#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 -0.12 0.14 1.61 0.15 -1.26 -5.10 113.70 109.13 1x1f s SER 2 Ca 0.00 0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.76 1x1f s SER 2 Cb 0.00 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 1x1f s SER 2 CO 0.00 -0.12 0.00 -1.54 1.20 0.00 0.00 173.24 172.78 1x1f n SER 3 N 0.46 0.64 0.00 5.45 3.41 -1.26 -5.17 113.62 117.14 1x1f n SER 3 Ca -0.02 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 1x1f n SER 3 Cb 0.58 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1x1f n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x1f n GLY 4 N 2.90 1.82 1.93 5.00 0.00 -1.26 -5.12 105.19 110.46 1x1f n GLY 4 Ca 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.99 1x1f n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x1f n SER 5 N 0.00 -8.16 0.00 1.61 7.64 -1.26 -4.91 113.62 108.54 1x1f n SER 5 Ca 0.00 1.28 0.10 0.00 1.01 0.00 0.00 58.87 61.27 1x1f n SER 5 Cb 0.00 -4.56 -0.07 0.00 -1.01 0.00 0.00 64.21 58.56 1x1f n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x1f n SER 6 N 1.65 0.79 0.00 6.43 3.41 -1.26 -4.99 113.62 119.65 1x1f n SER 6 Ca 0.00 -0.72 0.00 0.00 -0.26 0.00 0.00 58.87 57.89 1x1f n SER 6 Cb 0.00 1.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.96 1x1f n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x1f n GLY 7 N 1.46 2.58 2.59 5.00 0.00 -1.26 -5.11 105.19 110.44 1x1f n GLY 7 Ca 0.03 -0.15 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 1x1f n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x1f s GLN 8 N -1.21 0.84 -0.49 1.61 -0.21 -1.26 -5.00 119.66 113.93 1x1f s GLN 8 Ca 0.00 -1.47 -0.34 0.00 0.02 0.00 0.00 55.36 53.57 1x1f s GLN 8 Cb 0.00 -0.91 0.05 0.00 1.00 0.00 0.00 33.01 33.15 1x1f s GLN 8 CO 0.00 -1.31 0.66 -0.85 -2.12 0.00 0.00 175.29 171.67 1x1f n GLU 9 N 3.37 -1.90 -3.41 2.91 0.28 -1.26 -4.88 120.64 115.74 1x1f n GLU 9 Ca 0.21 1.37 -0.44 0.00 -0.16 0.00 0.00 57.16 58.14 1x1f n GLU 9 Cb 0.48 -2.20 -0.07 0.00 1.43 0.00 0.00 31.44 31.08 1x1f n GLU 9 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1x1f s ARG 10 N -2.76 2.84 0.11 3.44 0.52 -1.26 -5.04 118.95 116.80 1x1f s ARG 10 Ca 0.34 -1.60 0.05 0.00 -0.52 0.00 0.00 55.73 53.99 1x1f s ARG 10 Cb -0.04 -4.12 -0.04 0.00 0.52 0.00 0.00 34.95 31.28 1x1f s ARG 10 CO 0.88 -1.18 -0.12 -0.48 0.02 0.00 0.00 175.30 174.41 1x1f s LEU 11 N 1.54 2.40 -0.12 2.53 2.34 -1.26 -5.14 118.68 120.97 1x1f s LEU 11 Ca 0.04 -0.80 -0.07 0.00 0.06 0.00 0.00 54.13 53.36 1x1f s LEU 11 Cb -0.27 -0.45 -0.04 0.00 -0.56 0.00 0.00 46.19 44.87 1x1f s LEU 11 CO 0.03 -0.19 0.13 -1.59 -1.06 0.00 0.00 176.35 173.67 1x1f s LYS 12 N -2.69 3.41 -0.11 1.48 -2.85 -1.26 -5.09 119.74 112.63 1x1f s LYS 12 Ca 0.07 -0.16 0.03 0.00 -1.00 0.00 0.00 55.97 54.92 1x1f s LYS 12 Cb -0.04 -3.16 0.01 0.00 -2.06 0.00 0.00 37.83 32.58 1x1f s LYS 12 CO 0.02 0.77 -0.21 0.42 0.10 0.00 0.00 175.35 176.45 1x1f s ILE 13 N -1.00 1.88 0.00 3.79 1.09 -1.26 -4.97 121.20 120.73 1x1f s ILE 13 Ca 0.15 -0.90 0.00 0.00 -1.10 0.00 0.00 60.65 58.80 1x1f s ILE 13 Cb -0.12 -1.65 0.00 0.00 -1.06 0.00 0.00 42.46 39.63 1x1f s ILE 13 CO 0.04 0.52 0.00 1.07 -0.10 0.00 0.00 174.94 176.47 1x1f n THR 14 N 3.79 0.00 -0.01 2.92 5.66 -1.26 -4.88 114.28 120.50 1x1f n THR 14 Ca -0.20 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.77 1x1f n THR 14 Cb 0.52 -0.60 -0.02 0.00 -1.55 0.00 0.00 70.33 68.68 1x1f n THR 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x1f h ALA 15 N 0.00 -0.49 0.00 1.79 0.00 -2.07 -3.38 119.26 115.12 1x1f h ALA 15 Ca 0.00 -0.01 -0.47 0.00 0.00 0.00 0.00 54.91 54.44 1x1f h ALA 15 Cb 0.55 0.72 -0.09 0.00 0.00 0.00 0.00 17.79 18.97 1x1f h ALA 15 CO 0.00 -0.54 1.68 -0.11 0.00 0.00 0.00 179.25 180.28 1x1f n LEU 16 N -3.24 0.18 -4.66 0.00 7.94 -1.26 -4.78 117.00 111.18 1x1f n LEU 16 Ca -0.01 0.13 -0.43 0.00 -1.11 0.00 0.00 56.01 54.59 1x1f n LEU 16 Cb 0.08 -0.85 -0.02 0.00 0.53 0.00 0.00 43.42 43.16 1x1f n LEU 16 CO 0.01 -0.72 1.09 -2.16 -1.11 0.00 0.00 177.39 174.51 1x1f s PRO 17 N 8.40 4.23 0.44 1.96 0.04 -1.26 -4.74 135.00 144.08 1x1f s PRO 17 Ca 1.28 1.68 -0.25 0.00 0.04 0.00 0.00 61.00 63.76 1x1f s PRO 17 Cb -1.17 -3.77 -0.09 0.00 0.04 0.00 0.00 34.50 29.51 1x1f s PRO 17 CO 0.47 -0.71 1.28 -0.11 0.04 0.00 0.00 177.00 177.97 1x1f n LEU 18 N 6.60 4.24 0.00 -3.56 7.94 -1.26 -3.48 117.00 127.47 1x1f n LEU 18 Ca 0.14 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 56.12 1x1f n LEU 18 Cb 0.45 -1.51 0.00 0.00 0.53 0.00 0.00 43.42 42.89 1x1f n LEU 18 CO 0.56 -0.66 -0.41 -1.22 -1.11 0.00 0.00 177.39 174.56 1x1f n TYR 19 N -0.35 0.00 -3.50 1.96 4.01 -0.72 -4.98 117.16 113.57 1x1f n TYR 19 Ca 0.07 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.65 1x1f n TYR 19 Cb 0.41 0.02 -0.05 0.00 -0.31 0.00 0.00 39.34 39.41 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 -1.85 -0.59 -0.16 -0.72 5.36 -1.25 -5.02 117.98 113.75 1x1f s PHE 20 Ca 0.00 0.82 -0.23 0.00 -0.96 0.00 0.00 56.93 56.55 1x1f s PHE 20 Cb 0.00 0.44 0.06 0.00 -0.34 0.00 0.00 43.02 43.18 1x1f s PHE 20 CO 0.00 -0.68 0.60 -1.83 -1.46 0.00 0.00 175.22 171.85 1x1f s GLU 21 N -2.06 0.81 0.00 10.12 1.03 -1.26 0.55 118.70 127.89 1x1f s GLU 21 Ca -0.07 0.58 0.00 0.00 0.03 0.00 0.00 54.97 55.51 1x1f s GLU 21 Cb -0.00 0.39 0.00 0.00 -0.80 0.00 0.00 34.13 33.71 1x1f s GLU 21 CO 0.02 -0.16 0.00 0.41 -1.33 0.00 0.00 175.26 174.20 1x1f n GLY 22 N 2.08 2.85 3.42 -3.83 0.00 -0.99 -5.04 105.19 103.69 1x1f n GLY 22 Ca -0.16 -0.21 -0.47 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.63 0.84 -4.15 1.61 3.72 -1.26 -3.80 117.46 113.79 1x1f n PHE 23 Ca 0.00 0.48 -0.30 0.00 -0.05 0.00 0.00 57.45 57.58 1x1f n PHE 23 Cb 0.00 -2.37 -0.08 0.00 -0.94 0.00 0.00 39.48 36.08 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 8.19 3.36 -0.20 4.37 2.96 -0.79 -4.67 118.68 131.90 1x1f s LEU 24 Ca 1.28 -0.23 -0.09 0.00 -0.22 0.00 0.00 54.13 54.87 1x1f s LEU 24 Cb -1.25 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 43.28 1x1f s LEU 24 CO 0.53 0.17 0.10 -0.76 -1.32 0.00 0.00 176.35 175.07 1x1f s LEU 25 N -2.29 3.92 -0.14 -0.68 1.43 -0.84 -2.04 118.68 118.03 1x1f s LEU 25 Ca 0.25 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 1x1f s LEU 25 Cb -0.12 -2.01 -0.00 0.00 0.03 0.00 0.00 46.19 44.09 1x1f s LEU 25 CO 0.17 0.13 -0.15 -0.63 0.23 0.00 0.00 176.35 176.10 1x1f s ILE 26 N 0.63 2.70 -0.21 -0.59 -1.09 -1.16 -2.21 121.20 119.27 1x1f s ILE 26 Ca 0.05 -0.77 0.00 0.00 -2.23 0.00 0.00 60.65 57.71 1x1f s ILE 26 Cb -0.13 -2.13 0.05 0.00 -1.58 0.00 0.00 42.46 38.68 1x1f s ILE 26 CO 0.01 0.52 -0.06 -0.75 -1.23 0.00 0.00 174.94 173.43 1x1f s LYS 27 N 0.66 1.65 0.34 2.79 2.20 -0.74 -3.61 119.74 123.03 1x1f s LYS 27 Ca -0.08 -0.85 0.03 0.00 -0.36 0.00 0.00 55.97 54.71 1x1f s LYS 27 Cb -0.16 -2.43 -0.01 0.00 -1.51 0.00 0.00 37.83 33.73 1x1f s LYS 27 CO 0.02 -0.53 0.10 0.54 -0.36 0.00 0.00 175.35 175.12 1x1f n ARG 28 N 4.72 0.71 -1.58 4.03 1.74 -1.26 -2.07 116.66 122.95 1x1f n ARG 28 Ca -0.13 -2.79 -0.38 0.00 -0.77 0.00 0.00 57.85 53.78 1x1f n ARG 28 Cb 0.45 1.39 -0.05 0.00 -1.02 0.00 0.00 32.46 33.23 1x1f n ARG 28 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1x1f n SER 29 N -1.57 2.96 0.00 0.55 7.64 -1.26 -2.86 113.62 119.08 1x1f n SER 29 Ca -0.07 -2.71 0.00 0.00 1.01 0.00 0.00 58.87 57.10 1x1f n SER 29 Cb 0.49 -1.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 1x1f n SER 29 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x1f n GLY 30 N 4.96 0.00 0.80 0.23 0.00 -1.26 -5.06 105.19 104.86 1x1f n GLY 30 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 0.00 0.00 1.61 4.01 -1.13 -5.03 117.16 116.61 1x1f n TYR 31 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1x1f n TYR 31 Cb 0.00 0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 1x1f n TYR 31 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1x1f n ARG 32 N -2.14 0.00 -4.12 -0.72 0.00 -1.26 -4.81 116.66 103.61 1x1f n ARG 32 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.70 1x1f n ARG 32 Cb 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 32.46 32.44 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 0.00 0.36 -0.03 -0.14 -1.05 -1.26 -5.11 118.70 111.48 1x1f s GLU 33 Ca 0.00 -0.16 -0.37 0.00 -0.15 0.00 0.00 54.97 54.29 1x1f s GLU 33 Cb 0.00 -0.35 -0.16 0.00 -0.44 0.00 0.00 34.13 33.19 1x1f s GLU 33 CO 0.00 0.10 1.54 0.66 0.95 0.00 0.00 175.26 178.51 1x1f n TYR 34 N 2.96 1.85 -4.10 4.83 4.01 -1.26 -4.95 117.16 120.50 1x1f n TYR 34 Ca -0.13 0.50 -0.33 0.00 -0.16 0.00 0.00 57.90 57.77 1x1f n TYR 34 Cb 0.58 -2.43 -0.07 0.00 -0.31 0.00 0.00 39.34 37.11 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 1.78 3.10 -0.41 -0.72 0.41 -1.24 -4.95 118.70 116.66 1x1f s GLU 35 Ca 0.89 -0.45 -0.21 0.00 -0.41 0.00 0.00 54.97 54.79 1x1f s GLU 35 Cb -0.93 -2.88 0.02 0.00 -1.78 0.00 0.00 34.13 28.56 1x1f s GLU 35 CO 0.52 0.66 0.65 -1.01 -0.49 0.00 0.00 175.26 175.59 1x1f s HIS 36 N -1.16 3.08 -0.02 1.61 3.76 -1.26 -2.98 115.29 118.31 1x1f s HIS 36 Ca 0.22 0.09 0.03 0.00 -0.15 0.00 0.00 55.06 55.25 1x1f s HIS 36 Cb -0.12 -3.32 -0.00 0.00 1.11 0.00 0.00 32.58 30.25 1x1f s HIS 36 CO 0.13 -0.81 -0.10 0.71 -0.85 0.00 0.00 174.74 173.82 1x1f s TYR 37 N 2.83 1.04 -0.68 1.40 2.02 -0.87 -4.92 117.35 118.17 1x1f s TYR 37 Ca 0.24 -0.25 -0.26 0.00 -0.37 0.00 0.00 57.07 56.43 1x1f s TYR 37 Cb -0.14 -0.72 -0.06 0.00 -0.40 0.00 0.00 41.96 40.64 1x1f s TYR 37 CO 0.18 -0.08 2.12 -0.46 -1.57 0.00 0.00 175.55 175.73 1x1f s TRP 38 N 0.06 1.45 0.12 2.71 -0.11 0.52 -1.88 118.94 121.82 1x1f s TRP 38 Ca -0.01 1.16 -0.18 0.00 1.22 0.00 0.00 56.10 58.29 1x1f s TRP 38 Cb -0.08 -3.83 -0.07 0.00 -1.50 0.00 0.00 33.47 27.99 1x1f s TRP 38 CO 0.00 -2.09 0.60 0.99 -4.62 0.00 0.00 176.95 171.83 1x1f s THR 39 N 11.14 4.72 -0.06 5.86 2.01 -1.25 -0.28 115.64 137.78 1x1f s THR 39 Ca 0.80 1.15 0.01 0.00 0.31 0.00 0.00 61.69 63.96 1x1f s THR 39 Cb -0.12 -3.86 0.02 0.00 0.01 0.00 0.00 72.50 68.54 1x1f s THR 39 CO 0.14 0.42 -0.07 -1.61 -0.69 0.00 0.00 174.62 172.82 1x1f s GLU 40 N -1.47 1.14 -0.17 4.92 2.02 0.93 -2.33 118.70 123.74 1x1f s GLU 40 Ca 0.34 -0.19 -0.19 0.00 0.02 0.00 0.00 54.97 54.95 1x1f s GLU 40 Cb -0.18 -1.10 -0.03 0.00 0.10 0.00 0.00 34.13 32.91 1x1f s GLU 40 CO 0.20 -0.09 0.54 -1.17 0.02 0.00 0.00 175.26 174.75 1x1f s LEU 41 N 1.04 4.19 -0.10 1.80 0.20 0.19 -1.86 118.68 124.14 1x1f s LEU 41 Ca -0.09 0.76 -0.05 0.00 0.69 0.00 0.00 54.13 55.45 1x1f s LEU 41 Cb -0.14 -2.76 0.05 0.00 -0.43 0.00 0.00 46.19 42.91 1x1f s LEU 41 CO -0.00 -0.15 0.23 -0.13 -0.29 0.00 0.00 176.35 176.01 1x1f s ARG 42 N 1.39 0.17 1.24 1.98 0.52 -1.24 -1.76 118.95 121.26 1x1f s ARG 42 Ca 0.26 0.56 0.00 0.00 -0.52 0.00 0.00 55.73 56.03 1x1f s ARG 42 Cb -0.16 -0.12 0.00 0.00 0.52 0.00 0.00 34.95 35.19 1x1f s ARG 42 CO 0.10 -0.19 0.00 0.41 0.02 0.00 0.00 175.30 175.64 1x1f n GLY 43 N 4.49 0.36 1.64 -3.53 0.00 -1.23 -0.34 105.19 106.59 1x1f n GLY 43 Ca -0.21 0.46 -0.02 0.00 0.00 0.00 0.00 46.02 46.25 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 0.15 -3.72 2.61 -2.24 -1.26 -4.89 114.28 104.94 1x1f n THR 44 Ca 0.00 -0.82 -0.25 0.00 -2.27 0.00 0.00 64.05 60.72 1x1f n THR 44 Cb 0.00 0.83 -0.17 0.00 -2.10 0.00 0.00 70.33 68.89 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 -0.43 0.29 0.05 4.28 2.01 0.54 -3.90 115.64 118.49 1x1f s THR 45 Ca 0.15 -0.12 -0.31 0.00 0.31 0.00 0.00 61.69 61.73 1x1f s THR 45 Cb 0.23 -0.67 -0.05 0.00 0.01 0.00 0.00 72.50 72.02 1x1f s THR 45 CO -0.08 0.00 1.18 -0.76 -0.69 0.00 0.00 174.62 174.27 1x1f s LEU 46 N 1.98 4.37 -0.18 4.42 1.43 0.93 -3.62 118.68 128.02 1x1f s LEU 46 Ca 0.03 1.98 0.00 0.00 -1.03 0.00 0.00 54.13 55.11 1x1f s LEU 46 Cb -0.14 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.51 1x1f s LEU 46 CO -0.07 -0.45 -0.17 -0.36 0.23 0.00 0.00 176.35 175.53 1x1f s PHE 47 N 1.08 2.80 -0.13 0.29 0.40 -0.77 0.10 117.98 121.75 1x1f s PHE 47 Ca 0.58 -1.39 -0.06 0.00 -0.60 0.00 0.00 56.93 55.46 1x1f s PHE 47 Cb -0.29 -1.94 -0.04 0.00 0.51 0.00 0.00 43.02 41.27 1x1f s PHE 47 CO 0.29 -0.69 0.10 -0.06 0.70 0.00 0.00 175.22 175.56 1x1f s PHE 48 N 1.20 3.45 -0.04 0.36 0.08 0.97 -0.05 117.98 123.95 1x1f s PHE 48 Ca 0.02 0.39 0.01 0.00 0.12 0.00 0.00 56.93 57.47 1x1f s PHE 48 Cb -0.14 -1.96 0.02 0.00 -0.57 0.00 0.00 43.02 40.37 1x1f s PHE 48 CO -0.08 0.56 -0.05 0.71 -0.10 0.00 0.00 175.22 176.26 1x1f s TYR 49 N -0.66 0.78 0.50 0.36 2.02 0.61 -0.30 117.35 120.66 1x1f s TYR 49 Ca 0.12 -0.21 0.16 0.00 -0.37 0.00 0.00 57.07 56.77 1x1f s TYR 49 Cb -0.12 -0.65 1.20 0.00 -0.40 0.00 0.00 41.96 41.99 1x1f s TYR 49 CO 0.02 -0.17 2.10 1.79 -1.57 0.00 0.00 175.55 177.73 1x1f h THR 50 N 5.98 1.02 -2.49 -0.71 1.35 -1.86 1.52 112.91 117.73 1x1f h THR 50 Ca -0.37 -0.22 0.05 0.00 -0.55 0.00 0.00 66.41 65.32 1x1f h THR 50 Cb 1.16 1.12 -0.15 0.00 -1.73 0.00 0.00 68.15 68.55 1x1f h THR 50 CO 0.48 0.06 0.37 -1.81 -0.25 0.00 0.00 175.52 174.37 1x1f s ASP 51 N -7.01 -0.46 0.28 5.36 1.11 -1.26 -4.60 116.67 110.09 1x1f s ASP 51 Ca -0.05 0.07 -0.02 0.00 0.18 0.00 0.00 52.55 52.74 1x1f s ASP 51 Cb 0.16 0.47 0.40 0.00 1.07 0.00 0.00 42.92 45.02 1x1f s ASP 51 CO 0.67 -0.73 1.85 0.07 1.18 0.00 0.00 175.17 178.21 1x1f h LYS 52 N 2.10 0.91 -0.59 8.23 2.10 -1.95 -2.25 116.57 125.12 1x1f h LYS 52 Ca -0.27 -0.15 0.07 0.00 -2.00 0.00 0.00 60.65 58.31 1x1f h LYS 52 Cb 1.26 -0.15 -0.06 0.00 -0.90 0.00 0.00 32.23 32.37 1x1f h LYS 52 CO 0.34 0.75 0.26 0.87 -2.00 0.00 0.00 179.45 179.67 1x1f h LYS 53 N 0.89 0.46 -6.52 0.07 1.79 -1.99 -3.42 116.57 107.85 1x1f h LYS 53 Ca 0.21 -0.03 -0.60 0.00 -2.18 0.00 0.00 60.65 58.05 1x1f h LYS 53 Cb 0.20 -0.10 0.10 0.00 -1.58 0.00 0.00 32.23 30.84 1x1f h LYS 53 CO -0.02 0.30 0.31 0.43 -1.08 0.00 0.00 179.45 179.39 1x1f n SER 54 N -4.93 1.84 -0.08 0.86 7.64 -0.85 -4.91 113.62 113.18 1x1f n SER 54 Ca 0.07 1.17 -0.23 0.00 1.01 0.00 0.00 58.87 60.90 1x1f n SER 54 Cb 0.22 -1.34 -0.12 0.00 -1.01 0.00 0.00 64.21 61.96 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 0.73 1.59 -3.13 0.44 2.08 -1.26 -4.90 119.36 114.91 1x1f n ILE 55 Ca 0.10 -0.25 -0.33 0.00 0.56 0.00 0.00 62.75 62.83 1x1f n ILE 55 Cb 0.32 -1.92 -0.06 0.00 -0.75 0.00 0.00 39.64 37.22 1x1f n ILE 55 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1x1f s ILE 56 N -2.44 4.67 -0.13 1.39 1.01 -1.26 -5.04 121.20 119.39 1x1f s ILE 56 Ca -0.29 0.98 -0.22 0.00 0.00 0.00 0.00 60.65 61.12 1x1f s ILE 56 Cb 0.07 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 1x1f s ILE 56 CO 0.62 -0.16 0.68 -0.72 0.00 0.00 0.00 174.94 175.36 1x1f s TYR 57 N -1.95 3.48 0.24 3.97 -0.85 -1.26 -4.79 117.35 116.18 1x1f s TYR 57 Ca 0.53 1.11 -0.10 0.00 -0.52 0.00 0.00 57.07 58.09 1x1f s TYR 57 Cb -0.11 -2.81 0.35 0.00 0.38 0.00 0.00 41.96 39.77 1x1f s TYR 57 CO 0.18 -0.04 1.61 -0.24 -1.52 0.00 0.00 175.55 175.54 1x1f h VAL 58 N 4.97 0.28 -2.01 -3.49 3.04 -1.02 -3.43 116.25 114.58 1x1f h VAL 58 Ca -0.36 -0.01 -0.01 0.00 -1.01 0.00 0.00 66.70 65.31 1x1f h VAL 58 Cb 1.17 0.25 -0.19 0.00 -2.01 0.00 0.00 31.29 30.50 1x1f h VAL 58 CO 0.77 0.01 0.31 -1.81 -1.01 0.00 0.00 177.57 175.84 1x1f s ASP 59 N -5.22 -0.55 0.23 3.17 1.01 -1.19 -5.04 116.67 109.08 1x1f s ASP 59 Ca -0.14 0.51 0.10 0.00 0.71 0.00 0.00 52.55 53.73 1x1f s ASP 59 Cb 0.22 0.47 -0.05 0.00 1.01 0.00 0.00 42.92 44.58 1x1f s ASP 59 CO 0.75 -0.58 -0.19 -1.59 0.21 0.00 0.00 175.17 173.78 1x1f s LYS 60 N -1.58 1.49 0.26 8.23 -2.85 -1.26 -0.02 119.74 124.01 1x1f s LYS 60 Ca -0.06 -1.63 0.03 0.00 -1.00 0.00 0.00 55.97 53.31 1x1f s LYS 60 Cb -0.00 -1.51 -0.05 0.00 -2.06 0.00 0.00 37.83 34.20 1x1f s LYS 60 CO 0.04 0.29 0.04 -0.51 0.10 0.00 0.00 175.35 175.30 1x1f s LEU 61 N -3.21 2.04 -0.03 2.77 1.43 0.28 -4.96 118.68 117.01 1x1f s LEU 61 Ca 0.24 -1.30 0.02 0.00 -1.03 0.00 0.00 54.13 52.06 1x1f s LEU 61 Cb -0.04 -0.22 0.01 0.00 0.03 0.00 0.00 46.19 45.97 1x1f s LEU 61 CO 0.11 -0.59 -0.06 -0.62 0.23 0.00 0.00 176.35 175.42 1x1f s ASP 62 N -3.35 0.93 -0.09 2.29 2.15 -1.26 -0.05 116.67 117.29 1x1f s ASP 62 Ca 0.33 -0.14 0.21 0.00 0.43 0.00 0.00 52.55 53.38 1x1f s ASP 62 Cb 0.07 -0.35 0.43 0.00 -0.30 0.00 0.00 42.92 42.77 1x1f s ASP 62 CO 0.12 -0.00 1.18 2.30 -0.17 0.00 0.00 175.17 178.59 1x1f n ILE 63 N 3.67 0.81 0.01 4.11 -5.35 -1.25 -4.81 119.36 116.55 1x1f n ILE 63 Ca -0.22 -1.88 -0.19 0.00 -0.27 0.00 0.00 62.75 60.20 1x1f n ILE 63 Cb 0.53 0.59 -0.10 0.00 -1.74 0.00 0.00 39.64 38.92 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 5.01 1.34 -0.32 7.28 3.04 -1.85 -3.02 116.25 127.74 1x1f h VAL 64 Ca -0.14 -2.12 0.00 0.00 -1.01 0.00 0.00 66.70 63.43 1x1f h VAL 64 Cb 1.59 2.40 0.00 0.00 -2.01 0.00 0.00 31.29 33.26 1x1f h VAL 64 CO 0.10 0.64 0.00 0.47 -1.01 0.00 0.00 177.57 177.77 1x1f n ASP 65 N -4.03 3.14 -4.53 3.17 8.00 -1.26 -4.91 116.55 116.14 1x1f n ASP 65 Ca -0.10 -2.37 -0.51 0.00 0.71 0.00 0.00 54.79 52.51 1x1f n ASP 65 Cb 0.77 -0.52 -0.05 0.00 -0.02 0.00 0.00 41.12 41.30 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 0.39 0.62 0.05 0.64 7.94 -1.14 -4.35 117.00 121.16 1x1f n LEU 66 Ca 0.14 1.14 -0.16 0.00 -1.11 0.00 0.00 56.01 56.03 1x1f n LEU 66 Cb 0.65 -1.09 -0.14 0.00 0.53 0.00 0.00 43.42 43.36 1x1f n LEU 66 CO 0.15 -1.77 -0.35 0.74 -1.11 0.00 0.00 177.39 175.05 1x1f h THR 67 N 2.44 1.12 0.00 1.96 2.02 0.17 -3.49 112.91 117.14 1x1f h THR 67 Ca -0.42 -2.80 0.00 0.00 0.77 0.00 0.00 66.41 63.96 1x1f h THR 67 Cb 1.38 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 70.50 1x1f h THR 67 CO 0.66 0.80 0.00 0.00 0.37 0.00 0.00 175.52 177.35 1x1f s LEU 69 N 0.00 1.34 0.36 0.00 0.20 -1.26 -2.19 118.68 117.14 1x1f s LEU 69 Ca 0.00 -0.24 0.07 0.00 0.69 0.00 0.00 54.13 54.65 1x1f s LEU 69 Cb 0.00 -0.70 -0.00 0.00 -0.43 0.00 0.00 46.19 45.06 1x1f s LEU 69 CO 0.00 -0.05 0.51 0.42 -0.29 0.00 0.00 176.35 176.93 1x1f s THR 70 N 1.13 3.76 -0.08 3.68 -4.23 -1.00 -4.93 115.64 113.97 1x1f s THR 70 Ca -0.07 -0.98 0.02 0.00 -1.18 0.00 0.00 61.69 59.48 1x1f s THR 70 Cb -0.14 -3.29 0.02 0.00 1.34 0.00 0.00 72.50 70.42 1x1f s THR 70 CO -0.01 -0.12 -0.12 -1.61 -0.54 0.00 0.00 174.62 172.22 1x1f s GLU 71 N -4.24 1.76 -0.04 3.99 2.02 -1.26 -2.38 118.70 118.54 1x1f s GLU 71 Ca 0.48 -0.41 -0.23 0.00 0.02 0.00 0.00 54.97 54.82 1x1f s GLU 71 Cb -0.10 -1.51 -0.04 0.00 0.10 0.00 0.00 34.13 32.58 1x1f s GLU 71 CO 0.32 -0.03 0.70 -0.65 0.02 0.00 0.00 175.26 175.62 1x1f s GLN 72 N 0.87 4.44 0.12 1.61 -1.52 0.46 -4.97 119.66 120.68 1x1f s GLN 72 Ca -0.10 0.90 -0.32 0.00 -1.95 0.00 0.00 55.36 53.88 1x1f s GLN 72 Cb -0.15 -3.43 -0.11 0.00 -0.22 0.00 0.00 33.01 29.10 1x1f s GLN 72 CO 0.01 0.12 1.53 -0.97 -0.25 0.00 0.00 175.29 175.74 1x1f h ASN 73 N 6.51 -1.78 -3.61 5.90 -1.24 -2.00 -3.43 115.58 115.93 1x1f h ASN 73 Ca -0.42 0.23 0.22 0.00 0.71 0.00 0.00 56.30 57.04 1x1f h ASN 73 Cb 1.20 0.72 -0.06 0.00 0.73 0.00 0.00 38.32 40.90 1x1f h ASN 73 CO 0.74 -0.42 -0.35 -1.20 -1.29 0.00 0.00 177.43 174.91 1x1f n SER 74 N -5.32 -4.98 -4.55 1.15 7.64 -1.26 -2.88 113.62 103.42 1x1f n SER 74 Ca -0.04 0.39 -0.27 0.00 1.01 0.00 0.00 58.87 59.96 1x1f n SER 74 Cb 0.34 -2.57 -0.05 0.00 -1.01 0.00 0.00 64.21 60.93 1x1f n SER 74 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1x1f s THR 75 N -1.95 3.08 -0.83 0.44 2.01 -1.26 -3.63 115.64 113.51 1x1f s THR 75 Ca 0.00 -0.01 -0.03 0.00 0.31 0.00 0.00 61.69 61.96 1x1f s THR 75 Cb 0.00 -3.19 0.00 0.00 0.01 0.00 0.00 72.50 69.32 1x1f s THR 75 CO 0.00 -0.18 0.58 -0.62 -0.69 0.00 0.00 174.62 173.71 1x1f n GLU 76 N 8.94 -1.37 -3.29 4.92 1.02 -1.26 -2.86 120.64 126.74 1x1f n GLU 76 Ca 0.39 0.65 -0.17 0.00 -0.02 0.00 0.00 57.16 58.01 1x1f n GLU 76 Cb 0.49 -2.13 0.02 0.00 -0.02 0.00 0.00 31.44 29.81 1x1f n GLU 76 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1x1f n LYS 77 N -2.76 -1.20 -3.89 3.49 4.81 -1.14 -4.97 118.16 112.49 1x1f n LYS 77 Ca -0.30 1.20 -0.24 0.00 -0.87 0.00 0.00 58.31 58.10 1x1f n LYS 77 Cb 0.66 -1.82 -0.17 0.00 0.02 0.00 0.00 35.03 33.71 1x1f n LYS 77 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1x1f s ASN 78 N -1.29 1.78 0.55 3.14 2.47 -1.14 -5.07 114.94 115.39 1x1f s ASN 78 Ca 0.17 -0.19 0.00 0.00 0.42 0.00 0.00 52.86 53.26 1x1f s ASN 78 Cb -0.02 -0.62 0.00 0.00 -1.45 0.00 0.00 41.25 39.16 1x1f s ASN 78 CO 0.43 -0.14 0.00 0.00 -3.72 0.00 0.00 177.10 173.67 1x1f s ALA 80 N -4.14 3.44 -0.15 0.00 0.00 -1.26 -5.01 121.76 114.63 1x1f s ALA 80 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.51 1x1f s ALA 80 Cb 0.00 -3.48 0.03 0.00 0.00 0.00 0.00 23.12 19.67 1x1f s ALA 80 CO 0.00 -1.50 -0.10 0.15 0.00 0.00 0.00 175.76 174.31 1x1f s LYS 81 N 3.33 1.86 0.02 0.00 1.02 -1.26 -4.00 119.74 120.71 1x1f s LYS 81 Ca 0.36 -0.50 -0.07 0.00 0.02 0.00 0.00 55.97 55.78 1x1f s LYS 81 Cb -0.13 -1.98 -0.00 0.00 -0.52 0.00 0.00 37.83 35.20 1x1f s LYS 81 CO 0.17 -0.31 0.13 -0.59 -0.92 0.00 0.00 175.35 173.83 1x1f s PHE 82 N 1.57 0.09 -0.09 3.18 -0.12 -1.21 -0.40 117.98 121.00 1x1f s PHE 82 Ca 0.03 -0.26 0.01 0.00 -0.05 0.00 0.00 56.93 56.66 1x1f s PHE 82 Cb -0.14 -0.07 -0.03 0.00 -0.63 0.00 0.00 43.02 42.16 1x1f s PHE 82 CO -0.09 -0.33 -0.09 0.99 -0.05 0.00 0.00 175.22 175.65 1x1f s THR 83 N -1.87 3.49 -0.38 -4.49 2.01 -1.00 -2.17 115.64 111.23 1x1f s THR 83 Ca -0.11 -0.54 -0.27 0.00 0.31 0.00 0.00 61.69 61.07 1x1f s THR 83 Cb -0.05 -2.43 0.02 0.00 0.01 0.00 0.00 72.50 70.04 1x1f s THR 83 CO -0.01 0.57 1.01 -0.76 -0.69 0.00 0.00 174.62 174.75 1x1f s LEU 84 N -0.46 3.91 -0.44 4.42 2.01 0.91 -2.39 118.68 126.65 1x1f s LEU 84 Ca 0.06 0.70 -0.19 0.00 0.01 0.00 0.00 54.13 54.70 1x1f s LEU 84 Cb -0.12 -3.41 0.02 0.00 0.01 0.00 0.00 46.19 42.70 1x1f s LEU 84 CO 0.02 -0.95 0.57 -0.69 1.01 0.00 0.00 176.35 176.32 1x1f s VAL 85 N 3.73 4.92 0.23 -1.59 1.01 -0.93 -1.60 120.40 126.17 1x1f s VAL 85 Ca 0.42 -0.08 0.09 0.00 0.00 0.00 0.00 61.98 62.42 1x1f s VAL 85 Cb -0.11 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1x1f s VAL 85 CO 0.20 -0.55 -0.04 -0.76 0.00 0.00 0.00 175.10 173.95 1x1f s LEU 86 N 2.58 3.11 0.00 3.92 1.43 -1.21 0.19 118.68 128.70 1x1f s LEU 86 Ca 0.19 -0.61 0.20 0.00 -1.03 0.00 0.00 54.13 52.87 1x1f s LEU 86 Cb -0.15 -1.70 1.18 0.00 0.03 0.00 0.00 46.19 45.55 1x1f s LEU 86 CO 0.17 0.04 1.61 -0.81 0.23 0.00 0.00 176.35 177.59 1x1f n PRO 87 N -0.51 0.75 0.01 1.29 -0.04 -1.26 -3.73 135.00 131.50 1x1f n PRO 87 Ca -0.08 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.36 1x1f n PRO 87 Cb 0.57 -1.41 -0.01 0.00 -0.04 0.00 0.00 33.50 32.61 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 -0.91 0.13 -3.74 0.54 4.01 -1.26 -5.11 118.16 111.82 1x1f n LYS 88 Ca 0.15 0.05 -0.12 0.00 -0.51 0.00 0.00 58.31 57.87 1x1f n LYS 88 Cb 0.07 -0.67 -0.08 0.00 -0.51 0.00 0.00 35.03 33.85 1x1f n LYS 88 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 1x1f s GLU 89 N -2.06 0.79 0.02 1.97 2.12 -1.24 -5.16 118.70 115.13 1x1f s GLU 89 Ca -0.07 -0.36 -0.08 0.00 0.36 0.00 0.00 54.97 54.82 1x1f s GLU 89 Cb 0.01 0.35 -0.05 0.00 0.26 0.00 0.00 34.13 34.70 1x1f s GLU 89 CO 0.10 -0.25 0.30 -1.21 -0.54 0.00 0.00 175.26 173.67 1x1f s GLU 90 N -2.12 3.64 0.06 4.30 2.02 -1.26 -3.34 118.70 122.00 1x1f s GLU 90 Ca -0.08 0.01 0.06 0.00 0.02 0.00 0.00 54.97 54.98 1x1f s GLU 90 Cb -0.02 -3.07 -0.03 0.00 0.10 0.00 0.00 34.13 31.12 1x1f s GLU 90 CO -0.00 0.63 -0.17 0.08 0.02 0.00 0.00 175.26 175.81 1x1f s VAL 91 N -1.31 1.40 -0.24 2.63 1.01 -0.62 -4.91 120.40 118.36 1x1f s VAL 91 Ca 0.28 -1.20 -0.10 0.00 0.00 0.00 0.00 61.98 60.96 1x1f s VAL 91 Cb -0.13 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 34.94 1x1f s VAL 91 CO 0.16 0.03 0.15 -1.10 0.00 0.00 0.00 175.10 174.34 1x1f s GLN 92 N -1.37 4.03 -0.10 2.72 -0.21 -0.88 -0.06 119.66 123.80 1x1f s GLN 92 Ca 0.04 -0.29 0.01 0.00 0.02 0.00 0.00 55.36 55.14 1x1f s GLN 92 Cb -0.09 -3.51 -0.02 0.00 1.00 0.00 0.00 33.01 30.38 1x1f s GLN 92 CO 0.02 0.04 -0.11 -0.51 -2.12 0.00 0.00 175.29 172.62 1x1f s LEU 93 N 1.09 2.91 0.02 2.90 1.02 -0.92 -1.79 118.68 123.91 1x1f s LEU 93 Ca 0.07 -0.19 0.01 0.00 0.02 0.00 0.00 54.13 54.04 1x1f s LEU 93 Cb -0.14 -1.64 -0.02 0.00 0.02 0.00 0.00 46.19 44.42 1x1f s LEU 93 CO 0.05 0.26 -0.05 -0.75 0.02 0.00 0.00 176.35 175.88 1x1f s LYS 94 N -0.23 0.40 0.30 1.70 2.20 -0.94 -3.36 119.74 119.81 1x1f s LYS 94 Ca 0.02 -0.56 0.11 0.00 -0.36 0.00 0.00 55.97 55.18 1x1f s LYS 94 Cb -0.13 -0.15 -0.06 0.00 -1.51 0.00 0.00 37.83 35.98 1x1f s LYS 94 CO 0.03 0.02 -0.16 0.95 -0.36 0.00 0.00 175.35 175.83 1x1f s THR 95 N -1.10 2.38 -0.14 3.43 -4.23 -1.26 -1.99 115.64 112.73 1x1f s THR 95 Ca -0.09 -2.33 -0.20 0.00 -1.18 0.00 0.00 61.69 57.89 1x1f s THR 95 Cb -0.08 -2.42 -0.25 0.00 1.34 0.00 0.00 72.50 71.09 1x1f s THR 95 CO -0.00 -0.33 0.51 -0.33 -0.54 0.00 0.00 174.62 173.93 1x1f h GLU 96 N 2.18 0.13 -6.35 3.99 5.08 -1.94 -3.47 114.58 114.20 1x1f h GLU 96 Ca -0.41 -0.22 -0.45 0.00 -1.00 0.00 0.00 59.36 57.28 1x1f h GLU 96 Cb 1.26 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1x1f h GLU 96 CO 0.64 1.11 -0.29 -0.80 -1.00 0.00 0.00 179.01 178.67 1x1f s ASN 97 N -6.83 5.40 -0.15 1.42 -0.87 -1.26 -5.05 114.94 107.61 1x1f s ASN 97 Ca -0.22 -0.57 -0.16 0.00 -1.57 0.00 0.00 52.86 50.34 1x1f s ASN 97 Cb 0.03 -0.55 -0.13 0.00 -0.02 0.00 0.00 41.25 40.58 1x1f s ASN 97 CO 0.70 -0.77 0.25 0.74 -2.57 0.00 0.00 177.10 175.46 1x1f h THR 98 N 0.75 0.77 -0.12 1.60 2.02 -1.96 -3.27 112.91 112.69 1x1f h THR 98 Ca -0.40 -1.69 0.02 0.00 0.77 0.00 0.00 66.41 65.11 1x1f h THR 98 Cb 1.28 1.57 -0.04 0.00 -1.74 0.00 0.00 68.15 69.21 1x1f h THR 98 CO 0.49 0.26 -0.34 -0.08 0.37 0.00 0.00 175.52 176.23 1x1f h GLU 99 N -1.00 -0.32 -1.24 6.66 4.81 -2.00 0.21 114.58 121.70 1x1f h GLU 99 Ca -0.08 0.02 0.40 0.00 -0.13 0.00 0.00 59.36 59.57 1x1f h GLU 99 Cb 0.71 0.07 -0.12 0.00 0.63 0.00 0.00 28.75 30.04 1x1f h GLU 99 CO -0.05 -0.21 0.79 0.77 -0.73 0.00 0.00 179.01 179.58 1x1f h SER 100 N -0.33 0.30 -0.08 1.04 0.02 -2.00 0.47 113.55 112.96 1x1f h SER 100 Ca 0.02 0.13 0.04 0.00 -0.84 0.00 0.00 61.79 61.15 1x1f h SER 100 Cb 0.41 0.11 -0.05 0.00 0.14 0.00 0.00 62.40 63.01 1x1f h SER 100 CO -0.29 -0.14 -0.19 1.23 -1.14 0.00 0.00 176.83 176.30 1x1f h GLY 101 N 0.15 -0.19 2.00 -3.77 0.00 -0.64 0.46 103.07 101.07 1x1f h GLY 101 Ca 0.78 0.23 -0.02 0.00 0.00 0.00 0.00 47.33 48.32 1x1f h GLY 101 CO -0.42 -0.17 -0.07 0.83 0.00 0.00 0.00 176.54 176.70 1x1f h GLU 102 N -0.27 0.00 0.11 4.80 4.39 0.27 -2.17 114.58 121.72 1x1f h GLU 102 Ca 0.08 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 1x1f h GLU 102 Cb 0.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1x1f h GLU 102 CO -0.23 0.07 -0.05 0.93 -1.16 0.00 0.00 179.01 178.57 1x1f h GLU 103 N 0.00 -0.14 -0.35 2.33 5.08 -0.33 -1.86 114.58 119.31 1x1f h GLU 103 Ca -0.00 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1x1f h GLU 103 Cb 0.18 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 1x1f h GLU 103 CO 0.01 -0.09 -0.37 -1.49 -1.00 0.00 0.00 179.01 176.07 1x1f h TRP 104 N -0.22 -1.14 -0.74 4.33 4.06 -1.06 0.82 115.95 121.99 1x1f h TRP 104 Ca -0.02 0.06 0.07 0.00 2.06 0.00 0.00 58.89 61.06 1x1f h TRP 104 Cb 0.11 0.54 -0.09 0.00 -1.00 0.00 0.00 29.16 28.73 1x1f h TRP 104 CO 0.11 -0.30 -0.44 -2.13 -3.56 0.00 0.00 178.44 172.12 1x1f n ARG 105 N -4.45 -0.33 0.00 0.49 0.63 -0.82 0.49 116.66 112.67 1x1f n ARG 105 Ca -0.02 1.26 -0.02 0.00 -0.92 0.00 0.00 57.85 58.16 1x1f n ARG 105 Cb 0.21 -1.86 -0.01 0.00 0.45 0.00 0.00 32.46 31.25 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 -1.49 -0.81 5.14 0.00 -0.28 1.56 103.07 107.19 1x1f h GLY 106 Ca 0.12 0.66 0.23 0.00 0.00 0.00 0.00 47.33 48.34 1x1f h GLY 106 CO -0.70 -0.54 -0.03 0.74 0.00 0.00 0.00 176.54 176.00 1x1f h PHE 107 N -0.07 -0.15 0.14 5.60 0.04 0.14 0.45 116.94 123.11 1x1f h PHE 107 Ca 0.00 0.07 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 1x1f h PHE 107 Cb 0.07 0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.44 1x1f h PHE 107 CO -0.44 -0.38 -0.07 0.82 -0.60 0.00 0.00 178.31 177.64 1x1f h ILE 108 N 0.03 0.96 0.00 -0.55 5.03 0.84 0.53 117.51 124.36 1x1f h ILE 108 Ca 0.53 -0.46 0.00 0.00 -0.12 0.00 0.00 64.86 64.81 1x1f h ILE 108 Cb 1.00 1.25 0.00 0.00 -3.03 0.00 0.00 36.82 36.04 1x1f h ILE 108 CO -0.88 0.11 0.23 -0.07 -0.68 0.00 0.00 178.15 176.86 1x1f h LEU 109 N -0.41 0.00 0.08 1.44 3.38 0.63 0.36 115.31 120.80 1x1f h LEU 109 Ca -0.02 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.66 1x1f h LEU 109 Cb 0.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1x1f h LEU 109 CO 0.03 0.00 -1.54 0.74 0.09 0.00 0.00 178.44 177.76 1x1f h THR 110 N 0.00 0.87 -0.06 0.22 2.02 0.70 -0.35 112.91 116.31 1x1f h THR 110 Ca 0.00 -2.31 0.00 0.00 0.77 0.00 0.00 66.41 64.87 1x1f h THR 110 Cb 0.46 2.50 0.00 0.00 -1.74 0.00 0.00 68.15 69.36 1x1f h THR 110 CO 0.00 0.64 0.00 1.33 0.37 0.00 0.00 175.52 177.86 1x1f n VAL 111 N -3.95 0.08 0.01 3.16 0.24 0.33 -1.08 118.33 117.12 1x1f n VAL 111 Ca -0.29 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 1x1f n VAL 111 Cb 0.88 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.25 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 -0.36 0.15 0.94 3.34 -2.24 0.10 -4.72 114.28 111.50 1x1f n THR 112 Ca 0.05 0.05 0.14 0.00 -2.27 0.00 0.00 64.05 62.01 1x1f n THR 112 Cb 0.07 -1.39 0.53 0.00 -2.10 0.00 0.00 70.33 67.43 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 -3.02 0.04 -1.42 -0.78 1.02 -0.14 -4.88 120.64 111.45 1x1f n GLU 113 Ca 0.00 0.03 -0.15 0.00 -0.02 0.00 0.00 57.16 57.02 1x1f n GLU 113 Cb 0.38 -1.54 -0.06 0.00 -0.02 0.00 0.00 31.44 30.19 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 -1.61 -0.96 0.00 -4.62 7.99 -0.24 -4.90 117.00 112.66 1x1f n LEU 114 Ca 0.07 0.36 0.00 0.00 -0.01 0.00 0.00 56.01 56.43 1x1f n LEU 114 Cb 0.35 -2.36 0.00 0.00 -0.11 0.00 0.00 43.42 41.30 1x1f n LEU 114 CO 0.29 -0.87 0.00 -0.24 -1.51 0.00 0.00 177.39 175.06 1x1f n SER 115 N -0.72 0.05 -3.84 -1.43 2.88 -1.21 -5.03 113.62 104.32 1x1f n SER 115 Ca -0.15 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.20 1x1f n SER 115 Cb 0.53 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.83 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 0.25 0.36 -0.22 2.46 1.01 -1.26 -4.12 120.40 118.88 1x1f s VAL 116 Ca 0.00 0.01 -0.29 0.00 0.00 0.00 0.00 61.98 61.70 1x1f s VAL 116 Cb 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 36.38 35.93 1x1f s VAL 116 CO 0.00 0.20 1.31 -2.16 0.00 0.00 0.00 175.10 174.45 1x1f s PRO 117 N 1.15 4.07 -0.18 2.72 0.04 -1.26 -4.88 135.00 136.67 1x1f s PRO 117 Ca -0.08 1.50 0.06 0.00 0.04 0.00 0.00 61.00 62.53 1x1f s PRO 117 Cb -0.14 -3.83 0.46 0.00 0.04 0.00 0.00 34.50 31.03 1x1f s PRO 117 CO -0.02 -0.92 1.32 1.04 0.04 0.00 0.00 177.00 178.47 1x1f n GLN 118 N 6.98 2.85 -2.55 4.56 1.13 -1.26 -4.10 117.38 124.99 1x1f n GLN 118 Ca 0.15 -1.83 -0.20 0.00 -1.94 0.00 0.00 57.00 53.18 1x1f n GLN 118 Cb 0.46 -1.88 0.01 0.00 0.11 0.00 0.00 30.24 28.94 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 0.13 3.48 -4.52 1.08 3.02 -1.26 -5.06 115.26 112.13 1x1f n ASN 119 Ca 0.22 -3.34 -0.24 0.00 -0.03 0.00 0.00 54.58 51.19 1x1f n ASN 119 Cb 0.92 -0.49 -0.09 0.00 -0.61 0.00 0.00 39.78 39.51 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 -4.63 2.69 -1.56 2.41 -7.23 -1.26 -5.03 120.40 105.79 1x1f s VAL 120 Ca 0.40 -2.27 0.21 0.00 -1.81 0.00 0.00 61.98 58.50 1x1f s VAL 120 Cb 0.42 -2.46 -0.09 0.00 0.56 0.00 0.00 36.38 34.82 1x1f s VAL 120 CO -0.10 -0.38 0.97 -0.24 -0.31 0.00 0.00 175.10 175.04 1x1f n SER 121 N -0.70 1.58 -4.37 4.85 2.88 -1.26 -4.99 113.62 111.61 1x1f n SER 121 Ca -0.05 -1.29 -0.33 0.00 -1.33 0.00 0.00 58.87 55.86 1x1f n SER 121 Cb 0.60 0.67 0.11 0.00 -0.75 0.00 0.00 64.21 64.84 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 -0.58 -0.83 -4.58 2.46 7.94 -1.26 -4.94 117.00 115.22 1x1f n LEU 122 Ca 0.07 0.32 -0.28 0.00 -1.11 0.00 0.00 56.01 55.01 1x1f n LEU 122 Cb 0.40 -1.16 0.22 0.00 0.53 0.00 0.00 43.42 43.41 1x1f n LEU 122 CO 0.32 -3.89 0.57 -0.76 -1.11 0.00 0.00 177.39 172.53 1x1f s LEU 123 N -0.03 1.15 0.00 -1.96 2.01 -1.26 -4.79 118.68 113.80 1x1f s LEU 123 Ca 0.55 1.35 0.22 0.00 0.01 0.00 0.00 54.13 56.26 1x1f s LEU 123 Cb -0.21 -3.37 1.02 0.00 0.01 0.00 0.00 46.19 43.64 1x1f s LEU 123 CO 0.69 -3.74 1.72 -0.81 1.01 0.00 0.00 176.35 175.22 1x1f n PRO 124 N -4.59 0.14 -0.08 1.29 -0.04 -1.26 -2.12 135.00 128.34 1x1f n PRO 124 Ca 0.04 0.10 -0.13 0.00 -0.04 0.00 0.00 63.50 63.47 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 -4.23 105.19 100.32 1x1f n GLY 125 Ca 0.08 -0.23 -0.17 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 0.58 -0.98 1.61 1.08 -1.88 -3.11 115.11 112.42 1x1f h GLN 126 Ca -0.49 -0.53 0.25 0.00 -1.45 0.00 0.00 58.65 56.43 1x1f h GLN 126 Cb 2.10 0.13 -0.07 0.00 -0.05 0.00 0.00 27.48 29.59 1x1f h GLN 126 CO 0.02 1.15 0.66 0.28 -0.95 0.00 0.00 178.83 179.99 1x1f h VAL 127 N 0.19 0.58 -0.59 -0.54 2.07 -1.63 0.31 116.25 116.64 1x1f h VAL 127 Ca -0.06 -0.10 0.11 0.00 0.82 0.00 0.00 66.70 67.47 1x1f h VAL 127 Cb 1.33 0.25 -0.09 0.00 -1.52 0.00 0.00 31.29 31.27 1x1f h VAL 127 CO 0.14 0.05 0.09 0.40 0.02 0.00 0.00 177.57 178.27 1x1f h ILE 128 N 0.30 0.61 -0.50 4.57 2.04 -1.71 -0.51 117.51 122.31 1x1f h ILE 128 Ca 0.52 -0.07 0.10 0.00 1.00 0.00 0.00 64.86 66.40 1x1f h ILE 128 Cb 1.49 0.38 -0.10 0.00 -0.74 0.00 0.00 36.82 37.84 1x1f h ILE 128 CO -0.17 0.04 -0.29 0.11 0.00 0.00 0.00 178.15 177.84 1x1f h LYS 129 N 0.22 -0.16 -1.03 2.37 1.79 -0.51 1.28 116.57 120.52 1x1f h LYS 129 Ca 0.31 0.01 0.29 0.00 -2.18 0.00 0.00 60.65 59.08 1x1f h LYS 129 Cb 0.47 0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 31.10 1x1f h LYS 129 CO -0.42 -0.11 0.73 -0.07 -1.08 0.00 0.00 179.45 178.50 1x1f h LEU 130 N -0.17 0.11 0.00 2.94 3.38 -1.13 1.87 115.31 122.32 1x1f h LEU 130 Ca 0.22 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1x1f h LEU 130 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1x1f h LEU 130 CO -0.59 0.03 -0.00 0.45 0.09 0.00 0.00 178.44 178.41 1x1f h HIS 131 N 0.10 -0.00 -0.88 1.13 3.86 0.17 -2.69 115.15 116.83 1x1f h HIS 131 Ca 0.51 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.72 1x1f h HIS 131 Cb 1.85 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 30.28 1x1f h HIS 131 CO -0.00 0.93 0.53 0.93 0.86 0.00 0.00 177.93 181.18 1x1f h GLU 132 N -0.97 1.20 -0.62 2.45 5.08 0.27 -1.63 114.58 120.34 1x1f h GLU 132 Ca -0.00 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1x1f h GLU 132 Cb 0.93 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 1x1f h GLU 132 CO 0.00 0.84 0.37 0.28 -1.00 0.00 0.00 179.01 179.49 1x1f h VAL 133 N 1.21 1.19 0.28 3.13 2.07 0.27 0.44 116.25 124.84 1x1f h VAL 133 Ca 0.32 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1x1f h VAL 133 Cb -0.05 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1x1f h VAL 133 CO -0.06 0.20 -0.21 0.25 0.02 0.00 0.00 177.57 177.77 1x1f h LEU 134 N 0.85 -0.56 -1.91 2.57 5.85 -1.03 0.60 115.31 121.68 1x1f h LEU 134 Ca 0.22 0.04 0.29 0.00 0.84 0.00 0.00 57.88 59.27 1x1f h LEU 134 Cb -0.00 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 1x1f h LEU 134 CO -0.04 -0.30 0.72 -0.33 -0.34 0.00 0.00 178.44 178.15 1x1f h GLU 135 N -0.47 0.06 0.57 1.25 5.08 -1.25 0.62 114.58 120.44 1x1f h GLU 135 Ca -0.04 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1x1f h GLU 135 Cb 0.39 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.63 1x1f h GLU 135 CO 0.01 0.04 -0.28 0.00 -1.00 0.00 0.00 179.01 177.78 1x1f h ARG 136 N 0.06 -0.74 0.00 2.33 2.47 -0.00 -2.97 114.38 115.53 1x1f h ARG 136 Ca 0.50 0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 59.25 1x1f h ARG 136 Cb 1.87 0.17 -0.00 0.00 -1.65 0.00 0.00 29.97 30.35 1x1f h ARG 136 CO -0.04 -0.50 -0.09 1.05 0.56 0.00 0.00 179.97 180.95 1x1f h GLU 137 N -0.92 0.00 0.10 0.04 4.11 0.25 -2.89 114.58 115.27 1x1f h GLU 137 Ca -0.08 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.37 1x1f h GLU 137 Cb 0.59 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 1x1f h GLU 137 CO 0.13 0.09 -0.49 0.87 0.07 0.00 0.00 179.01 179.68 1x1f h LYS 138 N 0.00 -0.68 -0.91 1.06 1.57 0.35 -1.48 116.57 116.47 1x1f h LYS 138 Ca -0.00 0.05 0.16 0.00 -1.87 0.00 0.00 60.65 58.98 1x1f h LYS 138 Cb 0.24 0.15 -0.16 0.00 0.08 0.00 0.00 32.23 32.54 1x1f h LYS 138 CO 0.01 -0.45 -0.34 0.87 -0.57 0.00 0.00 179.45 178.97 1x1f h LYS 139 N -0.71 -0.03 -0.99 3.15 6.56 -1.35 0.88 116.57 124.08 1x1f h LYS 139 Ca 0.01 0.00 0.29 0.00 -1.06 0.00 0.00 60.65 59.89 1x1f h LYS 139 Cb 0.73 0.01 -0.18 0.00 -0.57 0.00 0.00 32.23 32.21 1x1f h LYS 139 CO -0.29 -0.02 0.07 -2.13 -2.06 0.00 0.00 179.45 175.03 1x1f n ARG 140 N -5.50 -0.08 -0.33 3.15 0.63 -0.57 0.19 116.66 114.15 1x1f n ARG 140 Ca 0.10 1.47 0.24 0.00 -0.92 0.00 0.00 57.85 58.75 1x1f n ARG 140 Cb 0.41 -2.36 0.47 0.00 0.45 0.00 0.00 32.46 31.43 1x1f n ARG 140 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1x1f h ARG 141 N 0.00 0.24 0.00 -0.14 3.08 0.97 -2.51 114.38 116.03 1x1f h ARG 141 Ca 0.62 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.66 1x1f h ARG 141 Cb 1.33 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.33 1x1f h ARG 141 CO -0.91 0.16 0.00 -0.89 -1.07 0.00 0.00 179.97 177.26 1x1f n ILE 142 N -5.11 0.00 -2.39 2.04 5.41 0.50 -3.03 119.36 116.76 1x1f n ILE 142 Ca 0.32 0.90 -0.43 0.00 1.00 0.00 0.00 62.75 64.54 1x1f n ILE 142 Cb 1.00 -1.54 0.00 0.00 -0.71 0.00 0.00 39.64 38.39 1x1f n ILE 142 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1x1f n GLU 143 N -0.68 3.23 0.22 0.38 -0.58 -0.95 -4.00 120.64 118.27 1x1f n GLU 143 Ca 0.00 -3.28 0.00 0.00 -0.42 0.00 0.00 57.16 53.46 1x1f n GLU 143 Cb 0.00 -3.22 0.00 0.00 -0.57 0.00 0.00 31.44 27.65 1x1f n GLU 143 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1x1f n SER 144 N 6.24 -3.72 -4.25 1.62 2.88 -1.17 -4.96 113.62 110.27 1x1f n SER 144 Ca 0.45 0.83 -0.15 0.00 -1.33 0.00 0.00 58.87 58.67 1x1f n SER 144 Cb 0.41 3.49 -0.10 0.00 -0.75 0.00 0.00 64.21 67.26 1x1f n SER 144 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x1f s GLY 145 N -2.14 1.06 -0.06 0.46 0.00 -1.19 -5.08 107.32 100.37 1x1f s GLY 145 Ca 0.00 -1.45 -0.12 0.00 0.00 0.00 0.00 44.72 43.15 1x1f s GLY 145 CO 0.00 -1.55 0.46 -0.56 0.00 0.00 0.00 173.10 171.45 1x1f h PRO 146 N 2.91 -0.29 -6.34 2.90 0.13 -1.88 -3.45 132.00 125.98 1x1f h PRO 146 Ca -0.37 0.02 -0.65 0.00 -0.87 0.00 0.00 66.00 64.13 1x1f h PRO 146 Cb 1.19 0.07 -0.12 0.00 0.13 0.00 0.00 31.00 32.26 1x1f h PRO 146 CO 0.61 -0.10 -0.66 0.45 -0.23 0.00 0.00 178.00 178.07 1x1f s SER 147 N -5.26 5.01 -0.00 1.44 0.15 -1.26 -5.12 113.70 108.66 1x1f s SER 147 Ca -0.06 -0.17 -0.16 0.00 0.70 0.00 0.00 55.95 56.26 1x1f s SER 147 Cb 0.00 -1.20 0.03 0.00 -1.71 0.00 0.00 66.02 63.14 1x1f s SER 147 CO 0.21 0.19 0.33 -0.55 1.20 0.00 0.00 173.24 174.62 1x1f s SER 148 N -2.23 -0.20 0.00 5.45 0.15 -1.26 -5.18 113.70 110.42 1x1f s SER 148 Ca 0.25 0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.96 1x1f s SER 148 Cb -0.12 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 1x1f s SER 148 CO 0.17 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 174.72