#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1f s SER 2 N 0.00 0.01 -0.12 1.61 0.01 -1.26 -5.14 113.70 108.81 1x1f s SER 2 Ca 0.00 -0.05 -0.04 0.00 1.31 0.00 0.00 55.95 57.17 1x1f s SER 2 Cb 0.00 0.13 0.06 0.00 0.21 0.00 0.00 66.02 66.42 1x1f s SER 2 CO 0.00 -0.12 0.22 -0.55 0.41 0.00 0.00 173.24 173.19 1x1f s SER 3 N -0.45 0.60 -0.30 2.44 0.15 -1.26 -5.10 113.70 109.77 1x1f s SER 3 Ca -0.05 0.42 -0.11 0.00 0.70 0.00 0.00 55.95 56.92 1x1f s SER 3 Cb -0.03 0.50 0.18 0.00 -1.71 0.00 0.00 66.02 64.96 1x1f s SER 3 CO 0.00 -0.25 1.01 -0.83 1.20 0.00 0.00 173.24 174.37 1x1f s GLY 4 N 2.36 -0.74 -0.05 9.45 0.00 -1.26 -5.16 107.32 111.93 1x1f s GLY 4 Ca 0.02 2.27 0.01 0.00 0.00 0.00 0.00 44.72 47.03 1x1f s GLY 4 CO -0.08 3.97 -0.06 -0.45 0.00 0.00 0.00 173.10 176.48 1x1f s SER 5 N 2.95 1.09 -0.56 1.64 0.15 -1.26 -5.10 113.70 112.61 1x1f s SER 5 Ca 0.16 -0.16 -0.07 0.00 0.70 0.00 0.00 55.95 56.57 1x1f s SER 5 Cb -0.06 -0.51 0.14 0.00 -1.71 0.00 0.00 66.02 63.89 1x1f s SER 5 CO -0.19 -0.03 0.42 -0.55 1.20 0.00 0.00 173.24 174.09 1x1f s SER 6 N 0.79 5.68 -0.74 5.45 0.15 -1.26 -5.03 113.70 118.74 1x1f s SER 6 Ca -0.12 -2.29 -0.22 0.00 0.70 0.00 0.00 55.95 54.03 1x1f s SER 6 Cb -0.14 -1.98 0.08 0.00 -1.71 0.00 0.00 66.02 62.27 1x1f s SER 6 CO 0.01 -0.58 1.04 -0.83 1.20 0.00 0.00 173.24 174.09 1x1f s GLY 7 N 1.98 1.46 -0.08 9.45 0.00 -1.26 -4.66 107.32 114.21 1x1f s GLY 7 Ca 0.11 -2.04 -0.06 0.00 0.00 0.00 0.00 44.72 42.73 1x1f s GLY 7 CO -0.03 2.11 0.12 -1.06 0.00 0.00 0.00 173.10 174.24 1x1f n GLN 8 N 7.61 -3.74 -1.47 2.90 3.00 -1.26 -4.76 117.38 119.65 1x1f n GLN 8 Ca 0.04 2.82 -0.49 0.00 -0.01 0.00 0.00 57.00 59.36 1x1f n GLN 8 Cb 0.47 -3.78 -0.04 0.00 0.00 0.00 0.00 30.24 26.89 1x1f n GLN 8 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1x1f n GLU 9 N 1.94 0.38 -0.08 -1.09 4.71 -1.26 -4.91 120.64 120.32 1x1f n GLU 9 Ca -0.20 0.13 -0.11 0.00 -0.01 0.00 0.00 57.16 56.97 1x1f n GLU 9 Cb 0.31 -1.34 -0.06 0.00 -1.01 0.00 0.00 31.44 29.35 1x1f n GLU 9 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1x1f h ARG 10 N 1.80 0.00 -3.56 3.49 -0.00 -2.00 -3.51 114.38 110.60 1x1f h ARG 10 Ca -0.36 0.00 0.26 0.00 -0.50 0.00 0.00 59.98 59.39 1x1f h ARG 10 Cb 1.41 0.00 -0.15 0.00 0.00 0.00 0.00 29.97 31.23 1x1f h ARG 10 CO 0.61 0.43 -1.19 -0.11 0.00 0.00 0.00 179.97 179.70 1x1f n LEU 11 N -4.56 -1.17 -3.46 3.04 7.94 -1.26 -4.97 117.00 112.56 1x1f n LEU 11 Ca -0.16 2.49 -0.09 0.00 -1.11 0.00 0.00 56.01 57.13 1x1f n LEU 11 Cb 0.41 -3.09 -0.09 0.00 0.53 0.00 0.00 43.42 41.19 1x1f n LEU 11 CO 0.14 -1.80 -0.04 -0.54 -1.11 0.00 0.00 177.39 174.04 1x1f s LYS 12 N -4.63 0.32 0.02 1.96 1.02 -1.26 -5.06 119.74 112.11 1x1f s LYS 12 Ca 0.00 0.69 -0.03 0.00 0.02 0.00 0.00 55.97 56.65 1x1f s LYS 12 Cb 0.00 -0.22 -0.01 0.00 -0.52 0.00 0.00 37.83 37.08 1x1f s LYS 12 CO 0.00 -0.50 1.06 0.82 -0.92 0.00 0.00 175.35 175.80 1x1f h ILE 13 N 6.19 0.00 -2.77 2.17 5.03 -2.07 -3.43 117.51 122.63 1x1f h ILE 13 Ca -0.18 0.00 -0.12 0.00 -0.12 0.00 0.00 64.86 64.44 1x1f h ILE 13 Cb 1.14 0.00 -0.23 0.00 -3.03 0.00 0.00 36.82 34.70 1x1f h ILE 13 CO 0.22 0.00 -0.22 -0.89 -0.68 0.00 0.00 178.15 176.58 1x1f s THR 14 N -3.26 0.01 0.27 -0.27 2.01 -1.26 -5.04 115.64 108.10 1x1f s THR 14 Ca -0.01 -0.11 0.00 0.00 0.31 0.00 0.00 61.69 61.88 1x1f s THR 14 Cb 0.01 -0.61 0.00 0.00 0.01 0.00 0.00 72.50 71.92 1x1f s THR 14 CO 0.06 -0.06 0.00 0.00 -0.69 0.00 0.00 174.62 173.94 1x1f n ALA 15 N 2.41 0.95 -1.61 7.40 0.00 -1.26 -5.16 120.51 123.23 1x1f n ALA 15 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1x1f n ALA 15 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1x1f n ALA 15 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1x1f n LEU 16 N -3.11 -5.84 -4.66 0.00 4.77 -1.26 -4.82 117.00 102.08 1x1f n LEU 16 Ca 0.00 2.81 -0.43 0.00 -0.03 0.00 0.00 56.01 58.36 1x1f n LEU 16 Cb 0.00 -2.57 -0.02 0.00 -2.33 0.00 0.00 43.42 38.50 1x1f n LEU 16 CO 0.00 -0.56 1.09 -2.16 -1.33 0.00 0.00 177.39 174.42 1x1f s PRO 17 N -2.38 4.24 0.26 3.23 0.04 -1.26 -4.91 135.00 134.22 1x1f s PRO 17 Ca 0.00 1.68 -0.31 0.00 0.04 0.00 0.00 61.00 62.41 1x1f s PRO 17 Cb 0.00 -3.76 -0.13 0.00 0.04 0.00 0.00 34.50 30.65 1x1f s PRO 17 CO 0.00 -0.70 1.50 -0.11 0.04 0.00 0.00 177.00 177.73 1x1f n LEU 18 N 6.57 3.70 -0.04 -3.56 -0.00 -1.26 -4.13 117.00 118.27 1x1f n LEU 18 Ca 0.14 1.14 -0.03 0.00 -0.00 0.00 0.00 56.01 57.26 1x1f n LEU 18 Cb 0.45 -1.51 -0.07 0.00 -0.00 0.00 0.00 43.42 42.29 1x1f n LEU 18 CO 0.56 -0.18 -0.78 -1.22 -0.00 0.00 0.00 177.39 175.78 1x1f n TYR 19 N 2.09 0.00 -3.64 1.96 4.01 -0.03 -5.02 117.16 116.53 1x1f n TYR 19 Ca 0.10 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.77 1x1f n TYR 19 Cb 0.34 -0.42 -0.07 0.00 -0.31 0.00 0.00 39.34 38.88 1x1f n TYR 19 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1x1f s PHE 20 N -2.29 -0.36 -0.01 -0.72 5.36 -1.24 -4.99 117.98 113.74 1x1f s PHE 20 Ca -0.04 0.85 0.04 0.00 -0.96 0.00 0.00 56.93 56.82 1x1f s PHE 20 Cb 0.03 0.40 -0.01 0.00 -0.34 0.00 0.00 43.02 43.10 1x1f s PHE 20 CO 0.38 -0.18 -0.14 -1.83 -1.46 0.00 0.00 175.22 171.99 1x1f s GLU 21 N 0.08 1.15 0.00 10.12 -1.05 -1.26 -0.96 118.70 126.77 1x1f s GLU 21 Ca 0.04 -0.50 0.00 0.00 -0.15 0.00 0.00 54.97 54.36 1x1f s GLU 21 Cb -0.05 -1.11 0.00 0.00 -0.44 0.00 0.00 34.13 32.54 1x1f s GLU 21 CO -0.08 0.30 0.00 0.41 0.95 0.00 0.00 175.26 176.84 1x1f n GLY 22 N 2.75 2.17 3.59 -3.83 0.00 -1.12 -5.07 105.19 103.68 1x1f n GLY 22 Ca -0.14 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 1x1f n GLY 22 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x1f s PHE 23 N -2.00 2.03 0.14 1.61 0.08 -1.26 -2.75 117.98 115.83 1x1f s PHE 23 Ca 0.00 0.64 0.04 0.00 0.12 0.00 0.00 56.93 57.74 1x1f s PHE 23 Cb 0.00 -4.21 -0.04 0.00 -0.57 0.00 0.00 43.02 38.20 1x1f s PHE 23 CO 0.00 -2.50 0.13 -1.17 -0.10 0.00 0.00 175.22 171.59 1x1f s LEU 24 N 6.52 3.85 -0.28 -0.37 2.96 -0.94 -4.80 118.68 125.62 1x1f s LEU 24 Ca 0.70 -0.07 -0.08 0.00 -0.22 0.00 0.00 54.13 54.47 1x1f s LEU 24 Cb -0.18 -2.48 -0.01 0.00 0.50 0.00 0.00 46.19 44.03 1x1f s LEU 24 CO 0.32 0.10 0.09 -0.76 -1.32 0.00 0.00 176.35 174.78 1x1f s LEU 25 N -2.91 3.77 -0.16 -0.68 1.43 -0.85 -2.45 118.68 116.83 1x1f s LEU 25 Ca 0.31 -0.51 -0.04 0.00 -1.03 0.00 0.00 54.13 52.86 1x1f s LEU 25 Cb -0.11 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 1x1f s LEU 25 CO 0.23 -0.14 -0.03 -0.63 0.23 0.00 0.00 176.35 176.01 1x1f s ILE 26 N 1.56 3.93 0.00 -0.59 -1.09 -1.17 -1.83 121.20 122.01 1x1f s ILE 26 Ca 0.04 -0.34 0.00 0.00 -2.23 0.00 0.00 60.65 58.12 1x1f s ILE 26 Cb -0.16 -2.73 0.00 0.00 -1.58 0.00 0.00 42.46 37.98 1x1f s ILE 26 CO 0.04 0.48 0.66 1.17 -1.23 0.00 0.00 174.94 176.05 1x1f n LYS 27 N 3.66 0.63 0.00 2.79 4.81 -1.09 -3.37 118.16 125.59 1x1f n LYS 27 Ca -0.17 -0.85 0.00 0.00 -0.87 0.00 0.00 58.31 56.42 1x1f n LYS 27 Cb 0.52 -0.94 0.00 0.00 0.02 0.00 0.00 35.03 34.63 1x1f n LYS 27 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1x1f n ARG 28 N -0.19 0.00 0.09 1.64 0.63 -1.24 -3.59 116.66 114.00 1x1f n ARG 28 Ca 0.00 0.00 0.10 0.00 -0.92 0.00 0.00 57.85 57.03 1x1f n ARG 28 Cb 0.14 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.03 1x1f n ARG 28 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1x1f n SER 29 N -3.22 0.80 0.00 6.15 2.88 -1.25 -2.83 113.62 116.17 1x1f n SER 29 Ca 0.00 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 1x1f n SER 29 Cb 0.00 0.51 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 1x1f n SER 29 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x1f n GLY 30 N 1.21 0.64 1.07 0.46 0.00 -1.24 -5.06 105.19 102.27 1x1f n GLY 30 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 1x1f n GLY 30 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1x1f n TYR 31 N 0.00 -2.38 -0.02 1.61 4.02 -1.26 -4.77 117.16 114.37 1x1f n TYR 31 Ca 0.00 1.23 0.02 0.00 -0.01 0.00 0.00 57.90 59.14 1x1f n TYR 31 Cb 0.00 -2.16 -0.07 0.00 -0.02 0.00 0.00 39.34 37.09 1x1f n TYR 31 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 1x1f n ARG 32 N -3.35 1.00 -3.64 -0.72 3.00 -1.26 -5.06 116.66 106.63 1x1f n ARG 32 Ca -0.02 -0.06 -0.03 0.00 -0.00 0.00 0.00 57.85 57.75 1x1f n ARG 32 Cb 0.62 -1.22 -0.05 0.00 0.00 0.00 0.00 32.46 31.80 1x1f n ARG 32 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1x1f s GLU 33 N -2.51 0.08 -0.14 -0.14 -1.05 -1.26 -5.12 118.70 108.56 1x1f s GLU 33 Ca -0.04 0.04 -0.38 0.00 -0.15 0.00 0.00 54.97 54.45 1x1f s GLU 33 Cb 0.05 0.04 -0.15 0.00 -0.44 0.00 0.00 34.13 33.63 1x1f s GLU 33 CO 0.38 -0.02 1.68 0.66 0.95 0.00 0.00 175.26 178.91 1x1f n TYR 34 N 0.88 2.01 -4.16 4.83 4.01 -1.26 -4.87 117.16 118.59 1x1f n TYR 34 Ca -0.04 0.43 -0.29 0.00 -0.16 0.00 0.00 57.90 57.84 1x1f n TYR 34 Cb 0.58 -2.48 -0.08 0.00 -0.31 0.00 0.00 39.34 37.05 1x1f n TYR 34 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1x1f s GLU 35 N 2.86 2.44 -0.24 -0.72 0.41 -1.22 -4.95 118.70 117.29 1x1f s GLU 35 Ca 0.93 -0.94 -0.17 0.00 -0.41 0.00 0.00 54.97 54.38 1x1f s GLU 35 Cb -0.95 -2.46 -0.03 0.00 -1.78 0.00 0.00 34.13 28.92 1x1f s GLU 35 CO 0.57 0.51 0.48 -1.01 -0.49 0.00 0.00 175.26 175.33 1x1f s HIS 36 N -1.41 3.30 -0.02 1.61 3.76 -1.26 -3.05 115.29 118.22 1x1f s HIS 36 Ca 0.25 0.64 -0.02 0.00 -0.15 0.00 0.00 55.06 55.79 1x1f s HIS 36 Cb -0.11 -2.67 0.01 0.00 1.11 0.00 0.00 32.58 30.93 1x1f s HIS 36 CO 0.18 -0.20 0.06 0.71 -0.85 0.00 0.00 174.74 174.63 1x1f s TYR 37 N 2.00 -0.05 -0.99 1.40 2.02 -1.03 -4.97 117.35 115.74 1x1f s TYR 37 Ca 0.21 0.17 -0.25 0.00 -0.37 0.00 0.00 57.07 56.83 1x1f s TYR 37 Cb -0.15 -0.03 -0.14 0.00 -0.40 0.00 0.00 41.96 41.23 1x1f s TYR 37 CO 0.09 -0.05 2.14 -0.46 -1.57 0.00 0.00 175.55 175.70 1x1f s TRP 38 N 0.29 1.43 0.12 2.71 -0.11 0.41 -2.20 118.94 121.59 1x1f s TRP 38 Ca -0.02 1.59 -0.28 0.00 1.22 0.00 0.00 56.10 58.61 1x1f s TRP 38 Cb -0.03 -3.60 -0.06 0.00 -1.50 0.00 0.00 33.47 28.27 1x1f s TRP 38 CO -0.01 -1.21 0.89 0.99 -4.62 0.00 0.00 176.95 172.98 1x1f s THR 39 N 14.09 4.49 -0.03 5.86 2.01 -1.11 -0.53 115.64 140.41 1x1f s THR 39 Ca 0.80 1.92 0.05 0.00 0.31 0.00 0.00 61.69 64.77 1x1f s THR 39 Cb -0.07 -4.25 -0.01 0.00 0.01 0.00 0.00 72.50 68.18 1x1f s THR 39 CO 0.11 0.37 -0.19 -1.61 -0.69 0.00 0.00 174.62 172.62 1x1f s GLU 40 N -0.29 1.78 -0.31 4.92 0.41 0.39 -2.80 118.70 122.80 1x1f s GLU 40 Ca 0.43 -0.67 -0.16 0.00 -0.41 0.00 0.00 54.97 54.16 1x1f s GLU 40 Cb -0.23 -1.60 -0.02 0.00 -1.78 0.00 0.00 34.13 30.50 1x1f s GLU 40 CO 0.28 0.32 0.44 -1.17 -0.49 0.00 0.00 175.26 174.63 1x1f s LEU 41 N -0.16 4.24 -0.05 1.80 0.20 -0.14 -1.20 118.68 123.37 1x1f s LEU 41 Ca 0.00 0.08 0.00 0.00 0.69 0.00 0.00 54.13 54.91 1x1f s LEU 41 Cb -0.10 -2.49 0.02 0.00 -0.43 0.00 0.00 46.19 43.19 1x1f s LEU 41 CO 0.01 -0.34 -0.02 -0.13 -0.29 0.00 0.00 176.35 175.58 1x1f s ARG 42 N 2.20 0.68 1.70 1.98 0.52 -1.18 -0.85 118.95 123.99 1x1f s ARG 42 Ca 0.16 -0.01 0.00 0.00 -0.52 0.00 0.00 55.73 55.36 1x1f s ARG 42 Cb -0.16 -0.82 0.00 0.00 0.52 0.00 0.00 34.95 34.50 1x1f s ARG 42 CO 0.11 -0.15 0.00 0.41 0.02 0.00 0.00 175.30 175.69 1x1f n GLY 43 N 4.37 0.41 0.34 -3.53 0.00 -1.26 0.01 105.19 105.54 1x1f n GLY 43 Ca -0.20 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1x1f n GLY 43 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x1f n THR 44 N 0.00 0.00 -4.53 2.61 -2.24 -1.26 -4.85 114.28 104.01 1x1f n THR 44 Ca 0.00 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 1x1f n THR 44 Cb 0.00 0.59 -0.16 0.00 -2.10 0.00 0.00 70.33 68.65 1x1f n THR 44 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1x1f s THR 45 N 0.00 2.03 -0.40 4.28 2.01 0.10 -3.57 115.64 120.09 1x1f s THR 45 Ca 0.00 -0.95 -0.29 0.00 0.31 0.00 0.00 61.69 60.76 1x1f s THR 45 Cb 0.00 -1.81 0.02 0.00 0.01 0.00 0.00 72.50 70.73 1x1f s THR 45 CO 0.00 0.54 1.09 -0.76 -0.69 0.00 0.00 174.62 174.81 1x1f s LEU 46 N 0.94 3.79 -0.28 4.42 1.43 -0.85 -3.10 118.68 125.03 1x1f s LEU 46 Ca -0.04 0.72 -0.10 0.00 -1.03 0.00 0.00 54.13 53.67 1x1f s LEU 46 Cb -0.15 -3.52 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 1x1f s LEU 46 CO -0.05 -1.06 0.17 -0.36 0.23 0.00 0.00 176.35 175.28 1x1f s PHE 47 N 4.04 3.19 -0.11 0.29 0.08 -0.34 -0.46 117.98 124.67 1x1f s PHE 47 Ca 0.46 -0.03 -0.05 0.00 0.12 0.00 0.00 56.93 57.43 1x1f s PHE 47 Cb -0.10 -2.36 -0.04 0.00 -0.57 0.00 0.00 43.02 39.95 1x1f s PHE 47 CO 0.24 -0.22 0.09 -0.06 -0.10 0.00 0.00 175.22 175.17 1x1f s PHE 48 N 1.73 3.45 0.10 0.36 0.08 0.14 0.15 117.98 123.98 1x1f s PHE 48 Ca 0.07 0.41 0.04 0.00 0.12 0.00 0.00 56.93 57.57 1x1f s PHE 48 Cb -0.16 -1.90 -0.04 0.00 -0.57 0.00 0.00 43.02 40.36 1x1f s PHE 48 CO 0.09 0.64 -0.11 0.71 -0.10 0.00 0.00 175.22 176.46 1x1f s TYR 49 N -0.95 1.09 -0.10 0.36 2.02 0.31 -0.85 117.35 119.22 1x1f s TYR 49 Ca 0.14 -0.64 0.15 0.00 -0.37 0.00 0.00 57.07 56.36 1x1f s TYR 49 Cb -0.12 -0.59 -0.22 0.00 -0.40 0.00 0.00 41.96 40.63 1x1f s TYR 49 CO 0.03 0.01 0.53 0.25 -1.57 0.00 0.00 175.55 174.81 1x1f n THR 50 N 0.58 1.38 -3.49 -0.71 -2.24 -1.26 0.16 114.28 108.70 1x1f n THR 50 Ca -0.16 -0.78 -0.16 0.00 -2.27 0.00 0.00 64.05 60.68 1x1f n THR 50 Cb 0.57 -0.77 -0.05 0.00 -2.10 0.00 0.00 70.33 67.99 1x1f n THR 50 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1x1f s ASP 51 N -5.78 -0.63 0.29 3.42 1.11 -1.26 -4.70 116.67 109.12 1x1f s ASP 51 Ca -0.06 0.50 -0.01 0.00 0.18 0.00 0.00 52.55 53.17 1x1f s ASP 51 Cb 0.08 0.56 0.47 0.00 1.07 0.00 0.00 42.92 45.09 1x1f s ASP 51 CO 0.83 -0.71 1.93 0.11 1.18 0.00 0.00 175.17 178.50 1x1f h LYS 52 N 2.70 1.07 -0.93 8.23 6.56 -1.97 -0.59 116.57 131.64 1x1f h LYS 52 Ca -0.29 -0.06 0.08 0.00 -1.06 0.00 0.00 60.65 59.31 1x1f h LYS 52 Cb 1.19 -0.24 -0.07 0.00 -0.57 0.00 0.00 32.23 32.54 1x1f h LYS 52 CO 0.39 0.71 0.59 0.87 -2.06 0.00 0.00 179.45 179.94 1x1f h LYS 53 N 1.10 1.00 -6.69 3.15 1.79 -2.03 -3.42 116.57 111.47 1x1f h LYS 53 Ca 0.36 -0.06 -0.57 0.00 -2.18 0.00 0.00 60.65 58.20 1x1f h LYS 53 Cb 0.05 -0.23 0.11 0.00 -1.58 0.00 0.00 32.23 30.58 1x1f h LYS 53 CO -0.11 0.66 0.48 0.43 -1.08 0.00 0.00 179.45 179.83 1x1f n SER 54 N -4.59 2.60 -0.09 0.86 7.64 -0.23 -4.92 113.62 114.89 1x1f n SER 54 Ca 0.15 1.20 -0.15 0.00 1.01 0.00 0.00 58.87 61.07 1x1f n SER 54 Cb 0.22 -1.45 -0.08 0.00 -1.01 0.00 0.00 64.21 61.89 1x1f n SER 54 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1x1f n ILE 55 N 0.55 1.03 -2.90 0.44 5.41 -1.26 -4.87 119.36 117.76 1x1f n ILE 55 Ca 0.06 -0.35 -0.43 0.00 1.00 0.00 0.00 62.75 63.03 1x1f n ILE 55 Cb 0.35 -1.34 -0.05 0.00 -0.71 0.00 0.00 39.64 37.89 1x1f n ILE 55 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1x1f s ILE 56 N -2.35 4.47 0.05 1.39 1.01 -1.26 -4.98 121.20 119.52 1x1f s ILE 56 Ca -0.25 0.08 -0.38 0.00 0.00 0.00 0.00 60.65 60.10 1x1f s ILE 56 Cb 0.08 -4.51 -0.18 0.00 0.01 0.00 0.00 42.46 37.85 1x1f s ILE 56 CO 0.39 -1.09 1.22 0.00 0.00 0.00 0.00 174.94 175.45 1x1f n TYR 57 N 7.25 1.12 -0.17 3.97 4.11 -1.26 -4.82 117.16 127.35 1x1f n TYR 57 Ca -0.00 0.83 -0.01 0.00 -0.00 0.00 0.00 57.90 58.71 1x1f n TYR 57 Cb 0.47 -2.22 0.08 0.00 -0.00 0.00 0.00 39.34 37.66 1x1f n TYR 57 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.86 176.62 1x1f h VAL 58 N 3.18 0.64 -3.23 -3.48 3.04 -1.34 -3.45 116.25 111.62 1x1f h VAL 58 Ca -0.49 -0.06 -0.04 0.00 -1.01 0.00 0.00 66.70 65.10 1x1f h VAL 58 Cb 1.38 0.44 -0.12 0.00 -2.01 0.00 0.00 31.29 30.98 1x1f h VAL 58 CO 0.72 0.03 0.05 -1.81 -1.01 0.00 0.00 177.57 175.55 1x1f s ASP 59 N -5.28 -0.37 0.09 3.17 1.01 -1.15 -5.05 116.67 109.10 1x1f s ASP 59 Ca -0.13 -0.22 -0.03 0.00 0.71 0.00 0.00 52.55 52.89 1x1f s ASP 59 Cb 0.16 0.54 -0.03 0.00 1.01 0.00 0.00 42.92 44.60 1x1f s ASP 59 CO 0.73 -0.92 0.05 -1.59 0.21 0.00 0.00 175.17 173.64 1x1f s LYS 60 N -3.79 0.77 0.33 8.23 -2.85 -1.26 0.24 119.74 121.41 1x1f s LYS 60 Ca 0.03 -1.25 0.04 0.00 -1.00 0.00 0.00 55.97 53.79 1x1f s LYS 60 Cb 0.00 0.25 -0.03 0.00 -2.06 0.00 0.00 37.83 35.99 1x1f s LYS 60 CO -0.11 -0.20 0.18 -0.51 0.10 0.00 0.00 175.35 174.81 1x1f s LEU 61 N -2.96 1.74 -0.03 2.77 1.43 0.39 -4.98 118.68 117.04 1x1f s LEU 61 Ca 0.13 -1.62 0.01 0.00 -1.03 0.00 0.00 54.13 51.61 1x1f s LEU 61 Cb 0.07 0.23 0.02 0.00 0.03 0.00 0.00 46.19 46.54 1x1f s LEU 61 CO -0.06 -0.94 -0.02 -0.62 0.23 0.00 0.00 176.35 174.94 1x1f s ASP 62 N -3.41 0.62 -0.04 2.29 2.15 -1.26 -2.01 116.67 115.01 1x1f s ASP 62 Ca 0.35 -0.07 0.08 0.00 0.43 0.00 0.00 52.55 53.33 1x1f s ASP 62 Cb 0.04 -0.27 0.13 0.00 -0.30 0.00 0.00 42.92 42.52 1x1f s ASP 62 CO 0.19 -0.05 1.06 2.30 -0.17 0.00 0.00 175.17 178.50 1x1f n ILE 63 N 3.87 0.54 0.10 4.11 -5.35 -1.23 -4.78 119.36 116.62 1x1f n ILE 63 Ca -0.24 -0.77 -0.02 0.00 -0.27 0.00 0.00 62.75 61.45 1x1f n ILE 63 Cb 0.52 0.34 0.23 0.00 -1.74 0.00 0.00 39.64 38.99 1x1f n ILE 63 CO 0.00 0.00 0.00 1.62 -1.76 0.00 0.00 176.55 176.41 1x1f h VAL 64 N 5.07 1.31 -0.62 7.28 3.04 -1.84 -2.03 116.25 128.46 1x1f h VAL 64 Ca -0.02 -1.53 0.00 0.00 -1.01 0.00 0.00 66.70 64.14 1x1f h VAL 64 Cb 1.34 1.71 0.00 0.00 -2.01 0.00 0.00 31.29 32.33 1x1f h VAL 64 CO 0.01 0.46 0.00 -0.67 -1.01 0.00 0.00 177.57 176.35 1x1f n ASP 65 N -4.02 5.08 -4.51 3.17 2.03 -1.26 -4.93 116.55 112.11 1x1f n ASP 65 Ca -0.02 -2.61 -0.53 0.00 0.52 0.00 0.00 54.79 52.15 1x1f n ASP 65 Cb 0.48 -0.62 -0.06 0.00 -0.72 0.00 0.00 41.12 40.21 1x1f n ASP 65 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1x1f n LEU 66 N 0.95 0.31 -0.00 -2.67 7.94 -0.77 -4.22 117.00 118.54 1x1f n LEU 66 Ca 0.26 1.14 -0.09 0.00 -1.11 0.00 0.00 56.01 56.21 1x1f n LEU 66 Cb 1.00 -1.04 -0.14 0.00 0.53 0.00 0.00 43.42 43.77 1x1f n LEU 66 CO 0.27 -1.90 -0.42 0.74 -1.11 0.00 0.00 177.39 174.96 1x1f h THR 67 N 2.47 0.98 0.00 1.96 2.02 0.69 -3.49 112.91 117.55 1x1f h THR 67 Ca -0.43 -2.80 0.00 0.00 0.77 0.00 0.00 66.41 63.95 1x1f h THR 67 Cb 1.40 2.51 0.00 0.00 -1.74 0.00 0.00 68.15 70.31 1x1f h THR 67 CO 0.66 0.60 0.00 0.00 0.37 0.00 0.00 175.52 177.14 1x1f s LEU 69 N 0.00 1.34 0.40 0.00 0.20 -1.26 -1.35 118.68 118.01 1x1f s LEU 69 Ca 0.00 -0.17 0.07 0.00 0.69 0.00 0.00 54.13 54.72 1x1f s LEU 69 Cb 0.00 -0.56 0.01 0.00 -0.43 0.00 0.00 46.19 45.21 1x1f s LEU 69 CO 0.00 -0.05 0.55 0.42 -0.29 0.00 0.00 176.35 176.98 1x1f s THR 70 N 0.98 3.28 -0.13 3.68 -4.23 -0.92 -4.95 115.64 113.36 1x1f s THR 70 Ca -0.10 -0.99 -0.00 0.00 -1.18 0.00 0.00 61.69 59.42 1x1f s THR 70 Cb -0.14 -3.11 0.03 0.00 1.34 0.00 0.00 72.50 70.61 1x1f s THR 70 CO 0.00 -0.04 -0.09 -1.61 -0.54 0.00 0.00 174.62 172.33 1x1f s GLU 71 N -4.31 1.75 -0.43 3.99 2.02 -1.26 -2.75 118.70 117.70 1x1f s GLU 71 Ca 0.52 -0.40 -0.25 0.00 0.02 0.00 0.00 54.97 54.87 1x1f s GLU 71 Cb -0.10 -1.82 0.02 0.00 0.10 0.00 0.00 34.13 32.33 1x1f s GLU 71 CO 0.33 -0.29 0.90 -0.65 0.02 0.00 0.00 175.26 175.57 1x1f s GLN 72 N 1.62 3.60 -0.44 1.61 1.11 0.16 -4.98 119.66 122.35 1x1f s GLN 72 Ca 0.04 0.23 0.01 0.00 0.01 0.00 0.00 55.36 55.66 1x1f s GLN 72 Cb -0.13 -3.89 0.12 0.00 -1.01 0.00 0.00 33.01 28.10 1x1f s GLN 72 CO -0.09 -1.12 0.20 -0.80 0.01 0.00 0.00 175.29 173.48 1x1f s ASN 73 N 2.14 4.84 0.00 5.90 -0.87 -1.26 -4.57 114.94 121.12 1x1f s ASN 73 Ca 0.36 -2.44 0.00 0.00 -1.57 0.00 0.00 52.86 49.21 1x1f s ASN 73 Cb -0.11 -1.71 0.00 0.00 -0.02 0.00 0.00 41.25 39.41 1x1f s ASN 73 CO 0.24 -0.38 0.00 -0.24 -2.57 0.00 0.00 177.10 174.14 1x1f n SER 74 N 3.94 0.00 -3.45 -1.22 2.88 -1.26 -5.17 113.62 109.33 1x1f n SER 74 Ca 0.03 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.46 1x1f n SER 74 Cb 0.39 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.82 1x1f n SER 74 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1x1f s THR 75 N 0.00 0.00 -1.42 2.46 2.01 -1.26 -5.05 115.64 112.37 1x1f s THR 75 Ca 0.00 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 61.92 1x1f s THR 75 Cb 0.00 -1.00 0.06 0.00 0.01 0.00 0.00 72.50 71.57 1x1f s THR 75 CO 0.00 0.00 2.49 1.21 -0.69 0.00 0.00 174.62 177.63 1x1f n GLU 76 N -0.24 4.07 -3.83 4.92 0.00 -1.26 -4.83 120.64 119.48 1x1f n GLU 76 Ca -0.15 -3.02 0.00 0.00 0.00 0.00 0.00 57.16 53.99 1x1f n GLU 76 Cb 0.64 -2.77 0.01 0.00 0.00 0.00 0.00 31.44 29.31 1x1f n GLU 76 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1x1f s LYS 77 N 0.38 0.74 -0.39 5.31 -0.14 -1.26 -5.05 119.74 119.33 1x1f s LYS 77 Ca 0.57 -0.46 0.08 0.00 -1.36 0.00 0.00 55.97 54.80 1x1f s LYS 77 Cb 0.17 0.22 0.44 0.00 -1.68 0.00 0.00 37.83 36.98 1x1f s LYS 77 CO -0.07 -0.34 1.10 -1.71 -0.76 0.00 0.00 175.35 173.56 1x1f n ASN 78 N -0.88 4.07 -4.86 2.83 2.85 -1.26 -5.02 115.26 112.99 1x1f n ASN 78 Ca -0.03 -3.48 -0.22 0.00 -0.11 0.00 0.00 54.58 50.74 1x1f n ASN 78 Cb 0.60 -0.45 0.07 0.00 1.24 0.00 0.00 39.78 41.24 1x1f n ASN 78 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1x1f s ALA 80 N -2.89 3.53 -0.12 0.00 0.00 -1.26 -4.79 121.76 116.23 1x1f s ALA 80 Ca 0.62 -1.08 -0.02 0.00 0.00 0.00 0.00 51.96 51.47 1x1f s ALA 80 Cb -0.08 -2.49 0.04 0.00 0.00 0.00 0.00 23.12 20.59 1x1f s ALA 80 CO 0.41 -0.56 0.02 0.15 0.00 0.00 0.00 175.76 175.78 1x1f s LYS 81 N 1.77 0.60 0.05 0.00 1.02 -1.26 -3.43 119.74 118.49 1x1f s LYS 81 Ca 0.07 -0.10 -0.04 0.00 0.02 0.00 0.00 55.97 55.92 1x1f s LYS 81 Cb -0.16 -1.44 -0.02 0.00 -0.52 0.00 0.00 37.83 35.69 1x1f s LYS 81 CO 0.11 -0.45 0.06 -0.59 -0.92 0.00 0.00 175.35 173.56 1x1f s PHE 82 N 1.94 0.30 -0.06 3.18 -0.12 -1.19 0.40 117.98 122.42 1x1f s PHE 82 Ca 0.03 -0.69 0.03 0.00 -0.05 0.00 0.00 56.93 56.26 1x1f s PHE 82 Cb -0.14 -0.21 -0.02 0.00 -0.63 0.00 0.00 43.02 42.01 1x1f s PHE 82 CO -0.06 -0.37 -0.16 0.99 -0.05 0.00 0.00 175.22 175.56 1x1f s THR 83 N -3.04 2.90 -0.42 -4.49 2.01 -1.11 -1.84 115.64 109.66 1x1f s THR 83 Ca -0.01 -0.77 -0.24 0.00 0.31 0.00 0.00 61.69 60.97 1x1f s THR 83 Cb 0.01 -2.14 0.02 0.00 0.01 0.00 0.00 72.50 70.41 1x1f s THR 83 CO -0.07 0.58 0.86 -0.76 -0.69 0.00 0.00 174.62 174.54 1x1f s LEU 84 N -0.48 4.09 -0.14 4.42 2.01 0.14 -2.16 118.68 126.55 1x1f s LEU 84 Ca 0.06 0.22 -0.25 0.00 0.01 0.00 0.00 54.13 54.17 1x1f s LEU 84 Cb -0.12 -3.12 -0.02 0.00 0.01 0.00 0.00 46.19 42.95 1x1f s LEU 84 CO 0.02 -0.91 0.80 -0.69 1.01 0.00 0.00 176.35 176.58 1x1f s VAL 85 N 3.44 4.92 0.16 -1.59 1.01 -0.46 -1.39 120.40 126.50 1x1f s VAL 85 Ca 0.34 1.59 0.07 0.00 0.00 0.00 0.00 61.98 63.99 1x1f s VAL 85 Cb -0.12 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 1x1f s VAL 85 CO 0.22 0.08 -0.16 -0.76 0.00 0.00 0.00 175.10 174.48 1x1f s LEU 86 N 1.82 2.46 0.00 3.92 1.43 -1.23 0.13 118.68 127.21 1x1f s LEU 86 Ca 0.38 -0.90 0.23 0.00 -1.03 0.00 0.00 54.13 52.81 1x1f s LEU 86 Cb -0.17 -0.68 1.36 0.00 0.03 0.00 0.00 46.19 46.73 1x1f s LEU 86 CO 0.14 -0.12 1.74 -0.81 0.23 0.00 0.00 176.35 177.54 1x1f n PRO 87 N 0.15 0.75 -0.01 1.29 -0.04 -1.26 -3.63 135.00 132.26 1x1f n PRO 87 Ca -0.12 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.29 1x1f n PRO 87 Cb 0.58 -1.48 -0.02 0.00 -0.04 0.00 0.00 33.50 32.55 1x1f n PRO 87 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1x1f n LYS 88 N -0.98 0.18 -3.55 0.54 5.02 -1.26 -5.10 118.16 113.01 1x1f n LYS 88 Ca 0.17 0.07 -0.16 0.00 -2.02 0.00 0.00 58.31 56.37 1x1f n LYS 88 Cb 0.08 -0.81 -0.06 0.00 -0.02 0.00 0.00 35.03 34.21 1x1f n LYS 88 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1x1f s GLU 89 N -2.27 1.02 0.14 1.97 2.12 -1.24 -5.16 118.70 115.29 1x1f s GLU 89 Ca -0.11 0.08 -0.18 0.00 0.36 0.00 0.00 54.97 55.12 1x1f s GLU 89 Cb 0.02 0.48 -0.07 0.00 0.26 0.00 0.00 34.13 34.82 1x1f s GLU 89 CO 0.15 -0.33 0.62 -1.21 -0.54 0.00 0.00 175.26 173.95 1x1f s GLU 90 N -1.55 4.18 -0.02 4.30 2.02 -1.26 -3.49 118.70 122.88 1x1f s GLU 90 Ca -0.10 0.74 0.06 0.00 0.02 0.00 0.00 54.97 55.69 1x1f s GLU 90 Cb -0.01 -3.06 -0.01 0.00 0.10 0.00 0.00 34.13 31.15 1x1f s GLU 90 CO 0.06 0.53 -0.20 0.08 0.02 0.00 0.00 175.26 175.75 1x1f s VAL 91 N -1.32 1.59 0.01 2.63 1.01 -0.48 -3.74 120.40 120.10 1x1f s VAL 91 Ca 0.36 -0.86 -0.17 0.00 0.00 0.00 0.00 61.98 61.31 1x1f s VAL 91 Cb -0.18 -1.33 -0.06 0.00 0.00 0.00 0.00 36.38 34.82 1x1f s VAL 91 CO 0.20 0.45 0.49 -1.10 0.00 0.00 0.00 175.10 175.14 1x1f s GLN 92 N -0.42 4.11 0.03 2.72 -0.21 -1.13 0.27 119.66 125.03 1x1f s GLN 92 Ca 0.06 0.55 0.05 0.00 0.02 0.00 0.00 55.36 56.05 1x1f s GLN 92 Cb -0.08 -3.27 -0.02 0.00 1.00 0.00 0.00 33.01 30.64 1x1f s GLN 92 CO -0.00 0.57 -0.14 -0.51 -2.12 0.00 0.00 175.29 173.08 1x1f s LEU 93 N -0.76 2.13 -0.03 2.90 1.02 -0.77 -2.69 118.68 120.49 1x1f s LEU 93 Ca 0.26 -0.40 -0.10 0.00 0.02 0.00 0.00 54.13 53.91 1x1f s LEU 93 Cb -0.18 -0.66 0.01 0.00 0.02 0.00 0.00 46.19 45.39 1x1f s LEU 93 CO 0.15 0.08 0.23 -0.75 0.02 0.00 0.00 176.35 176.08 1x1f s LYS 94 N -0.92 0.49 0.37 1.70 2.36 -0.76 -3.17 119.74 119.81 1x1f s LYS 94 Ca 0.03 -0.13 0.01 0.00 -2.55 0.00 0.00 55.97 53.33 1x1f s LYS 94 Cb -0.07 0.22 -0.00 0.00 -1.05 0.00 0.00 37.83 36.92 1x1f s LYS 94 CO 0.01 -0.12 0.04 0.25 1.55 0.00 0.00 175.35 177.08 1x1f n THR 95 N 1.79 0.00 -0.04 3.43 -2.24 -1.22 -2.00 114.28 114.00 1x1f n THR 95 Ca -0.20 -1.85 -0.16 0.00 -2.27 0.00 0.00 64.05 59.56 1x1f n THR 95 Cb 0.56 0.47 -0.13 0.00 -2.10 0.00 0.00 70.33 69.13 1x1f n THR 95 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1x1f h GLU 96 N 0.00 0.09 -4.03 -0.78 5.08 -1.90 -3.45 114.58 109.59 1x1f h GLU 96 Ca -0.30 -0.16 -0.13 0.00 -1.00 0.00 0.00 59.36 57.77 1x1f h GLU 96 Cb 0.97 0.06 -0.13 0.00 0.50 0.00 0.00 28.75 30.16 1x1f h GLU 96 CO 0.49 1.08 -0.38 0.54 -1.00 0.00 0.00 179.01 179.74 1x1f s ASN 97 N -6.51 0.07 0.26 1.42 2.20 -1.26 -4.89 114.94 106.24 1x1f s ASN 97 Ca -0.18 -1.01 -0.02 0.00 -0.94 0.00 0.00 52.86 50.71 1x1f s ASN 97 Cb -0.01 0.44 0.52 0.00 -2.00 0.00 0.00 41.25 40.19 1x1f s ASN 97 CO 0.73 -0.91 1.74 0.74 -2.94 0.00 0.00 177.10 176.46 1x1f h THR 98 N 2.55 0.68 -0.18 0.54 2.02 -1.87 -0.62 112.91 116.02 1x1f h THR 98 Ca -0.32 -0.18 0.03 0.00 0.77 0.00 0.00 66.41 66.70 1x1f h THR 98 Cb 1.23 0.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.70 1x1f h THR 98 CO 0.48 0.10 -0.34 -0.08 0.37 0.00 0.00 175.52 176.05 1x1f h GLU 99 N 0.53 -0.28 -0.97 6.66 4.81 -1.96 0.47 114.58 123.84 1x1f h GLU 99 Ca 0.45 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.80 1x1f h GLU 99 Cb 0.67 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 30.04 1x1f h GLU 99 CO -0.39 -0.19 0.61 0.77 -0.73 0.00 0.00 179.01 179.08 1x1f h SER 100 N -0.29 0.92 0.19 1.04 0.02 -1.83 -2.70 113.55 110.89 1x1f h SER 100 Ca 0.03 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1x1f h SER 100 Cb 0.39 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1x1f h SER 100 CO -0.33 0.52 -0.19 1.23 -1.14 0.00 0.00 176.83 176.93 1x1f h GLY 101 N 1.01 -0.90 -0.96 -3.77 0.00 0.53 -2.11 103.07 96.88 1x1f h GLY 101 Ca 0.46 0.40 0.35 0.00 0.00 0.00 0.00 47.33 48.54 1x1f h GLY 101 CO -0.23 -0.30 0.32 1.18 0.00 0.00 0.00 176.54 177.50 1x1f n GLU 102 N -3.45 -0.06 0.00 4.80 -0.58 0.15 0.09 120.64 121.58 1x1f n GLU 102 Ca -0.04 1.37 0.00 0.00 -0.42 0.00 0.00 57.16 58.06 1x1f n GLU 102 Cb 0.17 -2.34 0.00 0.00 -0.57 0.00 0.00 31.44 28.70 1x1f n GLU 102 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1x1f n GLU 103 N -5.27 0.00 0.03 3.49 1.02 -0.88 0.47 120.64 119.51 1x1f n GLU 103 Ca 0.31 0.61 -0.13 0.00 -0.02 0.00 0.00 57.16 57.93 1x1f n GLU 103 Cb 1.04 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.88 1x1f n GLU 103 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 1x1f h TRP 104 N 0.00 -1.31 -1.00 -0.32 4.06 -0.36 1.16 115.95 118.18 1x1f h TRP 104 Ca 0.00 0.04 0.30 0.00 2.06 0.00 0.00 58.89 61.30 1x1f h TRP 104 Cb 0.00 0.57 -0.18 0.00 -1.00 0.00 0.00 29.16 28.55 1x1f h TRP 104 CO -0.03 -0.47 0.13 -2.13 -3.56 0.00 0.00 178.44 172.38 1x1f n ARG 105 N -4.93 -0.08 0.06 0.49 0.63 0.11 0.16 116.66 113.11 1x1f n ARG 105 Ca -0.06 1.47 -0.12 0.00 -0.92 0.00 0.00 57.85 58.22 1x1f n ARG 105 Cb 0.32 -2.39 -0.08 0.00 0.45 0.00 0.00 32.46 30.76 1x1f n ARG 105 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1x1f h GLY 106 N 0.00 -0.23 0.38 5.14 0.00 0.23 -1.02 103.07 107.57 1x1f h GLY 106 Ca 0.66 0.09 0.12 0.00 0.00 0.00 0.00 47.33 48.19 1x1f h GLY 106 CO -0.90 -0.08 0.46 0.74 0.00 0.00 0.00 176.54 176.75 1x1f h PHE 107 N -0.77 0.82 0.73 5.60 0.04 0.45 -0.47 116.94 123.34 1x1f h PHE 107 Ca -0.02 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 1x1f h PHE 107 Cb 0.52 -0.24 0.01 0.00 2.20 0.00 0.00 35.95 38.44 1x1f h PHE 107 CO 0.08 0.27 -0.35 0.82 -0.60 0.00 0.00 178.31 178.53 1x1f h ILE 108 N 0.71 0.03 -0.89 -0.55 5.03 0.15 -0.49 117.51 121.51 1x1f h ILE 108 Ca 0.43 -0.27 0.26 0.00 -0.12 0.00 0.00 64.86 65.15 1x1f h ILE 108 Cb 0.50 0.04 -0.04 0.00 -3.03 0.00 0.00 36.82 34.30 1x1f h ILE 108 CO -0.30 0.00 0.92 -0.07 -0.68 0.00 0.00 178.15 178.02 1x1f h LEU 109 N -1.25 0.00 0.23 1.44 3.38 -0.76 1.54 115.31 119.89 1x1f h LEU 109 Ca -0.10 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.56 1x1f h LEU 109 Cb 0.76 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.54 1x1f h LEU 109 CO 0.16 0.00 -1.39 0.74 0.09 0.00 0.00 178.44 178.05 1x1f h THR 110 N 0.00 1.28 -0.52 0.22 2.02 -0.60 0.18 112.91 115.49 1x1f h THR 110 Ca 0.42 -2.64 -0.25 0.00 0.77 0.00 0.00 66.41 64.71 1x1f h THR 110 Cb 2.26 3.04 -0.15 0.00 -1.74 0.00 0.00 68.15 71.56 1x1f h THR 110 CO -0.00 0.80 0.31 1.33 0.37 0.00 0.00 175.52 178.32 1x1f n VAL 111 N -3.79 2.13 0.00 3.16 0.24 0.51 -2.38 118.33 118.20 1x1f n VAL 111 Ca -0.17 -1.03 0.00 0.00 -2.04 0.00 0.00 64.34 61.10 1x1f n VAL 111 Cb 1.05 -0.66 0.00 0.00 -1.47 0.00 0.00 33.84 32.76 1x1f n VAL 111 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1x1f n THR 112 N -0.31 0.00 0.22 3.34 -2.24 0.09 -4.68 114.28 110.70 1x1f n THR 112 Ca 0.31 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.21 1x1f n THR 112 Cb 1.10 -0.21 0.10 0.00 -2.10 0.00 0.00 70.33 69.22 1x1f n THR 112 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1x1f h GLU 113 N 0.00 0.00 -0.42 -0.78 5.08 -0.77 -3.48 114.58 114.21 1x1f h GLU 113 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1x1f h GLU 113 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1x1f h GLU 113 CO 0.00 0.00 -0.14 1.28 -1.00 0.00 0.00 179.01 179.15 1x1f n LEU 114 N -2.78 -0.61 0.00 1.33 7.99 -1.00 -4.98 117.00 116.95 1x1f n LEU 114 Ca 0.02 0.15 -0.15 0.00 -0.01 0.00 0.00 56.01 56.02 1x1f n LEU 114 Cb 0.53 -1.30 -0.03 0.00 -0.11 0.00 0.00 43.42 42.51 1x1f n LEU 114 CO 0.37 -0.33 0.16 -0.24 -1.51 0.00 0.00 177.39 175.84 1x1f n SER 115 N 0.84 -1.35 -4.46 -1.43 2.88 -1.24 -5.03 113.62 103.82 1x1f n SER 115 Ca -0.07 -2.94 -0.35 0.00 -1.33 0.00 0.00 58.87 54.18 1x1f n SER 115 Cb 0.27 2.54 -0.12 0.00 -0.75 0.00 0.00 64.21 66.15 1x1f n SER 115 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1x1f s VAL 116 N -2.85 4.04 0.17 2.46 1.01 -1.26 -3.96 120.40 120.01 1x1f s VAL 116 Ca 0.30 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.70 1x1f s VAL 116 Cb -0.01 -2.83 -0.08 0.00 0.00 0.00 0.00 36.38 33.47 1x1f s VAL 116 CO 0.22 0.43 1.12 -2.16 0.00 0.00 0.00 175.10 174.70 1x1f s PRO 117 N 0.96 4.57 0.00 2.72 0.04 -1.26 -4.93 135.00 137.10 1x1f s PRO 117 Ca 0.02 1.74 0.24 0.00 0.04 0.00 0.00 61.00 63.04 1x1f s PRO 117 Cb -0.14 -3.28 0.29 0.00 0.04 0.00 0.00 34.50 31.41 1x1f s PRO 117 CO 0.02 0.03 1.27 1.04 0.04 0.00 0.00 177.00 179.40 1x1f n GLN 118 N 2.47 0.87 -2.49 4.56 1.13 -1.26 -4.42 117.38 118.23 1x1f n GLN 118 Ca 0.03 -0.64 -0.41 0.00 -1.94 0.00 0.00 57.00 54.04 1x1f n GLN 118 Cb 0.46 -1.49 0.01 0.00 0.11 0.00 0.00 30.24 29.34 1x1f n GLN 118 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1x1f n ASN 119 N -0.50 7.42 -4.19 1.08 3.02 -1.26 -4.93 115.26 115.89 1x1f n ASN 119 Ca 0.10 -3.52 -0.14 0.00 -0.03 0.00 0.00 54.58 50.99 1x1f n ASN 119 Cb 0.40 -1.23 -0.10 0.00 -0.61 0.00 0.00 39.78 38.23 1x1f n ASN 119 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1x1f s VAL 120 N -3.31 0.95 -2.27 2.41 -7.23 -1.26 -5.03 120.40 104.65 1x1f s VAL 120 Ca 0.42 -1.78 0.18 0.00 -1.81 0.00 0.00 61.98 58.99 1x1f s VAL 120 Cb 0.18 -1.52 0.14 0.00 0.56 0.00 0.00 36.38 35.74 1x1f s VAL 120 CO -0.10 -0.66 1.08 -0.24 -0.31 0.00 0.00 175.10 174.87 1x1f n SER 121 N 0.29 2.51 -3.29 4.85 2.88 -1.26 -5.00 113.62 114.60 1x1f n SER 121 Ca -0.14 -1.76 -0.13 0.00 -1.33 0.00 0.00 58.87 55.51 1x1f n SER 121 Cb 0.59 -0.00 0.12 0.00 -0.75 0.00 0.00 64.21 64.17 1x1f n SER 121 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1x1f n LEU 122 N 1.02 0.00 0.00 2.46 4.32 -1.26 -5.03 117.00 118.51 1x1f n LEU 122 Ca 0.11 -0.37 -0.17 0.00 -0.02 0.00 0.00 56.01 55.56 1x1f n LEU 122 Cb 0.45 -0.55 0.00 0.00 -1.62 0.00 0.00 43.42 41.71 1x1f n LEU 122 CO 0.11 -2.14 0.06 0.18 -1.22 0.00 0.00 177.39 174.39 1x1f n LEU 123 N 0.00 0.00 0.25 2.23 4.77 -1.26 -4.93 117.00 118.05 1x1f n LEU 123 Ca 0.06 -1.85 0.14 0.00 -0.03 0.00 0.00 56.01 54.34 1x1f n LEU 123 Cb 0.25 -0.05 0.43 0.00 -2.33 0.00 0.00 43.42 41.72 1x1f n LEU 123 CO 0.16 -0.49 0.89 1.55 -1.33 0.00 0.00 177.39 178.18 1x1f h PRO 124 N 0.00 0.00 0.00 3.23 0.13 -1.99 0.44 132.00 133.81 1x1f h PRO 124 Ca -0.22 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.79 1x1f h PRO 124 Cb 0.83 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.94 1x1f h PRO 124 CO 0.35 0.02 -1.05 0.78 -0.23 0.00 0.00 178.00 177.86 1x1f h GLY 125 N 2.99 0.00 0.69 1.56 0.00 -2.01 -3.26 103.07 103.03 1x1f h GLY 125 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 1x1f h GLY 125 CO 0.00 0.00 -1.93 -1.06 0.00 0.00 0.00 176.54 173.55 1x1f n GLN 126 N -2.94 0.72 -0.29 4.80 1.13 -1.12 -4.11 117.38 115.56 1x1f n GLN 126 Ca -0.04 0.26 -0.00 0.00 -1.94 0.00 0.00 57.00 55.28 1x1f n GLN 126 Cb 0.75 -1.73 0.12 0.00 0.11 0.00 0.00 30.24 29.50 1x1f n GLN 126 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1x1f h VAL 127 N 0.05 1.04 -0.93 5.09 2.07 -1.05 -1.79 116.25 120.72 1x1f h VAL 127 Ca -0.39 -0.31 0.19 0.00 0.82 0.00 0.00 66.70 67.01 1x1f h VAL 127 Cb 2.03 0.05 -0.18 0.00 -1.52 0.00 0.00 31.29 31.67 1x1f h VAL 127 CO 0.08 0.17 -0.22 0.40 0.02 0.00 0.00 177.57 178.02 1x1f h ILE 128 N 0.90 0.07 -0.48 4.57 2.04 -1.71 0.42 117.51 123.33 1x1f h ILE 128 Ca 0.35 -0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.27 1x1f h ILE 128 Cb 0.15 0.07 -0.09 0.00 -0.74 0.00 0.00 36.82 36.21 1x1f h ILE 128 CO -0.17 0.00 -0.50 0.11 0.00 0.00 0.00 178.15 177.60 1x1f h LYS 129 N 0.00 -0.31 -1.00 2.37 1.79 -1.52 1.09 116.57 118.99 1x1f h LYS 129 Ca 0.45 0.02 0.26 0.00 -2.18 0.00 0.00 60.65 59.20 1x1f h LYS 129 Cb 0.70 0.07 -0.13 0.00 -1.58 0.00 0.00 32.23 31.30 1x1f h LYS 129 CO -0.95 -0.21 0.59 -0.07 -1.08 0.00 0.00 179.45 177.73 1x1f h LEU 130 N -0.32 0.65 0.36 2.94 3.38 -0.26 1.84 115.31 123.89 1x1f h LEU 130 Ca 0.12 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 1x1f h LEU 130 Cb 0.58 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1x1f h LEU 130 CO -0.63 0.07 -0.17 0.45 0.09 0.00 0.00 178.44 178.24 1x1f h HIS 131 N 0.54 -0.45 0.50 1.13 3.86 0.12 -0.76 115.15 120.09 1x1f h HIS 131 Ca 0.66 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.84 1x1f h HIS 131 Cb 1.28 0.15 -0.01 0.00 1.06 0.00 0.00 27.41 29.89 1x1f h HIS 131 CO -0.01 -0.12 -0.35 0.93 0.86 0.00 0.00 177.93 179.24 1x1f h GLU 132 N -0.89 -0.80 -0.65 2.45 5.08 0.28 -0.90 114.58 119.14 1x1f h GLU 132 Ca -0.05 0.05 0.14 0.00 -1.00 0.00 0.00 59.36 58.50 1x1f h GLU 132 Cb 0.54 0.18 -0.11 0.00 0.50 0.00 0.00 28.75 29.85 1x1f h GLU 132 CO 0.08 -0.53 -0.03 0.28 -1.00 0.00 0.00 179.01 177.81 1x1f h VAL 133 N -0.83 0.43 0.03 3.13 2.07 0.27 0.84 116.25 122.18 1x1f h VAL 133 Ca -0.05 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1x1f h VAL 133 Cb 0.70 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1x1f h VAL 133 CO 0.03 0.02 -0.07 0.25 0.02 0.00 0.00 177.57 177.81 1x1f h LEU 134 N 0.09 -0.20 -1.62 2.57 5.85 -0.69 0.62 115.31 121.92 1x1f h LEU 134 Ca 0.34 0.02 0.26 0.00 0.84 0.00 0.00 57.88 59.34 1x1f h LEU 134 Cb 0.56 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.59 1x1f h LEU 134 CO -0.59 -0.08 0.67 -0.33 -0.34 0.00 0.00 178.44 177.78 1x1f h GLU 135 N -0.11 0.26 0.44 1.25 5.08 -0.50 0.96 114.58 121.96 1x1f h GLU 135 Ca -0.00 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1x1f h GLU 135 Cb 0.10 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1x1f h GLU 135 CO -0.03 0.17 -0.21 0.00 -1.00 0.00 0.00 179.01 177.94 1x1f h ARG 136 N 0.26 -0.56 0.00 2.33 2.47 0.20 -2.83 114.38 116.25 1x1f h ARG 136 Ca 0.52 0.04 -0.06 0.00 -1.26 0.00 0.00 59.98 59.22 1x1f h ARG 136 Cb 1.56 0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 30.00 1x1f h ARG 136 CO -0.16 -0.29 -0.28 1.05 0.56 0.00 0.00 179.97 180.85 1x1f h GLU 137 N -0.76 0.00 -0.02 0.04 4.11 0.21 -3.13 114.58 115.02 1x1f h GLU 137 Ca -0.06 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.40 1x1f h GLU 137 Cb 0.53 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 1x1f h GLU 137 CO 0.10 0.28 -0.41 0.87 0.07 0.00 0.00 179.01 179.91 1x1f h LYS 138 N 0.00 -0.53 -0.74 1.06 1.57 0.11 1.56 116.57 119.60 1x1f h LYS 138 Ca -0.00 0.04 0.11 0.00 -1.87 0.00 0.00 60.65 58.93 1x1f h LYS 138 Cb 0.68 0.12 -0.13 0.00 0.08 0.00 0.00 32.23 32.99 1x1f h LYS 138 CO 0.04 -0.36 -0.41 0.87 -0.57 0.00 0.00 179.45 179.02 1x1f h LYS 139 N -0.55 -0.12 0.00 3.15 1.79 -1.46 1.58 116.57 120.95 1x1f h LYS 139 Ca 0.05 0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.49 1x1f h LYS 139 Cb 0.64 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.31 1x1f h LYS 139 CO -0.33 -0.08 -0.18 0.00 -1.08 0.00 0.00 179.45 177.78 1x1f h ARG 140 N -0.13 0.00 0.00 3.15 3.08 -1.42 -1.89 114.38 117.18 1x1f h ARG 140 Ca 0.24 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.24 1x1f h ARG 140 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1x1f h ARG 140 CO -0.79 0.18 -0.22 0.07 -1.07 0.00 0.00 179.97 178.13 1x1f h ARG 141 N 0.00 0.00 0.00 0.04 -0.00 1.35 -2.63 114.38 113.14 1x1f h ARG 141 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1x1f h ARG 141 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.50 1x1f h ARG 141 CO 0.02 0.22 0.00 -0.89 -0.00 0.00 0.00 179.97 179.33 1x1f n ILE 142 N -3.45 0.00 -0.10 0.08 5.41 0.93 -3.19 119.36 119.03 1x1f n ILE 142 Ca -0.00 0.83 -0.08 0.00 1.00 0.00 0.00 62.75 64.50 1x1f n ILE 142 Cb 0.40 -1.67 -0.06 0.00 -0.71 0.00 0.00 39.64 37.60 1x1f n ILE 142 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1x1f h GLU 143 N 0.00 -0.19 -4.93 0.38 5.08 -1.67 -3.37 114.58 109.88 1x1f h GLU 143 Ca 0.00 0.01 -0.66 0.00 -1.00 0.00 0.00 59.36 57.72 1x1f h GLU 143 Cb 0.00 0.04 -0.25 0.00 0.50 0.00 0.00 28.75 29.05 1x1f h GLU 143 CO 0.00 -0.13 -0.65 0.45 -1.00 0.00 0.00 179.01 177.68 1x1f s SER 144 N -4.11 4.92 0.00 1.42 0.15 -0.99 -5.03 113.70 110.05 1x1f s SER 144 Ca -0.08 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.20 1x1f s SER 144 Cb 0.05 -1.87 0.00 0.00 -1.71 0.00 0.00 66.02 62.49 1x1f s SER 144 CO 0.35 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.34 1x1f n GLY 145 N 4.88 -0.87 3.76 9.45 0.00 -1.19 -3.63 105.19 117.59 1x1f n GLY 145 Ca -0.16 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.33 1x1f n GLY 145 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x1f s PRO 146 N -2.00 -0.41 0.18 1.61 0.04 -1.26 -5.03 135.00 128.13 1x1f s PRO 146 Ca 0.00 -0.29 0.00 0.00 0.04 0.00 0.00 61.00 60.75 1x1f s PRO 146 Cb 0.00 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.83 1x1f s PRO 146 CO 0.00 -3.14 0.00 0.45 0.04 0.00 0.00 177.00 174.35 1x1f n SER 147 N -4.30 0.43 -3.67 6.66 2.88 -1.26 -5.01 113.62 109.35 1x1f n SER 147 Ca 0.15 0.29 -0.08 0.00 -1.33 0.00 0.00 58.87 57.90 1x1f n SER 147 Cb 0.59 0.03 -0.09 0.00 -0.75 0.00 0.00 64.21 64.00 1x1f n SER 147 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x1f s SER 148 N -5.46 -0.70 0.00 -3.46 0.15 -1.26 -5.28 113.70 97.69 1x1f s SER 148 Ca 0.00 1.18 0.00 0.00 0.70 0.00 0.00 55.95 57.83 1x1f s SER 148 Cb 0.00 1.14 0.00 0.00 -1.71 0.00 0.00 66.02 65.45 1x1f s SER 148 CO 0.00 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.83