#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 3.32 -0.21 1.61 0.15 -1.26 -5.11 113.70 112.21 1x1f s SER 2 Ca 0.00 -1.14 -0.29 0.00 0.70 0.00 0.00 55.95 55.22 1x1f s SER 2 Cb 0.00 -0.59 0.15 0.00 -1.71 0.00 0.00 66.02 63.87 1x1f s SER 2 CO 0.00 -0.37 1.12 -0.94 1.20 0.00 0.00 173.24 174.25 1x1f s SER 3 N 1.87 -0.27 -0.32 5.45 1.04 -1.26 -5.13 113.70 115.09 1x1f s SER 3 Ca 0.05 0.31 -0.09 0.00 0.48 0.00 0.00 55.95 56.70 1x1f s SER 3 Cb -0.17 0.25 0.21 0.00 0.10 0.00 0.00 66.02 66.41 1x1f s SER 3 CO -0.19 -0.23 1.13 -0.83 0.98 0.00 0.00 173.24 174.09 1x1f s GLY 4 N -0.97 -1.89 -0.30 7.32 0.00 -1.26 -5.14 107.32 105.08 1x1f s GLY 4 Ca 0.02 0.86 -0.15 0.00 0.00 0.00 0.00 44.72 45.45 1x1f s GLY 4 CO -0.02 4.37 1.06 -0.45 0.00 0.00 0.00 173.10 178.06 1x1f s SER 5 N 1.23 -0.46 -0.30 1.64 0.15 -1.26 -5.16 113.70 109.54 1x1f s SER 5 Ca 0.21 0.52 -0.19 0.00 0.70 0.00 0.00 55.95 57.19 1x1f s SER 5 Cb 0.12 1.48 0.20 0.00 -1.71 0.00 0.00 66.02 66.11 1x1f s SER 5 CO -0.12 -0.09 1.31 -0.94 1.20 0.00 0.00 173.24 174.60 1x1f s SER 6 N 2.51 -0.07 0.00 5.45 1.04 -1.26 -5.15 113.70 116.23 1x1f s SER 6 Ca -0.01 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.53 1x1f s SER 6 Cb -0.06 0.75 0.00 0.00 0.10 0.00 0.00 66.02 66.81 1x1f s SER 6 CO -0.16 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.66 1x1f n GLY 7 N 2.64 3.02 3.30 7.32 0.00 -1.26 -5.18 105.19 115.04 1x1f n GLY 7 Ca -0.15 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 1x1f n GLY 7 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1x1f s GLN 8 N -3.37 1.07 0.23 1.61 -2.07 -1.26 -5.08 119.66 110.78 1x1f s GLN 8 Ca 0.00 -1.08 0.00 0.00 -1.82 0.00 0.00 55.36 52.46 1x1f s GLN 8 Cb 0.00 0.38 0.00 0.00 -1.09 0.00 0.00 33.01 32.30 1x1f s GLN 8 CO 0.00 -0.38 0.00 -1.91 -1.32 0.00 0.00 175.29 171.68 1x1f n GLU 9 N -0.17 0.00 -2.59 9.60 2.13 -1.26 -5.13 120.64 123.21 1x1f n GLU 9 Ca -0.10 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.69 1x1f n GLU 9 Cb 0.63 -0.02 -0.02 0.00 0.27 0.00 0.00 31.44 32.29 1x1f n GLU 9 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1x1f n ARG 10 N -3.29 -3.73 -0.03 5.31 0.63 -1.26 -4.97 116.66 109.32 1x1f n ARG 10 Ca 0.00 2.82 -0.00 0.00 -0.92 0.00 0.00 57.85 59.75 1x1f n ARG 10 Cb 0.01 -3.79 -0.00 0.00 0.45 0.00 0.00 32.46 29.12 1x1f n ARG 10 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1x1f h LEU 11 N 4.36 0.00 -2.52 6.15 3.38 -2.08 -3.49 115.31 121.10 1x1f h LEU 11 Ca -0.29 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 1x1f h LEU 11 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1x1f h LEU 11 CO 0.00 0.28 -0.01 1.17 0.09 0.00 0.00 178.44 179.98 1x1f n LYS 12 N -3.54 -1.01 -3.63 1.13 4.81 -1.26 -5.04 118.16 109.61 1x1f n LYS 12 Ca -0.00 1.25 -0.24 0.00 -0.87 0.00 0.00 58.31 58.44 1x1f n LYS 12 Cb 0.00 -4.73 -0.17 0.00 0.02 0.00 0.00 35.03 30.15 1x1f n LYS 12 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 1x1f s ILE 13 N -3.00 -0.08 -0.41 3.15 -5.25 -1.26 -5.09 121.20 109.26 1x1f s ILE 13 Ca 0.00 -0.01 0.02 0.00 -0.99 0.00 0.00 60.65 59.67 1x1f s ILE 13 Cb -0.00 -0.47 0.13 0.00 2.95 0.00 0.00 42.46 45.07 1x1f s ILE 13 CO 0.57 -0.15 0.20 -0.89 -1.79 0.00 0.00 174.94 172.88 1x1f s THR 14 N 2.14 1.37 -0.89 8.37 2.01 -1.26 -4.99 115.64 122.39 1x1f s THR 14 Ca 0.03 -2.33 -0.04 0.00 0.31 0.00 0.00 61.69 59.66 1x1f s THR 14 Cb -0.15 -1.98 0.17 0.00 0.01 0.00 0.00 72.50 70.55 1x1f s THR 14 CO -0.07 -0.83 2.38 0.00 -0.69 0.00 0.00 174.62 175.40 1x1f n ALA 15 N 3.83 6.52 -2.64 7.40 0.00 -1.26 -4.93 120.51 129.43 1x1f n ALA 15 Ca 0.06 -3.81 -0.38 0.00 0.00 0.00 0.00 53.44 49.31 1x1f n ALA 15 Cb 0.36 -2.33 -0.09 0.00 0.00 0.00 0.00 19.45 17.39 1x1f n ALA 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x1f s LEU 16 N -2.82 4.09 -0.22 0.00 1.43 -1.26 -5.04 118.68 114.85 1x1f s LEU 16 Ca 0.53 0.22 -0.29 0.00 -1.03 0.00 0.00 54.13 53.56 1x1f s LEU 16 Cb 0.30 -2.27 -0.01 0.00 0.03 0.00 0.00 46.19 44.23 1x1f s LEU 16 CO -0.20 -0.04 1.31 -2.16 0.23 0.00 0.00 176.35 175.49 1x1f s PRO 17 N 1.46 4.07 0.29 1.29 0.04 -1.26 -4.93 135.00 135.95 1x1f s PRO 17 Ca 0.12 1.49 -0.30 0.00 0.04 0.00 0.00 61.00 62.35 1x1f s PRO 17 Cb -0.15 -3.84 -0.11 0.00 0.04 0.00 0.00 34.50 30.44 1x1f s PRO 17 CO 0.08 -0.93 1.59 -1.17 0.04 0.00 0.00 177.00 176.61 1x1f s LEU 18 N 4.00 4.34 -0.11 -3.56 1.98 -1.26 -3.88 118.68 120.20 1x1f s LEU 18 Ca 0.57 2.95 0.10 0.00 -2.89 0.00 0.00 54.13 54.86 1x1f s LEU 18 Cb -0.20 -3.63 -0.14 0.00 0.66 0.00 0.00 46.19 42.87 1x1f s LEU 18 CO 0.19 -0.91 0.05 -1.22 -1.89 0.00 0.00 176.35 172.58 1x1f n TYR 19 N 2.18 0.00 -3.64 5.38 4.01 -0.04 -5.01 117.16 120.04 1x1f n TYR 19 Ca 0.08 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.80 1x1f n TYR 19 Cb 0.37 -0.55 -0.04 0.00 -0.31 0.00 0.00 39.34 38.82 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 -2.31 -0.03 0.16 -0.72 5.36 -1.19 -4.98 117.98 114.28 1x1f s PHE 20 Ca -0.06 0.05 -0.03 0.00 -0.96 0.00 0.00 56.93 55.93 1x1f s PHE 20 Cb 0.04 0.50 -0.03 0.00 -0.34 0.00 0.00 43.02 43.18 1x1f s PHE 20 CO 0.47 -0.03 0.14 -1.83 -1.46 0.00 0.00 175.22 172.51 1x1f s GLU 21 N -1.18 1.09 0.00 10.12 1.03 -1.26 0.10 118.70 128.60 1x1f s GLU 21 Ca 0.09 -1.45 0.00 0.00 0.03 0.00 0.00 54.97 53.65 1x1f s GLU 21 Cb -0.01 0.29 0.00 0.00 -0.80 0.00 0.00 34.13 33.61 1x1f s GLU 21 CO -0.07 -0.35 0.00 0.41 -1.33 0.00 0.00 175.26 173.92 1x1f n GLY 22 N -0.19 4.31 3.54 -3.83 0.00 -0.93 -5.00 105.19 103.09 1x1f n GLY 22 Ca -0.03 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 1x1f n GLY 22 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1x1f n PHE 23 N -1.35 1.13 -3.96 1.61 3.72 -1.26 -3.44 117.46 113.91 1x1f n PHE 23 Ca 0.00 0.17 -0.23 0.00 -0.05 0.00 0.00 57.45 57.34 1x1f n PHE 23 Cb 0.00 -2.49 -0.02 0.00 -0.94 0.00 0.00 39.48 36.02 1x1f n PHE 23 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1x1f s LEU 24 N 11.25 4.32 -0.25 4.37 2.96 -0.97 -4.81 118.68 135.55 1x1f s LEU 24 Ca 1.08 0.11 -0.05 0.00 -0.22 0.00 0.00 54.13 55.06 1x1f s LEU 24 Cb -0.47 -2.87 0.00 0.00 0.50 0.00 0.00 46.19 43.35 1x1f s LEU 24 CO 0.31 -0.02 0.00 -0.76 -1.32 0.00 0.00 176.35 174.57 1x1f s LEU 25 N -3.68 3.32 -0.21 -0.68 1.43 -0.74 -2.18 118.68 115.95 1x1f s LEU 25 Ca 0.34 -0.60 -0.07 0.00 -1.03 0.00 0.00 54.13 52.77 1x1f s LEU 25 Cb -0.10 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 1x1f s LEU 25 CO 0.29 -0.10 0.06 -0.63 0.23 0.00 0.00 176.35 176.19 1x1f s ILE 26 N 1.46 4.51 -0.55 -0.59 -1.09 -1.18 -1.71 121.20 122.04 1x1f s ILE 26 Ca 0.03 -0.12 0.07 0.00 -2.23 0.00 0.00 60.65 58.40 1x1f s ILE 26 Cb -0.16 -3.06 0.28 0.00 -1.58 0.00 0.00 42.46 37.94 1x1f s ILE 26 CO -0.01 0.40 0.76 1.17 -1.23 0.00 0.00 174.94 176.03 1x1f n LYS 27 N 4.17 2.26 -0.44 2.79 4.81 -1.12 -3.65 118.16 126.98 1x1f n LYS 27 Ca -0.16 -4.35 -0.27 0.00 -0.87 0.00 0.00 58.31 52.65 1x1f n LYS 27 Cb 0.52 -2.02 0.23 0.00 0.02 0.00 0.00 35.03 33.78 1x1f n LYS 27 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1x1f n ARG 28 N 0.59 -3.10 -0.92 1.64 1.74 -1.26 -3.79 116.66 111.56 1x1f n ARG 28 Ca 0.28 -0.90 -0.32 0.00 -0.77 0.00 0.00 57.85 56.14 1x1f n ARG 28 Cb 0.45 -1.82 -0.04 0.00 -1.02 0.00 0.00 32.46 30.03 1x1f n ARG 28 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1x1f n SER 29 N -3.72 3.59 0.00 0.55 3.41 -1.26 -3.34 113.62 112.84 1x1f n SER 29 Ca 0.06 -2.49 0.00 0.00 -0.26 0.00 0.00 58.87 56.18 1x1f n SER 29 Cb 0.53 -1.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 1x1f n SER 29 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x1f n GLY 30 N 4.15 -1.25 2.70 5.00 0.00 -1.26 -5.16 105.19 109.37 1x1f n GLY 30 Ca 0.46 0.34 -0.19 0.00 0.00 0.00 0.00 46.02 46.62 1x1f n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x1f s TYR 31 N 0.00 0.02 0.59 1.61 2.02 -1.21 -5.00 117.35 115.38 1x1f s TYR 31 Ca 0.00 0.31 0.29 0.00 -0.37 0.00 0.00 57.07 57.30 1x1f s TYR 31 Cb 0.00 -0.43 1.52 0.00 -0.40 0.00 0.00 41.96 42.65 1x1f s TYR 31 CO 0.00 -0.20 1.94 0.00 -1.57 0.00 0.00 175.55 175.72 1x1f h ARG 32 N 8.37 0.00 0.00 -0.62 2.47 -1.99 -3.44 114.38 119.18 1x1f h ARG 32 Ca -0.14 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.58 1x1f h ARG 32 Cb 1.12 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.44 1x1f h ARG 32 CO 0.16 0.00 0.00 -0.85 0.56 0.00 0.00 179.97 179.84 1x1f n GLU 33 N -3.68 0.00 -1.67 0.04 0.28 -1.26 -5.13 120.64 109.23 1x1f n GLU 33 Ca 0.06 0.00 -0.48 0.00 -0.16 0.00 0.00 57.16 56.58 1x1f n GLU 33 Cb 0.58 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.40 1x1f n GLU 33 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1x1f n TYR 34 N -0.04 2.19 -4.26 -1.84 4.01 -1.26 -4.91 117.16 111.05 1x1f n TYR 34 Ca 0.00 0.23 -0.35 0.00 -0.16 0.00 0.00 57.90 57.62 1x1f n TYR 34 Cb 0.00 -2.56 -0.09 0.00 -0.31 0.00 0.00 39.34 36.39 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 2.23 3.06 -0.44 -0.72 0.41 -1.24 -4.96 118.70 117.05 1x1f s GLU 35 Ca 0.86 -0.37 -0.23 0.00 -0.41 0.00 0.00 54.97 54.82 1x1f s GLU 35 Cb -0.75 -2.87 0.02 0.00 -1.78 0.00 0.00 34.13 28.76 1x1f s GLU 35 CO 0.46 0.71 0.77 -1.01 -0.49 0.00 0.00 175.26 175.70 1x1f s HIS 36 N -0.95 3.02 -0.02 1.61 3.76 -1.26 -3.13 115.29 118.32 1x1f s HIS 36 Ca 0.15 0.20 0.03 0.00 -0.15 0.00 0.00 55.06 55.28 1x1f s HIS 36 Cb -0.12 -3.58 -0.00 0.00 1.11 0.00 0.00 32.58 29.99 1x1f s HIS 36 CO 0.04 -0.93 -0.10 0.71 -0.85 0.00 0.00 174.74 173.61 1x1f s TYR 37 N 3.20 0.98 -0.97 1.40 2.02 -0.93 -4.99 117.35 118.07 1x1f s TYR 37 Ca 0.29 -0.23 -0.26 0.00 -0.37 0.00 0.00 57.07 56.50 1x1f s TYR 37 Cb -0.12 -0.68 -0.16 0.00 -0.40 0.00 0.00 41.96 40.60 1x1f s TYR 37 CO 0.21 -0.08 2.18 -0.46 -1.57 0.00 0.00 175.55 175.84 1x1f s TRP 38 N 0.04 1.34 -0.03 2.71 -0.11 0.49 -2.28 118.94 121.09 1x1f s TRP 38 Ca -0.01 1.79 -0.27 0.00 1.22 0.00 0.00 56.10 58.84 1x1f s TRP 38 Cb -0.07 -3.53 -0.03 0.00 -1.50 0.00 0.00 33.47 28.34 1x1f s TRP 38 CO 0.00 -1.18 0.83 0.99 -4.62 0.00 0.00 176.95 172.97 1x1f s THR 39 N 14.74 4.96 -0.07 5.86 2.01 -1.22 -0.25 115.64 141.67 1x1f s THR 39 Ca 0.83 1.73 0.05 0.00 0.31 0.00 0.00 61.69 64.61 1x1f s THR 39 Cb -0.08 -4.17 -0.00 0.00 0.01 0.00 0.00 72.50 68.26 1x1f s THR 39 CO 0.12 0.21 -0.21 -1.61 -0.69 0.00 0.00 174.62 172.43 1x1f s GLU 40 N 0.89 2.39 -0.32 4.92 2.02 0.15 -2.18 118.70 126.57 1x1f s GLU 40 Ca 0.44 -0.77 -0.20 0.00 0.02 0.00 0.00 54.97 54.46 1x1f s GLU 40 Cb -0.19 -1.96 -0.01 0.00 0.10 0.00 0.00 34.13 32.07 1x1f s GLU 40 CO 0.23 0.25 0.61 -1.17 0.02 0.00 0.00 175.26 175.21 1x1f s LEU 41 N 0.11 4.20 -0.06 1.80 0.20 0.29 -1.81 118.68 123.40 1x1f s LEU 41 Ca -0.09 0.29 0.01 0.00 0.69 0.00 0.00 54.13 55.03 1x1f s LEU 41 Cb -0.14 -2.77 0.02 0.00 -0.43 0.00 0.00 46.19 42.86 1x1f s LEU 41 CO 0.05 -0.51 -0.06 -0.13 -0.29 0.00 0.00 176.35 175.40 1x1f s ARG 42 N 2.60 1.13 2.09 1.98 0.52 -1.17 -0.86 118.95 125.24 1x1f s ARG 42 Ca 0.24 -0.18 0.00 0.00 -0.52 0.00 0.00 55.73 55.27 1x1f s ARG 42 Cb -0.15 -1.11 0.00 0.00 0.52 0.00 0.00 34.95 34.21 1x1f s ARG 42 CO 0.13 -0.10 0.00 0.41 0.02 0.00 0.00 175.30 175.75 1x1f n GLY 43 N 4.24 0.57 0.23 -3.53 0.00 -1.25 -0.20 105.19 105.25 1x1f n GLY 43 Ca -0.21 0.73 0.01 0.00 0.00 0.00 0.00 46.02 46.55 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 0.18 -4.90 2.61 -2.24 -1.26 -4.87 114.28 103.80 1x1f n THR 44 Ca 0.00 -0.21 -0.31 0.00 -2.27 0.00 0.00 64.05 61.27 1x1f n THR 44 Cb 0.00 0.66 -0.17 0.00 -2.10 0.00 0.00 70.33 68.72 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 -0.24 1.85 -0.01 4.28 2.01 0.72 -3.22 115.64 121.03 1x1f s THR 45 Ca 0.02 -0.88 -0.28 0.00 0.31 0.00 0.00 61.69 60.86 1x1f s THR 45 Cb 0.02 -1.62 -0.04 0.00 0.01 0.00 0.00 72.50 70.87 1x1f s THR 45 CO 0.00 0.51 0.88 -0.76 -0.69 0.00 0.00 174.62 174.57 1x1f s LEU 46 N 0.58 4.37 -0.18 4.42 1.43 -0.43 -3.07 118.68 125.80 1x1f s LEU 46 Ca -0.14 1.52 0.01 0.00 -1.03 0.00 0.00 54.13 54.49 1x1f s LEU 46 Cb -0.17 -3.41 0.02 0.00 0.03 0.00 0.00 46.19 42.67 1x1f s LEU 46 CO 0.04 -0.18 -0.19 -0.36 0.23 0.00 0.00 176.35 175.88 1x1f s PHE 47 N 0.80 2.73 -0.15 0.29 0.40 -0.75 0.12 117.98 121.41 1x1f s PHE 47 Ca 0.47 -1.62 -0.08 0.00 -0.60 0.00 0.00 56.93 55.10 1x1f s PHE 47 Cb -0.20 -1.89 -0.04 0.00 0.51 0.00 0.00 43.02 41.39 1x1f s PHE 47 CO 0.25 -0.80 0.12 -0.06 0.70 0.00 0.00 175.22 175.43 1x1f s PHE 48 N 1.31 3.47 0.09 0.36 0.08 0.22 0.32 117.98 123.82 1x1f s PHE 48 Ca 0.05 0.39 0.05 0.00 0.12 0.00 0.00 56.93 57.55 1x1f s PHE 48 Cb -0.13 -2.03 -0.03 0.00 -0.57 0.00 0.00 43.02 40.26 1x1f s PHE 48 CO -0.13 0.50 -0.14 0.71 -0.10 0.00 0.00 175.22 176.06 1x1f s TYR 49 N -0.36 1.26 0.04 0.36 2.02 0.65 -0.56 117.35 120.76 1x1f s TYR 49 Ca 0.11 -0.50 0.05 0.00 -0.37 0.00 0.00 57.07 56.36 1x1f s TYR 49 Cb -0.12 -0.69 -0.24 0.00 -0.40 0.00 0.00 41.96 40.51 1x1f s TYR 49 CO 0.01 0.08 0.97 1.79 -1.57 0.00 0.00 175.55 176.83 1x1f h THR 50 N 4.04 1.29 -3.19 -0.71 1.35 -1.91 1.42 112.91 115.20 1x1f h THR 50 Ca -0.40 -3.02 -0.00 0.00 -0.55 0.00 0.00 66.41 62.44 1x1f h THR 50 Cb 1.19 2.71 -0.09 0.00 -1.73 0.00 0.00 68.15 70.23 1x1f h THR 50 CO 0.44 0.79 0.10 -1.81 -0.25 0.00 0.00 175.52 174.79 1x1f s ASP 51 N -6.64 -0.31 0.34 5.36 1.01 -1.26 -4.66 116.67 110.51 1x1f s ASP 51 Ca -0.04 -0.45 0.05 0.00 0.71 0.00 0.00 52.55 52.82 1x1f s ASP 51 Cb 0.08 0.62 0.60 0.00 1.01 0.00 0.00 42.92 45.24 1x1f s ASP 51 CO 0.83 -1.12 1.85 0.50 0.21 0.00 0.00 175.17 177.45 1x1f h LYS 52 N 2.12 0.44 -0.50 8.23 3.64 -1.98 -2.37 116.57 126.15 1x1f h LYS 52 Ca -0.27 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 58.95 1x1f h LYS 52 Cb 1.27 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 1x1f h LYS 52 CO 0.34 0.54 0.14 0.87 -2.27 0.00 0.00 179.45 179.07 1x1f h LYS 53 N 0.42 0.79 -6.23 1.90 1.79 -2.02 -3.43 116.57 109.78 1x1f h LYS 53 Ca 0.08 -0.18 -0.70 0.00 -2.18 0.00 0.00 60.65 57.68 1x1f h LYS 53 Cb 0.42 -0.11 0.05 0.00 -1.58 0.00 0.00 32.23 31.01 1x1f h LYS 53 CO 0.02 0.75 0.41 0.43 -1.08 0.00 0.00 179.45 179.98 1x1f n SER 54 N -4.48 1.44 -0.11 0.86 7.64 -0.89 -4.87 113.62 113.20 1x1f n SER 54 Ca 0.01 1.12 -0.22 0.00 1.01 0.00 0.00 58.87 60.80 1x1f n SER 54 Cb 0.21 -1.15 -0.12 0.00 -1.01 0.00 0.00 64.21 62.14 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 2.45 1.54 -3.08 0.44 -0.00 -1.26 -4.82 119.36 114.62 1x1f n ILE 55 Ca 0.19 -0.50 -0.43 0.00 -0.00 0.00 0.00 62.75 62.01 1x1f n ILE 55 Cb 0.17 -1.62 -0.06 0.00 -0.00 0.00 0.00 39.64 38.13 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 -2.51 4.77 0.13 1.39 -1.09 -1.26 -5.01 121.20 117.62 1x1f s ILE 56 Ca -0.34 -0.04 -0.35 0.00 -2.23 0.00 0.00 60.65 57.69 1x1f s ILE 56 Cb 0.10 -4.29 -0.16 0.00 -1.58 0.00 0.00 42.46 36.54 1x1f s ILE 56 CO 0.59 -0.74 1.38 0.00 -1.23 0.00 0.00 174.94 174.94 1x1f n TYR 57 N 6.43 1.72 -0.32 3.97 0.18 -1.26 -4.82 117.16 123.06 1x1f n TYR 57 Ca -0.02 0.54 0.15 0.00 1.88 0.00 0.00 57.90 60.44 1x1f n TYR 57 Cb 0.47 -2.39 0.38 0.00 -0.38 0.00 0.00 39.34 37.42 1x1f n TYR 57 CO 0.00 0.00 0.00 -0.24 -2.08 0.00 0.00 176.86 174.54 1x1f h VAL 58 N 3.28 0.71 -1.98 -3.48 3.04 -1.18 -3.44 116.25 113.20 1x1f h VAL 58 Ca -0.46 -0.23 0.09 0.00 -1.01 0.00 0.00 66.70 65.09 1x1f h VAL 58 Cb 1.31 -0.01 -0.18 0.00 -2.01 0.00 0.00 31.29 30.39 1x1f h VAL 58 CO 0.79 0.12 0.49 -0.62 -1.01 0.00 0.00 177.57 177.35 1x1f s ASP 59 N -5.50 -0.39 0.14 3.17 -1.08 -1.15 -5.04 116.67 106.82 1x1f s ASP 59 Ca -0.10 0.20 0.04 0.00 -0.52 0.00 0.00 52.55 52.17 1x1f s ASP 59 Cb 0.24 0.36 -0.04 0.00 -1.46 0.00 0.00 42.92 42.02 1x1f s ASP 59 CO 0.80 -0.51 -0.10 -1.59 0.52 0.00 0.00 175.17 174.29 1x1f s LYS 60 N -2.22 1.01 0.39 4.34 -2.85 -1.26 0.70 119.74 119.85 1x1f s LYS 60 Ca 0.01 -1.42 0.03 0.00 -1.00 0.00 0.00 55.97 53.60 1x1f s LYS 60 Cb -0.01 -0.56 -0.04 0.00 -2.06 0.00 0.00 37.83 35.17 1x1f s LYS 60 CO -0.04 0.06 0.10 -0.51 0.10 0.00 0.00 175.35 175.06 1x1f s LEU 61 N -3.11 2.07 -0.04 2.77 1.43 0.32 -4.96 118.68 117.16 1x1f s LEU 61 Ca 0.15 -1.57 0.00 0.00 -1.03 0.00 0.00 54.13 51.68 1x1f s LEU 61 Cb 0.03 -0.25 0.03 0.00 0.03 0.00 0.00 46.19 46.03 1x1f s LEU 61 CO -0.00 -0.82 -0.00 -0.62 0.23 0.00 0.00 176.35 175.14 1x1f s ASP 62 N -3.59 0.71 -0.06 2.29 2.15 -1.26 -1.32 116.67 115.59 1x1f s ASP 62 Ca 0.27 -0.04 0.13 0.00 0.43 0.00 0.00 52.55 53.33 1x1f s ASP 62 Cb 0.05 -0.27 0.24 0.00 -0.30 0.00 0.00 42.92 42.63 1x1f s ASP 62 CO 0.14 -0.12 1.11 2.30 -0.17 0.00 0.00 175.17 178.43 1x1f n ILE 63 N 4.36 0.75 0.10 4.11 -5.35 -1.20 -4.77 119.36 117.36 1x1f n ILE 63 Ca -0.22 -1.26 -0.05 0.00 -0.27 0.00 0.00 62.75 60.96 1x1f n ILE 63 Cb 0.50 0.36 0.10 0.00 -1.74 0.00 0.00 39.64 38.86 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 4.57 1.44 -0.61 7.28 3.04 -1.84 -2.70 116.25 127.43 1x1f h VAL 64 Ca -0.06 -2.22 0.00 0.00 -1.01 0.00 0.00 66.70 63.41 1x1f h VAL 64 Cb 1.38 2.18 0.00 0.00 -2.01 0.00 0.00 31.29 32.84 1x1f h VAL 64 CO 0.03 0.64 0.00 0.47 -1.01 0.00 0.00 177.57 177.70 1x1f n ASP 65 N -3.78 5.30 -4.58 3.17 8.00 -1.26 -4.95 116.55 118.45 1x1f n ASP 65 Ca -0.02 -2.70 -0.57 0.00 0.71 0.00 0.00 54.79 52.21 1x1f n ASP 65 Cb 0.67 -0.64 -0.07 0.00 -0.02 0.00 0.00 41.12 41.06 1x1f n ASP 65 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1x1f n LEU 66 N 0.87 0.99 0.09 0.64 7.94 -1.02 -4.21 117.00 122.30 1x1f n LEU 66 Ca 0.27 1.14 -0.17 0.00 -1.11 0.00 0.00 56.01 56.14 1x1f n LEU 66 Cb 1.06 -1.05 -0.14 0.00 0.53 0.00 0.00 43.42 43.82 1x1f n LEU 66 CO 0.29 -1.33 -0.17 0.74 -1.11 0.00 0.00 177.39 175.80 1x1f h THR 67 N 3.49 1.35 0.00 1.96 2.02 0.17 -3.49 112.91 118.40 1x1f h THR 67 Ca -0.49 -2.94 0.00 0.00 0.77 0.00 0.00 66.41 63.75 1x1f h THR 67 Cb 1.38 2.87 0.00 0.00 -1.74 0.00 0.00 68.15 70.66 1x1f h THR 67 CO 0.76 0.86 0.00 0.00 0.37 0.00 0.00 175.52 177.50 1x1f s LEU 69 N 0.00 1.55 0.46 0.00 0.20 -1.26 -2.00 118.68 117.63 1x1f s LEU 69 Ca 0.00 -0.32 0.08 0.00 0.69 0.00 0.00 54.13 54.58 1x1f s LEU 69 Cb 0.00 -0.87 0.01 0.00 -0.43 0.00 0.00 46.19 44.90 1x1f s LEU 69 CO 0.00 -0.00 0.51 0.42 -0.29 0.00 0.00 176.35 176.99 1x1f s THR 70 N 0.95 2.58 -0.16 3.68 -4.23 -1.08 -4.97 115.64 112.42 1x1f s THR 70 Ca -0.09 -1.19 -0.01 0.00 -1.18 0.00 0.00 61.69 59.23 1x1f s THR 70 Cb -0.15 -2.77 0.04 0.00 1.34 0.00 0.00 72.50 70.96 1x1f s THR 70 CO 0.00 0.00 -0.05 -1.61 -0.54 0.00 0.00 174.62 172.43 1x1f s GLU 71 N -4.31 1.34 -0.27 3.99 2.02 -1.26 -2.90 118.70 117.31 1x1f s GLU 71 Ca 0.51 -0.46 -0.29 0.00 0.02 0.00 0.00 54.97 54.75 1x1f s GLU 71 Cb -0.06 -1.93 -0.01 0.00 0.10 0.00 0.00 34.13 32.23 1x1f s GLU 71 CO 0.31 -0.43 1.46 -0.65 0.02 0.00 0.00 175.26 175.97 1x1f s GLN 72 N 1.67 3.82 0.79 1.61 -1.52 0.55 -4.98 119.66 121.60 1x1f s GLN 72 Ca 0.01 1.41 -0.12 0.00 -1.95 0.00 0.00 55.36 54.71 1x1f s GLN 72 Cb -0.15 -3.97 0.07 0.00 -0.22 0.00 0.00 33.01 28.74 1x1f s GLN 72 CO -0.08 -1.25 1.12 0.54 -0.25 0.00 0.00 175.29 175.38 1x1f s ASN 73 N 3.58 4.14 0.03 5.90 2.20 -1.26 -4.73 114.94 124.81 1x1f s ASN 73 Ca 0.64 2.01 0.00 0.00 -0.94 0.00 0.00 52.86 54.57 1x1f s ASN 73 Cb -0.20 -2.55 0.00 0.00 -2.00 0.00 0.00 41.25 36.50 1x1f s ASN 73 CO 0.27 -2.28 0.00 -0.24 -2.94 0.00 0.00 177.10 171.90 1x1f n SER 74 N -3.45 -0.29 -3.60 3.54 2.88 -1.26 -5.14 113.62 106.30 1x1f n SER 74 Ca 0.11 0.14 -0.16 0.00 -1.33 0.00 0.00 58.87 57.63 1x1f n SER 74 Cb 0.52 0.46 -0.07 0.00 -0.75 0.00 0.00 64.21 64.38 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 -2.00 0.01 -0.83 2.46 2.01 -1.26 -5.07 115.64 110.95 1x1f s THR 75 Ca 0.00 -0.08 -0.22 0.00 0.31 0.00 0.00 61.69 61.71 1x1f s THR 75 Cb 0.00 -0.90 -0.19 0.00 0.01 0.00 0.00 72.50 71.42 1x1f s THR 75 CO 0.00 -0.04 2.36 -0.62 -0.69 0.00 0.00 174.62 175.62 1x1f n GLU 76 N 1.50 0.43 -2.40 4.92 1.02 -1.26 -2.99 120.64 121.86 1x1f n GLU 76 Ca -0.18 -0.55 -0.02 0.00 -0.02 0.00 0.00 57.16 56.39 1x1f n GLU 76 Cb 0.56 -2.91 0.00 0.00 -0.02 0.00 0.00 31.44 29.08 1x1f n GLU 76 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1x1f n LYS 77 N 7.94 -2.18 -3.30 3.49 4.76 -1.26 -5.05 118.16 122.56 1x1f n LYS 77 Ca 0.52 1.95 -0.09 0.00 -2.87 0.00 0.00 58.31 57.82 1x1f n LYS 77 Cb 0.35 -4.26 -0.05 0.00 -1.84 0.00 0.00 35.03 29.22 1x1f n LYS 77 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1x1f s ASN 78 N -1.55 0.20 0.35 4.39 2.47 -1.16 -5.12 114.94 114.52 1x1f s ASN 78 Ca 0.07 -0.86 0.00 0.00 0.42 0.00 0.00 52.86 52.49 1x1f s ASN 78 Cb -0.02 1.12 0.00 0.00 -1.45 0.00 0.00 41.25 40.90 1x1f s ASN 78 CO 0.55 -0.28 0.00 0.00 -3.72 0.00 0.00 177.10 173.65 1x1f s ALA 80 N -3.55 3.21 -0.15 0.00 0.00 -1.26 -5.06 121.76 114.95 1x1f s ALA 80 Ca 0.00 -1.28 -0.02 0.00 0.00 0.00 0.00 51.96 50.66 1x1f s ALA 80 Cb 0.00 -2.23 0.05 0.00 0.00 0.00 0.00 23.12 20.93 1x1f s ALA 80 CO 0.00 -0.72 0.02 0.15 0.00 0.00 0.00 175.76 175.20 1x1f s LYS 81 N 1.61 0.72 0.02 0.00 1.02 -1.26 -3.86 119.74 117.98 1x1f s LYS 81 Ca 0.05 -0.26 0.00 0.00 0.02 0.00 0.00 55.97 55.79 1x1f s LYS 81 Cb -0.16 -1.73 -0.02 0.00 -0.52 0.00 0.00 37.83 35.40 1x1f s LYS 81 CO 0.05 -0.51 -0.03 -0.59 -0.92 0.00 0.00 175.35 173.35 1x1f s PHE 82 N 1.87 0.25 -0.09 3.18 -0.12 -1.19 -0.33 117.98 121.56 1x1f s PHE 82 Ca 0.01 -0.50 -0.02 0.00 -0.05 0.00 0.00 56.93 56.38 1x1f s PHE 82 Cb -0.15 -0.18 -0.03 0.00 -0.63 0.00 0.00 43.02 42.02 1x1f s PHE 82 CO -0.07 -0.18 -0.01 0.99 -0.05 0.00 0.00 175.22 175.90 1x1f s THR 83 N -1.37 4.21 -0.54 -4.49 2.01 -1.14 -2.08 115.64 112.23 1x1f s THR 83 Ca -0.15 -0.29 -0.25 0.00 0.31 0.00 0.00 61.69 61.31 1x1f s THR 83 Cb -0.09 -2.76 0.04 0.00 0.01 0.00 0.00 72.50 69.69 1x1f s THR 83 CO -0.01 0.60 0.99 -0.76 -0.69 0.00 0.00 174.62 174.75 1x1f s LEU 84 N -0.81 3.96 -0.42 4.42 2.01 0.33 -2.63 118.68 125.55 1x1f s LEU 84 Ca 0.12 -0.18 -0.26 0.00 0.01 0.00 0.00 54.13 53.82 1x1f s LEU 84 Cb -0.11 -2.96 0.02 0.00 0.01 0.00 0.00 46.19 43.15 1x1f s LEU 84 CO 0.02 -1.24 0.97 -0.69 1.01 0.00 0.00 176.35 176.42 1x1f s VAL 85 N 4.10 4.48 0.24 -1.59 1.01 -0.85 -1.20 120.40 126.59 1x1f s VAL 85 Ca 0.34 1.07 0.10 0.00 0.00 0.00 0.00 61.98 63.49 1x1f s VAL 85 Cb -0.11 -4.42 -0.04 0.00 0.00 0.00 0.00 36.38 31.80 1x1f s VAL 85 CO 0.22 -0.72 -0.12 -0.76 0.00 0.00 0.00 175.10 173.71 1x1f s LEU 86 N 3.75 2.84 0.00 3.92 1.43 -1.23 0.18 118.68 129.58 1x1f s LEU 86 Ca 0.40 -0.77 0.24 0.00 -1.03 0.00 0.00 54.13 52.96 1x1f s LEU 86 Cb -0.10 -1.44 1.41 0.00 0.03 0.00 0.00 46.19 46.08 1x1f s LEU 86 CO 0.23 0.06 1.79 -0.81 0.23 0.00 0.00 176.35 177.86 1x1f n PRO 87 N -0.38 0.71 -0.01 1.29 -0.04 -1.26 -3.69 135.00 131.63 1x1f n PRO 87 Ca -0.08 0.01 -0.04 0.00 -0.04 0.00 0.00 63.50 63.34 1x1f n PRO 87 Cb 0.58 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.03 0.20 -3.65 0.54 5.02 -1.26 -5.10 118.16 112.89 1x1f n LYS 88 Ca 0.17 0.08 -0.15 0.00 -2.02 0.00 0.00 58.31 56.39 1x1f n LYS 88 Cb 0.09 -0.84 -0.08 0.00 -0.02 0.00 0.00 35.03 34.19 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 -2.32 0.83 0.07 1.97 2.12 -1.24 -5.15 118.70 114.97 1x1f s GLU 89 Ca -0.11 0.14 -0.20 0.00 0.36 0.00 0.00 54.97 55.16 1x1f s GLU 89 Cb 0.02 0.38 -0.07 0.00 0.26 0.00 0.00 34.13 34.73 1x1f s GLU 89 CO 0.16 -0.23 0.59 -1.21 -0.54 0.00 0.00 175.26 174.03 1x1f s GLU 90 N -1.02 4.25 0.18 4.30 2.02 -1.26 -3.50 118.70 123.66 1x1f s GLU 90 Ca -0.10 0.77 0.10 0.00 0.02 0.00 0.00 54.97 55.76 1x1f s GLU 90 Cb -0.03 -3.26 -0.04 0.00 0.10 0.00 0.00 34.13 30.90 1x1f s GLU 90 CO 0.06 0.58 -0.21 0.08 0.02 0.00 0.00 175.26 175.79 1x1f s VAL 91 N -0.93 2.08 -0.03 2.63 1.01 -0.34 -4.51 120.40 120.31 1x1f s VAL 91 Ca 0.30 -1.95 -0.01 0.00 0.00 0.00 0.00 61.98 60.32 1x1f s VAL 91 Cb -0.20 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 1x1f s VAL 91 CO 0.19 -0.20 0.05 -1.10 0.00 0.00 0.00 175.10 174.04 1x1f s GLN 92 N -2.68 3.01 -0.04 2.72 -0.21 -1.25 0.12 119.66 121.34 1x1f s GLN 92 Ca 0.18 -0.46 0.01 0.00 0.02 0.00 0.00 55.36 55.11 1x1f s GLN 92 Cb -0.07 -2.83 0.02 0.00 1.00 0.00 0.00 33.01 31.13 1x1f s GLN 92 CO 0.08 0.67 -0.05 -0.51 -2.12 0.00 0.00 175.29 173.36 1x1f s LEU 93 N -1.43 1.41 0.01 2.90 1.02 -0.89 -2.80 118.68 118.91 1x1f s LEU 93 Ca 0.19 -0.13 0.03 0.00 0.02 0.00 0.00 54.13 54.23 1x1f s LEU 93 Cb -0.12 -0.45 -0.01 0.00 0.02 0.00 0.00 46.19 45.63 1x1f s LEU 93 CO 0.09 -0.04 -0.08 -0.75 0.02 0.00 0.00 176.35 175.59 1x1f s LYS 94 N 0.80 0.62 0.00 1.70 2.20 -0.69 -3.20 119.74 121.17 1x1f s LYS 94 Ca -0.11 -0.45 0.00 0.00 -0.36 0.00 0.00 55.97 55.05 1x1f s LYS 94 Cb -0.14 -0.56 0.00 0.00 -1.51 0.00 0.00 37.83 35.62 1x1f s LYS 94 CO 0.00 0.14 0.00 0.25 -0.36 0.00 0.00 175.35 175.39 1x1f n THR 95 N 2.42 0.00 -0.02 3.43 -2.24 -1.25 -1.78 114.28 114.84 1x1f n THR 95 Ca -0.16 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.56 1x1f n THR 95 Cb 0.56 -0.36 -0.02 0.00 -2.10 0.00 0.00 70.33 68.41 1x1f n THR 95 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x1f n GLU 96 N -0.22 0.19 -3.29 -0.78 1.02 -1.26 -4.92 120.64 111.37 1x1f n GLU 96 Ca 0.00 0.08 -0.21 0.00 -0.02 0.00 0.00 57.16 57.01 1x1f n GLU 96 Cb 0.00 -0.83 0.02 0.00 -0.02 0.00 0.00 31.44 30.61 1x1f n GLU 96 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1x1f s ASN 97 N -5.94 5.11 -0.02 1.62 0.01 -1.26 -4.98 114.94 109.48 1x1f s ASN 97 Ca -0.11 -0.83 -0.24 0.00 -0.71 0.00 0.00 52.86 50.97 1x1f s ASN 97 Cb 0.03 -0.01 -0.17 0.00 0.41 0.00 0.00 41.25 41.50 1x1f s ASN 97 CO 0.16 -1.06 1.12 0.74 -1.51 0.00 0.00 177.10 176.55 1x1f h THR 98 N 0.53 0.97 -0.25 1.60 2.02 -1.97 -3.20 112.91 112.61 1x1f h THR 98 Ca -0.35 -0.95 0.03 0.00 0.77 0.00 0.00 66.41 65.91 1x1f h THR 98 Cb 1.29 1.51 -0.06 0.00 -1.74 0.00 0.00 68.15 69.15 1x1f h THR 98 CO 0.48 0.21 -0.40 -0.08 0.37 0.00 0.00 175.52 176.09 1x1f h GLU 99 N -0.70 -0.31 -1.35 6.66 4.81 -2.00 0.38 114.58 122.07 1x1f h GLU 99 Ca -0.02 0.02 0.46 0.00 -0.13 0.00 0.00 59.36 59.69 1x1f h GLU 99 Cb 0.50 0.07 -0.13 0.00 0.63 0.00 0.00 28.75 29.82 1x1f h GLU 99 CO 0.04 -0.21 0.87 0.45 -0.73 0.00 0.00 179.01 179.43 1x1f n SER 100 N -4.65 0.20 0.11 1.04 2.88 -1.25 -0.10 113.62 111.86 1x1f n SER 100 Ca -0.03 1.33 -0.04 0.00 -1.33 0.00 0.00 58.87 58.79 1x1f n SER 100 Cb 0.25 -0.65 -0.02 0.00 -0.75 0.00 0.00 64.21 63.04 1x1f n SER 100 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1x1f h GLY 101 N 0.00 -0.30 1.24 0.46 0.00 -0.23 -1.10 103.07 103.14 1x1f h GLY 101 Ca 0.85 0.11 0.10 0.00 0.00 0.00 0.00 47.33 48.40 1x1f h GLY 101 CO -0.44 -0.11 0.28 0.83 0.00 0.00 0.00 176.54 177.10 1x1f h GLU 102 N -0.28 0.00 0.70 4.80 3.07 -0.51 0.18 114.58 122.54 1x1f h GLU 102 Ca -0.03 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.80 1x1f h GLU 102 Cb 0.21 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.13 1x1f h GLU 102 CO 0.05 0.00 -0.34 0.93 -1.40 0.00 0.00 179.01 178.24 1x1f h GLU 103 N 0.00 -0.92 0.72 2.33 5.08 -0.25 0.33 114.58 121.87 1x1f h GLU 103 Ca 0.17 0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.56 1x1f h GLU 103 Cb 0.73 0.21 0.01 0.00 0.50 0.00 0.00 28.75 30.19 1x1f h GLU 103 CO -0.00 -0.61 -0.34 -1.49 -1.00 0.00 0.00 179.01 175.56 1x1f h TRP 104 N -0.95 -0.89 -0.92 4.33 4.06 -0.71 0.47 115.95 121.34 1x1f h TRP 104 Ca -0.10 -0.02 0.18 0.00 2.06 0.00 0.00 58.89 61.01 1x1f h TRP 104 Cb 0.73 0.29 -0.17 0.00 -1.00 0.00 0.00 29.16 29.02 1x1f h TRP 104 CO 0.06 -0.55 -0.26 -2.13 -3.56 0.00 0.00 178.44 172.00 1x1f n ARG 105 N -5.03 -0.11 0.07 0.49 0.63 0.60 0.19 116.66 113.51 1x1f n ARG 105 Ca -0.12 1.43 -0.13 0.00 -0.92 0.00 0.00 57.85 58.11 1x1f n ARG 105 Cb 0.38 -2.13 -0.09 0.00 0.45 0.00 0.00 32.46 31.07 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 -0.20 0.41 5.14 0.00 -0.22 0.64 103.07 108.84 1x1f h GLY 106 Ca 0.42 0.08 0.10 0.00 0.00 0.00 0.00 47.33 47.92 1x1f h GLY 106 CO -0.94 -0.07 0.32 0.74 0.00 0.00 0.00 176.54 176.59 1x1f h PHE 107 N -0.55 0.56 0.21 5.60 0.04 0.37 0.17 116.94 123.35 1x1f h PHE 107 Ca -0.02 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 1x1f h PHE 107 Cb 0.42 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.43 1x1f h PHE 107 CO 0.04 0.18 -0.10 0.82 -0.60 0.00 0.00 178.31 178.64 1x1f h ILE 108 N 0.54 0.87 -0.11 -0.55 5.03 0.21 -0.09 117.51 123.41 1x1f h ILE 108 Ca 0.35 -0.53 0.03 0.00 -0.12 0.00 0.00 64.86 64.58 1x1f h ILE 108 Cb 0.40 1.18 -0.00 0.00 -3.03 0.00 0.00 36.82 35.37 1x1f h ILE 108 CO -0.29 0.12 0.41 -0.07 -0.68 0.00 0.00 178.15 177.63 1x1f h LEU 109 N -0.56 0.00 0.15 1.44 3.38 -0.24 0.60 115.31 120.08 1x1f h LEU 109 Ca -0.03 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.60 1x1f h LEU 109 Cb 0.41 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1x1f h LEU 109 CO 0.05 0.00 -1.75 0.74 0.09 0.00 0.00 178.44 177.57 1x1f h THR 110 N 0.00 0.92 -0.40 0.22 2.02 -0.23 -0.89 112.91 114.55 1x1f h THR 110 Ca 0.05 -2.55 -0.08 0.00 0.77 0.00 0.00 66.41 64.60 1x1f h THR 110 Cb 0.87 2.70 -0.05 0.00 -1.74 0.00 0.00 68.15 69.92 1x1f h THR 110 CO -0.00 0.84 0.11 1.33 0.37 0.00 0.00 175.52 178.17 1x1f n VAL 111 N -3.51 1.79 0.00 3.16 0.24 0.18 -2.57 118.33 117.62 1x1f n VAL 111 Ca -0.24 -0.89 0.00 0.00 -2.04 0.00 0.00 64.34 61.17 1x1f n VAL 111 Cb 1.06 -0.46 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 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 0.14 0.00 1.38 3.34 -2.24 0.42 -4.72 114.28 112.59 1x1f n THR 112 Ca 0.21 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.13 1x1f n THR 112 Cb 0.91 -0.45 0.53 0.00 -2.10 0.00 0.00 70.33 69.21 1x1f n THR 112 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x1f n GLU 113 N -2.25 0.87 -1.81 -0.78 1.02 -0.34 -4.89 120.64 112.46 1x1f n GLU 113 Ca 0.00 -0.40 -0.20 0.00 -0.02 0.00 0.00 57.16 56.54 1x1f n GLU 113 Cb 0.08 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 29.94 1x1f n GLU 113 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1x1f n LEU 114 N -0.71 -1.55 0.00 -4.62 7.99 -1.06 -4.89 117.00 112.16 1x1f n LEU 114 Ca 0.14 0.35 0.00 0.00 -0.01 0.00 0.00 56.01 56.50 1x1f n LEU 114 Cb 0.31 -2.76 0.00 0.00 -0.11 0.00 0.00 43.42 40.86 1x1f n LEU 114 CO 0.23 -0.80 0.00 -0.24 -1.51 0.00 0.00 177.39 175.07 1x1f n SER 115 N -1.45 0.11 -3.77 -1.43 2.88 -1.23 -5.04 113.62 103.69 1x1f n SER 115 Ca -0.21 -0.08 -0.23 0.00 -1.33 0.00 0.00 58.87 57.02 1x1f n SER 115 Cb 0.66 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.94 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 -0.98 0.41 -0.06 2.46 1.01 -1.26 -4.14 120.40 117.84 1x1f s VAL 116 Ca 0.00 0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.73 1x1f s VAL 116 Cb 0.00 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 1x1f s VAL 116 CO 0.00 0.22 1.22 -2.16 0.00 0.00 0.00 175.10 174.38 1x1f s PRO 117 N 1.96 4.33 -0.09 2.72 0.04 -1.26 -4.90 135.00 137.80 1x1f s PRO 117 Ca 0.04 1.70 0.13 0.00 0.04 0.00 0.00 61.00 62.91 1x1f s PRO 117 Cb -0.13 -3.58 0.54 0.00 0.04 0.00 0.00 34.50 31.37 1x1f s PRO 117 CO -0.06 -0.48 1.40 1.04 0.04 0.00 0.00 177.00 178.94 1x1f n GLN 118 N 5.35 3.09 -0.93 4.56 1.13 -1.26 -3.96 117.38 125.35 1x1f n GLN 118 Ca 0.11 -2.12 -0.09 0.00 -1.94 0.00 0.00 57.00 52.96 1x1f n GLN 118 Cb 0.46 -1.76 0.22 0.00 0.11 0.00 0.00 30.24 29.27 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 0.74 3.41 -4.66 1.08 4.13 -1.26 -4.94 115.26 113.76 1x1f n ASN 119 Ca 0.19 -3.55 -0.35 0.00 1.68 0.00 0.00 54.58 52.55 1x1f n ASN 119 Cb 0.71 -0.71 -0.09 0.00 -1.54 0.00 0.00 39.78 38.15 1x1f n ASN 119 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1x1f s VAL 120 N -3.18 4.95 -0.97 2.41 -7.23 -1.25 -4.96 120.40 110.17 1x1f s VAL 120 Ca 0.50 0.02 0.22 0.00 -1.81 0.00 0.00 61.98 60.91 1x1f s VAL 120 Cb 0.43 -3.24 0.19 0.00 0.56 0.00 0.00 36.38 34.32 1x1f s VAL 120 CO 0.06 0.45 1.70 -0.24 -0.31 0.00 0.00 175.10 176.77 1x1f n SER 121 N 3.54 0.06 -4.16 4.85 2.88 -1.26 -4.86 113.62 114.68 1x1f n SER 121 Ca -0.16 0.51 -0.35 0.00 -1.33 0.00 0.00 58.87 57.54 1x1f n SER 121 Cb 0.52 -0.52 0.07 0.00 -0.75 0.00 0.00 64.21 63.53 1x1f n SER 121 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1x1f n LEU 122 N -1.56 -3.69 -4.58 2.46 7.94 -1.26 -4.91 117.00 111.40 1x1f n LEU 122 Ca 0.05 0.21 -0.28 0.00 -1.11 0.00 0.00 56.01 54.88 1x1f n LEU 122 Cb 0.26 -0.91 0.22 0.00 0.53 0.00 0.00 43.42 43.52 1x1f n LEU 122 CO 0.21 -4.89 0.58 -0.76 -1.11 0.00 0.00 177.39 171.41 1x1f s LEU 123 N 4.45 1.21 0.00 -1.96 2.01 -1.26 -4.79 118.68 118.34 1x1f s LEU 123 Ca 0.46 1.38 0.22 0.00 0.01 0.00 0.00 54.13 56.20 1x1f s LEU 123 Cb -0.17 -3.42 1.02 0.00 0.01 0.00 0.00 46.19 43.63 1x1f s LEU 123 CO 0.76 -3.71 1.71 -0.81 1.01 0.00 0.00 176.35 175.32 1x1f n PRO 124 N -4.58 0.14 -0.08 1.29 -0.04 -1.26 -2.09 135.00 128.39 1x1f n PRO 124 Ca 0.04 0.10 -0.13 0.00 -0.04 0.00 0.00 63.50 63.48 1x1f n PRO 124 Cb 0.56 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.37 1x1f n PRO 124 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x1f n GLY 125 N 0.70 -0.81 0.18 0.55 0.00 -1.26 -4.19 105.19 100.36 1x1f n GLY 125 Ca 0.08 -0.23 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 1x1f n GLY 125 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1x1f h GLN 126 N 0.01 0.60 -0.93 1.61 1.08 -1.88 -3.14 115.11 112.46 1x1f h GLN 126 Ca -0.48 -0.60 0.22 0.00 -1.45 0.00 0.00 58.65 56.34 1x1f h GLN 126 Cb 2.10 0.16 -0.07 0.00 -0.05 0.00 0.00 27.48 29.61 1x1f h GLN 126 CO 0.02 1.21 0.62 0.28 -0.95 0.00 0.00 178.83 180.01 1x1f h VAL 127 N 0.22 0.64 -0.51 -0.54 2.07 -1.62 0.20 116.25 116.72 1x1f h VAL 127 Ca -0.09 -0.13 0.10 0.00 0.82 0.00 0.00 66.70 67.39 1x1f h VAL 127 Cb 1.45 0.22 -0.08 0.00 -1.52 0.00 0.00 31.29 31.36 1x1f h VAL 127 CO 0.16 0.07 0.04 0.40 0.02 0.00 0.00 177.57 178.25 1x1f h ILE 128 N 0.39 0.64 -0.86 4.57 2.04 -1.71 -0.40 117.51 122.18 1x1f h ILE 128 Ca 0.49 -0.05 0.17 0.00 1.00 0.00 0.00 64.86 66.47 1x1f h ILE 128 Cb 1.26 0.47 -0.16 0.00 -0.74 0.00 0.00 36.82 37.65 1x1f h ILE 128 CO -0.19 0.03 -0.24 0.11 0.00 0.00 0.00 178.15 177.85 1x1f h LYS 129 N 0.15 -0.01 -0.78 2.37 1.79 -0.72 1.46 116.57 120.83 1x1f h LYS 129 Ca 0.26 0.00 0.14 0.00 -2.18 0.00 0.00 60.65 58.86 1x1f h LYS 129 Cb 0.38 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 30.94 1x1f h LYS 129 CO -0.40 -0.01 0.36 -0.07 -1.08 0.00 0.00 179.45 178.26 1x1f h LEU 130 N -0.01 0.40 -0.20 2.94 3.38 -1.12 1.60 115.31 122.29 1x1f h LEU 130 Ca 0.40 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.45 1x1f h LEU 130 Cb 0.63 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1x1f h LEU 130 CO -0.89 0.17 0.06 0.45 0.09 0.00 0.00 178.44 178.32 1x1f h HIS 131 N 0.53 0.33 0.61 1.13 3.86 0.20 -0.23 115.15 121.59 1x1f h HIS 131 Ca 0.42 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.57 1x1f h HIS 131 Cb 0.60 -0.09 0.01 0.00 1.06 0.00 0.00 27.41 28.98 1x1f h HIS 131 CO -0.13 0.41 -0.29 0.93 0.86 0.00 0.00 177.93 179.71 1x1f h GLU 132 N 0.15 -0.79 -0.81 2.45 5.08 0.15 -1.75 114.58 119.06 1x1f h GLU 132 Ca 0.07 0.05 0.20 0.00 -1.00 0.00 0.00 59.36 58.68 1x1f h GLU 132 Cb 0.24 0.18 -0.13 0.00 0.50 0.00 0.00 28.75 29.54 1x1f h GLU 132 CO -0.00 -0.48 0.20 0.28 -1.00 0.00 0.00 179.01 178.01 1x1f h VAL 133 N -1.01 0.41 0.00 3.13 2.07 0.22 0.35 116.25 121.42 1x1f h VAL 133 Ca -0.08 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1x1f h VAL 133 Cb 0.68 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1x1f h VAL 133 CO 0.14 0.04 -0.00 0.25 0.02 0.00 0.00 177.57 178.02 1x1f h LEU 134 N 0.24 -0.01 -1.45 2.57 5.85 -0.86 0.72 115.31 122.37 1x1f h LEU 134 Ca 0.48 0.00 0.37 0.00 0.84 0.00 0.00 57.88 59.57 1x1f h LEU 134 Cb 0.90 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.82 1x1f h LEU 134 CO -0.59 -0.00 0.79 1.05 -0.34 0.00 0.00 178.44 179.35 1x1f h GLU 135 N -0.01 0.19 0.31 1.25 4.11 -0.54 0.74 114.58 120.63 1x1f h GLU 135 Ca -0.00 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.40 1x1f h GLU 135 Cb 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1x1f h GLU 135 CO -0.00 0.13 -0.15 0.00 0.07 0.00 0.00 179.01 179.06 1x1f h ARG 136 N 0.20 -0.40 0.00 1.06 2.47 0.47 -2.47 114.38 115.70 1x1f h ARG 136 Ca 0.72 0.03 -0.07 0.00 -1.26 0.00 0.00 59.98 59.39 1x1f h ARG 136 Cb 2.16 0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 30.57 1x1f h ARG 136 CO -0.33 -0.24 -0.34 1.05 0.56 0.00 0.00 179.97 180.67 1x1f h GLU 137 N -0.46 0.00 -0.09 0.04 4.11 0.21 -3.12 114.58 115.27 1x1f h GLU 137 Ca -0.04 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.43 1x1f h GLU 137 Cb 0.35 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 1x1f h GLU 137 CO 0.07 0.34 -0.27 0.87 0.07 0.00 0.00 179.01 180.09 1x1f h LYS 138 N 0.00 -0.35 -0.69 1.06 1.57 0.70 -0.96 116.57 117.90 1x1f h LYS 138 Ca -0.00 0.02 0.15 0.00 -1.87 0.00 0.00 60.65 58.95 1x1f h LYS 138 Cb 0.79 0.08 -0.12 0.00 0.08 0.00 0.00 32.23 33.05 1x1f h LYS 138 CO 0.04 -0.23 -0.04 0.87 -0.57 0.00 0.00 179.45 179.52 1x1f h LYS 139 N -0.36 0.08 -0.95 3.15 1.79 -1.42 0.40 116.57 119.26 1x1f h LYS 139 Ca 0.09 -0.00 0.29 0.00 -2.18 0.00 0.00 60.65 58.85 1x1f h LYS 139 Cb 0.49 -0.02 -0.16 0.00 -1.58 0.00 0.00 32.23 30.97 1x1f h LYS 139 CO -0.29 0.05 0.32 -0.09 -1.08 0.00 0.00 179.45 178.35 1x1f h ARG 140 N 0.08 0.15 -1.07 3.15 2.43 -1.27 1.13 114.38 118.98 1x1f h ARG 140 Ca 0.36 -0.01 0.31 0.00 -0.81 0.00 0.00 59.98 59.83 1x1f h ARG 140 Cb 0.60 -0.03 -0.12 0.00 -0.42 0.00 0.00 29.97 30.00 1x1f h ARG 140 CO -0.63 0.10 0.66 0.00 -1.51 0.00 0.00 179.97 178.59 1x1f h ARG 141 N 0.15 0.35 0.00 0.20 3.08 0.02 0.11 114.38 118.29 1x1f h ARG 141 Ca 0.65 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.68 1x1f h ARG 141 Cb 1.46 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.43 1x1f h ARG 141 CO -0.72 0.23 0.00 -0.89 -1.07 0.00 0.00 179.97 177.52 1x1f n ILE 142 N -4.79 0.00 -0.09 2.04 5.41 0.39 -3.80 119.36 118.52 1x1f n ILE 142 Ca 0.29 0.63 -0.09 0.00 1.00 0.00 0.00 62.75 64.58 1x1f n ILE 142 Cb 0.98 -1.45 -0.07 0.00 -0.71 0.00 0.00 39.64 38.39 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 -0.25 -5.77 0.38 5.08 -1.63 -3.47 114.58 108.93 1x1f h GLU 143 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1x1f h GLU 143 Cb 0.00 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1x1f h GLU 143 CO 0.00 -0.17 -0.99 -1.13 -1.00 0.00 0.00 179.01 175.73 1x1f n SER 144 N -4.45 -7.06 -1.91 1.42 3.41 0.37 -5.02 113.62 100.37 1x1f n SER 144 Ca -0.02 0.92 0.00 0.00 -0.26 0.00 0.00 58.87 59.51 1x1f n SER 144 Cb 0.22 -3.40 0.00 0.00 -0.26 0.00 0.00 64.21 60.78 1x1f n SER 144 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x1f n GLY 145 N 1.09 1.27 0.13 5.00 0.00 -1.26 -5.01 105.19 106.42 1x1f n GLY 145 Ca -0.02 -1.64 -0.16 0.00 0.00 0.00 0.00 46.02 44.20 1x1f n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x1f h PRO 146 N 0.00 0.37 -5.76 1.61 0.13 -2.04 -3.49 132.00 122.82 1x1f h PRO 146 Ca 0.00 -0.36 -0.08 0.00 -0.87 0.00 0.00 66.00 64.69 1x1f h PRO 146 Cb 0.00 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.23 1x1f h PRO 146 CO 0.00 1.03 -0.92 0.45 -0.23 0.00 0.00 178.00 178.33 1x1f n SER 147 N -4.31 -7.15 -2.82 1.44 2.88 -1.26 -4.43 113.62 97.97 1x1f n SER 147 Ca -0.09 0.63 -0.02 0.00 -1.33 0.00 0.00 58.87 58.06 1x1f n SER 147 Cb 0.60 -3.71 -0.02 0.00 -0.75 0.00 0.00 64.21 60.33 1x1f n SER 147 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x1f n SER 148 N 0.40 -4.74 -0.31 -3.46 7.64 -1.26 -5.23 113.62 106.66 1x1f n SER 148 Ca 0.01 1.16 0.15 0.00 1.01 0.00 0.00 58.87 61.20 1x1f n SER 148 Cb 0.38 -3.97 0.68 0.00 -1.01 0.00 0.00 64.21 60.29 1x1f n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64