n GLY 167 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wns s ILE 168 N -2.00 3.11 -0.29 -0.61 -1.09 -0.30 -4.69 121.20 115.33 2wns s ILE 168 Ca 0.00 -0.64 -0.15 0.00 -2.23 0.00 0.00 60.65 57.63 2wns s ILE 168 Cb 0.00 -2.30 -0.03 0.00 -1.58 0.00 0.00 42.46 38.54 2wns s ILE 168 CO 0.00 0.53 0.36 -0.60 -1.23 0.00 0.00 174.94 174.00 2wns s ARG 169 N 0.29 3.92 -0.14 2.79 3.52 -0.16 -2.09 118.95 127.07 2wns s ARG 169 Ca -0.09 -0.08 -0.24 0.00 -0.13 0.00 0.00 55.73 55.19 2wns s ARG 169 Cb -0.16 -3.69 -0.02 0.00 -1.56 0.00 0.00 34.95 29.52 2wns s ARG 169 CO 0.05 -0.33 0.75 -1.17 -0.81 0.00 0.00 175.30 173.80 2wns s LEU 170 N 2.05 4.21 -0.18 -0.88 2.96 -1.26 -0.88 118.68 124.71 2wns s LEU 170 Ca 0.14 1.11 -0.04 0.00 -0.22 0.00 0.00 54.13 55.12 2wns s LEU 170 Cb -0.16 -3.12 -0.02 0.00 0.50 0.00 0.00 46.19 43.39 2wns s LEU 170 CO 0.10 -0.29 -0.03 -1.00 -1.32 0.00 0.00 176.35 173.82 2wns s HIS 171 N 1.68 3.00 -0.07 5.38 3.76 0.13 -4.96 115.29 124.21 2wns s HIS 171 Ca 0.36 -0.48 0.01 0.00 -0.15 0.00 0.00 55.06 54.80 2wns s HIS 171 Cb -0.17 -2.02 -0.03 0.00 1.11 0.00 0.00 32.58 31.48 2wns s HIS 171 CO 0.14 -0.20 -0.10 -1.54 -0.85 0.00 0.00 174.74 172.19 2wns s SER 172 N 0.76 4.41 0.09 1.40 1.04 -1.26 -0.73 113.70 119.41 2wns s SER 172 Ca -0.01 -0.11 -0.15 0.00 0.48 0.00 0.00 55.95 56.16 2wns s SER 172 Cb -0.14 -1.14 -0.10 0.00 0.10 0.00 0.00 66.02 64.73 2wns s SER 172 CO 0.02 0.33 1.39 0.58 0.98 0.00 0.00 173.24 176.54 2wns h VAL 173 N 4.43 1.31 -3.05 5.02 2.07 -0.75 -3.47 116.25 121.81 2wns h VAL 173 Ca -0.45 -1.51 -0.11 0.00 0.82 0.00 0.00 66.70 65.46 2wns h VAL 173 Cb 1.17 1.68 -0.19 0.00 -1.52 0.00 0.00 31.29 32.43 2wns h VAL 173 CO 0.53 0.48 -0.24 0.00 0.02 0.00 0.00 177.57 178.35 2wns s THR 175 N -1.64 4.64 0.30 0.00 -4.23 -1.26 -0.96 115.64 112.48 2wns s THR 175 Ca -0.11 -1.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.39 2wns s THR 175 Cb -0.04 -3.62 0.23 0.00 1.34 0.00 0.00 72.50 70.40 2wns s THR 175 CO 0.03 -0.24 1.93 0.25 -0.54 0.00 0.00 174.62 176.04 2wns h LEU 176 N 1.03 0.86 0.55 4.79 5.85 -1.60 -0.58 115.31 126.22 2wns h LEU 176 Ca -0.49 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.15 2wns h LEU 176 Cb 1.24 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 2wns h LEU 176 CO 0.57 0.69 -0.39 0.28 -0.34 0.00 0.00 178.44 179.25 2wns h SER 177 N 0.97 -0.99 -0.60 1.25 0.02 -1.91 -1.20 113.55 111.09 2wns h SER 177 Ca 0.25 0.07 0.10 0.00 -0.84 0.00 0.00 61.79 61.37 2wns h SER 177 Cb 0.02 0.30 -0.08 0.00 0.14 0.00 0.00 62.40 62.79 2wns h SER 177 CO -0.04 -0.58 0.18 0.50 -1.14 0.00 0.00 176.83 175.75 2wns h LYS 178 N -0.91 0.32 -0.70 3.45 1.63 -1.92 -2.45 116.57 116.00 2wns h LYS 178 Ca -0.06 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.67 2wns h LYS 178 Cb 0.75 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.28 2wns h LYS 178 CO 0.04 0.21 0.27 1.98 -3.45 0.00 0.00 179.45 178.50 2wns h MET 179 N 0.33 1.04 -0.58 1.90 4.05 -0.81 -0.89 114.93 119.97 2wns h MET 179 Ca 0.31 -0.18 -0.04 0.00 -0.28 0.00 0.00 59.70 59.51 2wns h MET 179 Cb 0.42 -0.17 -0.03 0.00 -0.80 0.00 0.00 31.60 31.03 2wns h MET 179 CO -0.35 0.85 0.21 -0.07 0.23 0.00 0.00 176.91 177.79 2wns h LEU 180 N 1.02 0.78 -0.15 3.39 3.38 -0.89 -0.38 115.31 122.46 2wns h LEU 180 Ca 0.23 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2wns h LEU 180 Cb 0.21 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2wns h LEU 180 CO -0.02 0.71 0.00 -0.33 0.09 0.00 0.00 178.44 178.89 2wns h GLU 181 N 0.83 0.26 -0.48 1.13 5.08 -0.88 -1.24 114.58 119.28 2wns h GLU 181 Ca 0.20 -0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.51 2wns h GLU 181 Cb 0.19 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 2wns h GLU 181 CO -0.02 0.49 0.25 0.82 -1.00 0.00 0.00 179.01 179.55 2wns h ILE 182 N 0.00 0.97 -0.70 3.13 2.04 -1.04 -0.94 117.51 120.97 2wns h ILE 182 Ca 0.04 -0.17 0.04 0.00 1.00 0.00 0.00 64.86 65.78 2wns h ILE 182 Cb 0.37 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 2wns h ILE 182 CO 0.01 0.09 0.46 -0.07 0.00 0.00 0.00 178.15 178.64 2wns h LEU 183 N 0.48 0.71 0.28 1.44 3.38 -0.93 -1.71 115.31 118.96 2wns h LEU 183 Ca 0.21 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 2wns h LEU 183 Cb 0.11 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2wns h LEU 183 CO -0.14 0.48 -0.13 -0.08 0.09 0.00 0.00 178.44 178.66 2wns h GLU 184 N 0.82 -0.36 -0.93 1.13 4.81 -0.47 -1.27 114.58 118.31 2wns h GLU 184 Ca 0.28 0.02 0.27 0.00 -0.13 0.00 0.00 59.36 59.81 2wns h GLU 184 Cb 0.11 0.08 -0.16 0.00 0.63 0.00 0.00 28.75 29.41 2wns h GLU 184 CO -0.08 -0.03 0.19 0.37 -0.73 0.00 0.00 179.01 178.73 2wns h GLN 185 N -0.75 0.10 -0.40 1.92 5.75 -0.95 0.66 115.11 121.44 2wns h GLN 185 Ca -0.04 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 2wns h GLN 185 Cb 0.50 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.03 2wns h GLN 185 CO 0.06 0.07 0.00 1.04 -2.65 0.00 0.00 178.83 177.35 2wns n GLN 186 N -5.33 1.37 -3.11 1.69 6.02 -0.67 -4.90 117.38 112.45 2wns n GLN 186 Ca 0.24 -0.42 -0.19 0.00 -0.01 0.00 0.00 57.00 56.62 2wns n GLN 186 Cb 0.79 -1.27 -0.01 0.00 1.02 0.00 0.00 30.24 30.77 2wns n GLN 186 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 2wns n LYS 187 N -0.08 -3.04 0.00 -1.09 -0.00 0.23 -4.83 118.16 109.35 2wns n LYS 187 Ca 0.04 0.46 0.11 0.00 -0.00 0.00 0.00 58.31 58.92 2wns n LYS 187 Cb 0.20 -5.12 0.06 0.00 -0.00 0.00 0.00 35.03 30.16 2wns n LYS 187 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2wns n LYS 188 N -3.43 0.02 -3.75 -1.58 4.76 -0.49 -4.91 118.16 108.78 2wns n LYS 188 Ca -0.04 -0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.27 2wns n LYS 188 Cb 0.55 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 32.13 2wns n LYS 188 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2wns s VAL 189 N -3.01 -0.01 0.79 -0.18 0.11 -1.21 -5.01 120.40 111.88 2wns s VAL 189 Ca 0.09 0.02 -0.12 0.00 -2.93 0.00 0.00 61.98 59.04 2wns s VAL 189 Cb 0.17 -0.48 0.06 0.00 -1.53 0.00 0.00 36.38 34.60 2wns s VAL 189 CO 0.79 0.01 1.12 1.51 -3.33 0.00 0.00 175.10 175.20 2wns s ASP 190 N 0.38 4.65 0.16 3.54 1.47 -1.26 -4.42 116.67 121.19 2wns s ASP 190 Ca -0.02 1.08 0.17 0.00 1.18 0.00 0.00 52.55 54.97 2wns s ASP 190 Cb -0.04 -1.76 0.78 0.00 -0.34 0.00 0.00 42.92 41.56 2wns s ASP 190 CO -0.02 -1.85 1.53 0.00 0.68 0.00 0.00 175.17 175.52 2wns n ALA 191 N -3.32 1.46 -0.04 2.11 0.00 -1.26 -2.32 120.51 117.14 2wns n ALA 191 Ca 0.07 0.06 -0.00 0.00 0.00 0.00 0.00 53.44 53.57 2wns n ALA 191 Cb 0.58 -1.28 -0.00 0.00 0.00 0.00 0.00 19.45 18.75 2wns n ALA 191 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2wns h GLU 192 N 0.00 0.00 0.00 0.00 4.22 -2.00 -3.28 114.58 113.51 2wns h GLU 192 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 2wns h GLU 192 Cb 0.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 2wns h GLU 192 CO 0.00 0.00 -0.05 1.79 -2.18 0.00 0.00 179.01 178.57 2wns h THR 193 N -0.73 0.39 0.22 0.32 1.35 -1.94 0.29 112.91 112.80 2wns h THR 193 Ca 0.00 -0.28 -0.01 0.00 -0.55 0.00 0.00 66.41 65.57 2wns h THR 193 Cb 0.00 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.62 2wns h THR 193 CO 0.00 0.05 -0.11 -0.37 -0.25 0.00 0.00 175.52 174.85 2wns h VAL 194 N 0.00 0.81 -0.14 6.82 -1.51 -1.63 -1.35 116.25 119.25 2wns h VAL 194 Ca -0.00 -0.11 0.01 0.00 -1.23 0.00 0.00 66.70 65.37 2wns h VAL 194 Cb 0.19 0.87 -0.01 0.00 -2.13 0.00 0.00 31.29 30.21 2wns h VAL 194 CO 0.01 0.02 0.04 1.23 -1.23 0.00 0.00 177.57 177.64 2wns h GLY 195 N -0.35 0.16 -0.00 5.19 0.00 -1.07 -0.07 103.07 106.92 2wns h GLY 195 Ca -0.03 -0.03 0.09 0.00 0.00 0.00 0.00 47.33 47.37 2wns h GLY 195 CO 0.05 0.02 -0.17 -0.09 0.00 0.00 0.00 176.54 176.35 2wns h ARG 196 N 0.11 -0.06 -0.52 4.80 2.43 -1.12 0.13 114.38 120.15 2wns h ARG 196 Ca 0.06 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.13 2wns h ARG 196 Cb 0.04 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 2wns h ARG 196 CO -0.06 -0.04 -0.09 0.28 -1.51 0.00 0.00 179.97 178.55 2wns h VAL 197 N -0.07 1.26 0.06 0.20 2.07 -0.93 -1.56 116.25 117.29 2wns h VAL 197 Ca 0.22 -1.21 0.01 0.00 0.82 0.00 0.00 66.70 66.54 2wns h VAL 197 Cb 0.40 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2wns h VAL 197 CO -0.50 0.42 -0.10 0.11 0.02 0.00 0.00 177.57 177.52 2wns h LYS 198 N 0.85 -0.20 -0.99 1.57 1.57 -0.16 -1.69 116.57 117.53 2wns h LYS 198 Ca 0.14 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.05 2wns h LYS 198 Cb 0.62 0.05 -0.08 0.00 0.08 0.00 0.00 32.23 32.89 2wns h LYS 198 CO 0.04 -0.13 0.62 0.00 -0.57 0.00 0.00 179.45 179.41 2wns h ARG 199 N -0.21 0.96 -0.35 3.15 3.08 -0.68 -0.65 114.38 119.69 2wns h ARG 199 Ca 0.02 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2wns h ARG 199 Cb 0.22 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 2wns h ARG 199 CO -0.06 0.64 0.17 0.35 -1.07 0.00 0.00 179.97 180.00 2wns h PHE 200 N 0.99 0.47 0.06 3.04 3.57 -0.43 -2.62 116.94 122.02 2wns h PHE 200 Ca 0.48 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.98 2wns h PHE 200 Cb 0.46 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.04 2wns h PHE 200 CO -0.01 0.35 -0.03 0.82 -2.23 0.00 0.00 178.31 177.22 2wns h ILE 201 N 0.48 1.13 -0.82 1.41 2.04 -0.27 -0.07 117.51 121.42 2wns h ILE 201 Ca 0.12 -0.64 0.02 0.00 1.00 0.00 0.00 64.86 65.36 2wns h ILE 201 Cb 0.06 1.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 2wns h ILE 201 CO -0.02 0.16 0.53 0.06 0.00 0.00 0.00 178.15 178.89 2wns h GLN 202 N -0.36 1.03 -0.69 2.37 -0.00 -1.55 -2.67 115.11 113.24 2wns h GLN 202 Ca -0.01 -0.06 0.10 0.00 -0.00 0.00 0.00 58.65 58.68 2wns h GLN 202 Cb 0.32 -0.23 -0.08 0.00 -0.00 0.00 0.00 27.48 27.49 2wns h GLN 202 CO 0.01 0.68 0.31 0.93 -0.00 0.00 0.00 178.83 180.76 2wns h GLU 203 N 1.06 0.50 0.00 0.06 5.08 -1.36 -2.99 114.58 116.93 2wns h GLU 203 Ca 0.31 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.58 2wns h GLU 203 Cb -0.06 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 2wns h GLU 203 CO -0.09 0.33 -0.31 0.00 -1.00 0.00 0.00 179.01 177.94 2wns h ALA 204 N 1.45 1.09 0.00 3.43 0.00 -0.67 -2.29 119.26 122.27 2wns h ALA 204 Ca 0.35 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2wns h ALA 204 Cb 0.42 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2wns h ALA 204 CO -0.31 0.39 0.00 -2.39 0.00 0.00 0.00 179.25 176.94 2wns n HIS 205 N -3.59 0.13 1.23 0.00 1.44 -1.07 -4.97 115.22 108.40 2wns n HIS 205 Ca -0.01 0.05 0.13 0.00 -2.01 0.00 0.00 57.72 55.89 2wns n HIS 205 Cb 0.44 -0.59 0.30 0.00 0.12 0.00 0.00 29.99 30.26 2wns n HIS 205 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25