#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m3p s LEU 3 N 0.00 3.86 0.49 2.46 2.96 -1.26 -4.96 118.68 122.23 3m3p s LEU 3 Ca 0.00 2.43 -0.23 0.00 -0.22 0.00 0.00 54.13 56.11 3m3p s LEU 3 Cb 0.00 -4.38 -0.06 0.00 0.50 0.00 0.00 46.19 42.25 3m3p s LEU 3 CO 0.00 -1.28 1.25 -0.54 -1.32 0.00 0.00 176.35 174.46 3m3p s LYS 4 N -2.97 3.52 0.62 1.98 1.02 -1.26 -4.83 119.74 117.82 3m3p s LYS 4 Ca 0.70 1.99 -0.18 0.00 0.02 0.00 0.00 55.97 58.50 3m3p s LYS 4 Cb -0.31 -2.37 -0.02 0.00 -0.52 0.00 0.00 37.83 34.61 3m3p s LYS 4 CO 0.37 -0.81 1.22 -1.25 -0.92 0.00 0.00 175.35 173.96 3m3p s PRO 5 N -2.76 2.78 0.00 -1.68 0.04 -1.26 -3.77 135.00 128.36 3m3p s PRO 5 Ca 0.66 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.56 3m3p s PRO 5 Cb -0.34 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.30 3m3p s PRO 5 CO 0.41 -1.36 0.00 0.28 0.04 0.00 0.00 177.00 176.37 3m3p n VAL 6 N -1.82 0.00 -3.18 -0.36 0.31 -0.26 -1.30 118.33 111.73 3m3p n VAL 6 Ca 0.14 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.51 3m3p n VAL 6 Cb 0.49 -0.65 -0.04 0.00 -0.91 0.00 0.00 33.84 32.74 3m3p n VAL 6 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3m3p s ILE 8 N 0.00 -0.06 -0.26 2.52 1.01 -0.41 -0.77 121.20 123.23 3m3p s ILE 8 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 60.65 60.48 3m3p s ILE 8 Cb 0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.44 3m3p s ILE 8 CO 0.00 0.00 0.45 -0.63 0.00 0.00 0.00 174.94 174.76 3m3p s ILE 9 N 2.13 5.12 0.03 2.92 -1.09 0.27 -1.06 121.20 129.51 3m3p s ILE 9 Ca -0.00 0.75 0.06 0.00 -2.23 0.00 0.00 60.65 59.23 3m3p s ILE 9 Cb -0.01 -3.77 -0.03 0.00 -1.58 0.00 0.00 42.46 37.06 3m3p s ILE 9 CO -0.16 0.12 -0.13 -1.58 -1.23 0.00 0.00 174.94 171.97 3m3p s GLN 10 N 2.16 2.27 0.00 2.79 0.74 -0.24 -4.84 119.66 122.55 3m3p s GLN 10 Ca 0.19 -0.88 0.06 0.00 0.05 0.00 0.00 55.36 54.78 3m3p s GLN 10 Cb -0.16 -2.32 -0.06 0.00 1.10 0.00 0.00 33.01 31.58 3m3p s GLN 10 CO 0.09 0.56 0.29 1.19 -0.55 0.00 0.00 175.29 176.87 3m3p n PHE 11 N 1.51 0.00 -3.78 1.67 3.72 -1.26 -4.20 117.46 115.12 3m3p n PHE 11 Ca -0.16 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.16 3m3p n PHE 11 Cb 0.52 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.04 3m3p n PHE 11 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3m3p s SER 12 N -1.53 -0.29 0.31 4.37 1.04 -1.26 -4.19 113.70 112.14 3m3p s SER 12 Ca 0.03 -0.52 0.08 0.00 0.48 0.00 0.00 55.95 56.01 3m3p s SER 12 Cb 0.05 0.67 0.50 0.00 0.10 0.00 0.00 66.02 67.34 3m3p s SER 12 CO 0.25 -1.22 1.72 0.00 0.98 0.00 0.00 173.24 174.96 3m3p h ALA 13 N 2.06 1.15 0.00 5.32 0.00 -1.99 -3.25 119.26 122.55 3m3p h ALA 13 Ca -0.24 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3m3p h ALA 13 Cb 1.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3m3p h ALA 13 CO 0.29 0.58 -0.49 -1.13 0.00 0.00 0.00 179.25 178.50 3m3p n SER 14 N -4.02 0.59 -3.97 0.00 3.41 -1.26 -4.50 113.62 103.86 3m3p n SER 14 Ca -0.02 0.08 -0.36 0.00 -0.26 0.00 0.00 58.87 58.31 3m3p n SER 14 Cb 0.48 0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 64.44 3m3p n SER 14 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3m3p n GLU 15 N -1.89 3.05 -1.30 4.33 1.02 -1.23 -5.02 120.64 119.60 3m3p n GLU 15 Ca 0.04 -4.53 -0.10 0.00 -0.02 0.00 0.00 57.16 52.55 3m3p n GLU 15 Cb 0.40 -2.41 0.06 0.00 -0.02 0.00 0.00 31.44 29.46 3m3p n GLU 15 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3m3p n GLY 16 N 1.85 0.35 0.29 0.62 0.00 -1.26 -4.63 105.19 102.41 3m3p n GLY 16 Ca 0.24 -1.93 0.17 0.00 0.00 0.00 0.00 46.02 44.50 3m3p n GLY 16 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3m3p h PRO 17 N 0.00 0.00 0.00 1.61 0.11 -1.97 -3.47 132.00 128.28 3m3p h PRO 17 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 3m3p h PRO 17 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.61 3m3p h PRO 17 CO 0.14 0.05 0.00 0.41 -0.21 0.00 0.00 178.00 178.39 3m3p n GLY 18 N -0.64 2.86 0.28 -0.55 0.00 -1.26 -1.72 105.19 104.16 3m3p n GLY 18 Ca -0.02 -0.39 0.07 0.00 0.00 0.00 0.00 46.02 45.69 3m3p n GLY 18 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3m3p h HIS 19 N 0.00 0.20 -0.36 1.61 -0.00 -1.05 -2.06 115.15 113.49 3m3p h HIS 19 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.39 3m3p h HIS 19 Cb 0.00 -0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 27.32 3m3p h HIS 19 CO 0.00 0.12 0.20 0.35 -0.00 0.00 0.00 177.93 178.60 3m3p h PHE 20 N 0.21 0.37 -0.40 5.26 3.57 -1.56 -0.05 116.94 124.35 3m3p h PHE 20 Ca 0.06 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.59 3m3p h PHE 20 Cb 0.00 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 3m3p h PHE 20 CO -0.00 0.21 0.25 0.78 -2.23 0.00 0.00 178.31 177.32 3m3p h GLY 21 N 0.40 0.56 1.37 2.40 0.00 -1.30 -1.07 103.07 105.43 3m3p h GLY 21 Ca 0.14 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 3m3p h GLY 21 CO -0.08 0.18 0.19 -0.55 0.00 0.00 0.00 176.54 176.28 3m3p h ASP 22 N 0.51 0.74 -0.21 0.19 5.19 -1.35 -1.25 116.42 120.24 3m3p h ASP 22 Ca 0.15 -0.10 -0.02 0.00 -0.62 0.00 0.00 57.03 56.44 3m3p h ASP 22 Cb -0.03 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.28 3m3p h ASP 22 CO -0.05 0.69 0.07 0.15 -3.12 0.00 0.00 179.24 176.97 3m3p h PHE 23 N 0.79 0.34 -0.74 4.55 3.57 -0.67 -0.93 116.94 123.85 3m3p h PHE 23 Ca 0.18 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 3m3p h PHE 23 Cb 0.20 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 3m3p h PHE 23 CO 0.01 0.41 0.27 -0.07 -2.23 0.00 0.00 178.31 176.70 3m3p h LEU 24 N 0.17 1.04 -0.70 0.59 3.38 -0.97 -1.56 115.31 117.26 3m3p h LEU 24 Ca 0.07 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3m3p h LEU 24 Cb 0.23 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3m3p h LEU 24 CO -0.00 0.94 0.43 0.00 0.09 0.00 0.00 178.44 179.90 3m3p h ALA 25 N 1.20 0.89 0.00 1.53 0.00 -0.99 -0.70 119.26 121.19 3m3p h ALA 25 Ca 0.25 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3m3p h ALA 25 Cb 0.25 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3m3p h ALA 25 CO -0.02 0.35 -0.21 0.78 0.00 0.00 0.00 179.25 180.16 3m3p h GLY 26 N 0.95 0.00 -0.42 0.00 0.00 -0.65 -1.52 103.07 101.43 3m3p h GLY 26 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 3m3p h GLY 26 CO -0.05 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.67 3m3p n GLU 27 N -3.62 1.60 -3.95 4.80 -0.58 -0.64 -4.95 120.64 113.31 3m3p n GLU 27 Ca -0.01 -0.89 -0.30 0.00 -0.42 0.00 0.00 57.16 55.54 3m3p n GLU 27 Cb 0.34 -1.44 0.02 0.00 -0.57 0.00 0.00 31.44 29.78 3m3p n GLU 27 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3m3p n HIS 28 N 0.09 -2.17 -3.48 -0.32 8.25 -0.42 -4.97 115.22 112.19 3m3p n HIS 28 Ca 0.18 0.88 -0.39 0.00 -0.26 0.00 0.00 57.72 58.13 3m3p n HIS 28 Cb 0.31 -3.85 -0.10 0.00 1.12 0.00 0.00 29.99 27.47 3m3p n HIS 28 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3m3p s ILE 29 N -3.35 5.24 0.50 1.59 1.01 -0.40 -5.02 121.20 120.77 3m3p s ILE 29 Ca 0.61 0.26 -0.21 0.00 0.00 0.00 0.00 60.65 61.30 3m3p s ILE 29 Cb -0.31 -3.65 -0.07 0.00 0.01 0.00 0.00 42.46 38.44 3m3p s ILE 29 CO 0.85 0.14 1.15 -2.16 0.00 0.00 0.00 174.94 174.91 3m3p s PRO 30 N 1.91 3.55 0.02 2.79 0.04 -1.26 -4.45 135.00 137.61 3m3p s PRO 30 Ca 0.10 1.70 -0.04 0.00 0.04 0.00 0.00 61.00 62.80 3m3p s PRO 30 Cb -0.16 -2.21 -0.01 0.00 0.04 0.00 0.00 34.50 32.16 3m3p s PRO 30 CO 0.11 -0.70 0.07 -0.59 0.04 0.00 0.00 177.00 175.92 3m3p s PHE 31 N -1.65 0.18 -0.11 0.56 -0.12 -1.26 -1.10 117.98 114.49 3m3p s PHE 31 Ca 0.68 -0.43 -0.00 0.00 -0.05 0.00 0.00 56.93 57.14 3m3p s PHE 31 Cb -0.26 -0.14 0.02 0.00 -0.63 0.00 0.00 43.02 42.01 3m3p s PHE 31 CO 0.31 -0.29 -0.08 -0.65 -0.05 0.00 0.00 175.22 174.45 3m3p s GLN 32 N -1.97 1.55 0.06 1.99 -1.52 0.05 -4.91 119.66 114.90 3m3p s GLN 32 Ca -0.11 -0.27 -0.21 0.00 -1.95 0.00 0.00 55.36 52.82 3m3p s GLN 32 Cb -0.05 -1.56 -0.06 0.00 -0.22 0.00 0.00 33.01 31.12 3m3p s GLN 32 CO -0.02 -0.23 0.61 0.08 -0.25 0.00 0.00 175.29 175.49 3m3p s VAL 33 N 1.57 4.75 -0.10 1.09 1.01 -1.26 -1.29 120.40 126.18 3m3p s VAL 33 Ca 0.02 1.31 0.04 0.00 0.00 0.00 0.00 61.98 63.35 3m3p s VAL 33 Cb -0.13 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.30 3m3p s VAL 33 CO -0.07 0.49 -0.22 -0.76 0.00 0.00 0.00 175.10 174.55 3m3p s LEU 34 N -0.74 2.02 0.60 3.92 1.43 -0.23 -4.96 118.68 120.73 3m3p s LEU 34 Ca 0.31 -0.52 0.08 0.00 -1.03 0.00 0.00 54.13 52.97 3m3p s LEU 34 Cb -0.20 -1.32 0.10 0.00 0.03 0.00 0.00 46.19 44.80 3m3p s LEU 34 CO 0.19 0.14 0.83 -0.13 0.23 0.00 0.00 176.35 177.62 3m3p s ARG 35 N 0.41 2.18 0.00 1.70 1.81 -1.26 -1.07 118.95 122.72 3m3p s ARG 35 Ca -0.18 -1.58 0.00 0.00 -1.72 0.00 0.00 55.73 52.25 3m3p s ARG 35 Cb -0.18 -2.59 0.00 0.00 -0.45 0.00 0.00 34.95 31.73 3m3p s ARG 35 CO 0.08 -0.98 0.00 -0.40 -0.68 0.00 0.00 175.30 173.31 3m3p n ASP 37 N -2.36 0.00 -0.90 0.23 5.75 -1.26 -1.92 116.55 116.10 3m3p n ASP 37 Ca 0.16 0.00 0.08 0.00 -0.01 0.00 0.00 54.79 55.02 3m3p n ASP 37 Cb 0.62 0.00 0.20 0.00 -1.03 0.00 0.00 41.12 40.91 3m3p n ASP 37 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3m3p n ARG 38 N 0.00 2.60 -2.63 0.11 1.74 -1.26 -4.97 116.66 112.25 3m3p n ARG 38 Ca 0.00 -2.20 -0.19 0.00 -0.77 0.00 0.00 57.85 54.70 3m3p n ARG 38 Cb 0.00 -1.38 0.01 0.00 -1.02 0.00 0.00 32.46 30.07 3m3p n ARG 38 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3m3p n SER 39 N 0.99 -5.42 -4.75 0.55 7.64 -1.14 -4.96 113.62 106.53 3m3p n SER 39 Ca 0.16 -0.13 -0.41 0.00 1.01 0.00 0.00 58.87 59.49 3m3p n SER 39 Cb 0.50 -4.37 -0.02 0.00 -1.01 0.00 0.00 64.21 59.30 3m3p n SER 39 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3m3p s ASP 40 N -2.46 6.62 0.34 6.43 1.01 -0.81 -4.92 116.67 122.87 3m3p s ASP 40 Ca 0.13 2.71 -0.28 0.00 0.71 0.00 0.00 52.55 55.82 3m3p s ASP 40 Cb -0.06 -2.63 -0.09 0.00 1.01 0.00 0.00 42.92 41.15 3m3p s ASP 40 CO 0.16 -0.73 1.20 -2.84 0.21 0.00 0.00 175.17 173.18 3m3p s PRO 41 N -0.44 4.36 0.32 8.23 0.02 -1.26 -4.84 135.00 141.39 3m3p s PRO 41 Ca 0.59 1.97 -0.16 0.00 0.02 0.00 0.00 61.00 63.43 3m3p s PRO 41 Cb -0.43 -2.99 -0.09 0.00 0.02 0.00 0.00 34.50 31.01 3m3p s PRO 41 CO 0.44 -0.10 0.75 -0.51 -0.33 0.00 0.00 177.00 177.26 3m3p s LEU 42 N -1.89 4.08 0.36 -5.54 1.43 -1.26 -5.04 118.68 110.81 3m3p s LEU 42 Ca 0.50 1.33 -0.27 0.00 -1.03 0.00 0.00 54.13 54.66 3m3p s LEU 42 Cb -0.34 -4.07 -0.09 0.00 0.03 0.00 0.00 46.19 41.71 3m3p s LEU 42 CO 0.45 -0.20 1.22 -2.16 0.23 0.00 0.00 176.35 175.89 3m3p s PRO 43 N -2.90 4.25 0.32 1.29 0.04 -1.26 -4.92 135.00 131.81 3m3p s PRO 43 Ca 0.54 2.00 0.10 0.00 0.04 0.00 0.00 61.00 63.68 3m3p s PRO 43 Cb -0.11 -2.91 0.52 0.00 0.04 0.00 0.00 34.50 32.04 3m3p s PRO 43 CO 0.17 -0.20 1.72 0.00 0.04 0.00 0.00 177.00 178.73 3m3p h ALA 44 N 3.10 1.17 -3.34 8.56 0.00 -2.02 -3.41 119.26 123.32 3m3p h ALA 44 Ca -0.49 -0.43 -0.69 0.00 0.00 0.00 0.00 54.91 53.30 3m3p h ALA 44 Cb 1.23 -0.08 -0.31 0.00 0.00 0.00 0.00 17.79 18.63 3m3p h ALA 44 CO 0.64 0.60 -0.65 -2.00 0.00 0.00 0.00 179.25 177.84 3m3p s GLU 45 N -4.00 2.50 0.48 0.00 2.56 -1.26 -4.97 118.70 114.01 3m3p s GLU 45 Ca -0.03 -1.25 0.17 0.00 0.00 0.00 0.00 54.97 53.86 3m3p s GLU 45 Cb 0.14 -3.32 1.16 0.00 2.00 0.00 0.00 34.13 34.11 3m3p s GLU 45 CO 0.75 -0.66 2.03 0.97 -0.56 0.00 0.00 175.26 177.79 3m3p h ILE 46 N 6.34 0.90 0.00 -3.70 6.09 -1.93 -1.50 117.51 123.71 3m3p h ILE 46 Ca -0.22 -0.08 0.00 0.00 -1.37 0.00 0.00 64.86 63.19 3m3p h ILE 46 Cb 1.07 0.65 0.00 0.00 0.47 0.00 0.00 36.82 39.00 3m3p h ILE 46 CO 0.57 0.04 0.00 0.54 -3.07 0.00 0.00 178.15 176.23 3m3p n ARG 47 N -4.46 0.15 0.00 2.19 5.12 -1.26 -1.33 116.66 117.07 3m3p n ARG 47 Ca 0.06 0.19 0.07 0.00 -1.93 0.00 0.00 57.85 56.24 3m3p n ARG 47 Cb 0.34 -1.50 0.32 0.00 -1.16 0.00 0.00 32.46 30.47 3m3p n ARG 47 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3m3p n ASP 48 N -1.32 0.00 -4.49 0.55 9.92 -0.56 -4.76 116.55 115.88 3m3p n ASP 48 Ca 0.05 0.44 -0.30 0.00 -0.53 0.00 0.00 54.79 54.46 3m3p n ASP 48 Cb 0.10 -0.47 -0.11 0.00 -0.64 0.00 0.00 41.12 40.00 3m3p n ASP 48 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3m3p h SER 50 N 3.91 0.00 -4.57 0.00 4.64 -1.29 -3.46 113.55 112.78 3m3p h SER 50 Ca -0.49 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 60.97 3m3p h SER 50 Cb 1.17 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.10 3m3p h SER 50 CO 0.47 0.30 0.57 -0.83 -0.87 0.00 0.00 176.83 176.47 3m3p s GLY 51 N -4.40 -0.42 -0.14 -0.77 0.00 -1.26 -0.93 107.32 99.40 3m3p s GLY 51 Ca 0.04 1.13 0.01 0.00 0.00 0.00 0.00 44.72 45.90 3m3p s GLY 51 CO 0.73 0.37 -0.16 -2.27 0.00 0.00 0.00 173.10 171.77 3m3p s LEU 52 N -2.42 1.81 0.00 0.66 2.96 0.11 -4.47 118.68 117.33 3m3p s LEU 52 Ca 0.06 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.47 3m3p s LEU 52 Cb -0.01 -1.24 0.01 0.00 0.50 0.00 0.00 46.19 45.45 3m3p s LEU 52 CO -0.08 -0.01 0.05 0.00 -1.32 0.00 0.00 176.35 174.99 3m3p n ALA 53 N 4.53 0.41 -1.99 5.97 0.00 -1.26 -1.10 120.51 127.07 3m3p n ALA 53 Ca -0.18 -1.89 -0.22 0.00 0.00 0.00 0.00 53.44 51.15 3m3p n ALA 53 Cb 0.50 0.99 0.06 0.00 0.00 0.00 0.00 19.45 21.01 3m3p n ALA 53 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3m3p s GLY 56 N -3.40 1.80 0.23 0.00 0.00 -1.07 -0.56 107.32 104.32 3m3p s GLY 56 Ca 0.04 -1.57 -0.22 0.00 0.00 0.00 0.00 44.72 42.97 3m3p s GLY 56 CO 0.03 -1.17 0.74 -0.32 0.00 0.00 0.00 173.10 172.37 3m3p s GLY 57 N -4.56 -0.22 -1.33 0.20 0.00 -1.26 -4.15 107.32 96.00 3m3p s GLY 57 Ca 0.61 -0.06 -0.10 0.00 0.00 0.00 0.00 44.72 45.18 3m3p s GLY 57 CO 0.40 -0.02 2.06 -1.55 0.00 0.00 0.00 173.10 174.00 3m3p n PRO 58 N -0.44 3.64 -4.09 2.90 -0.04 -1.26 -4.84 135.00 130.87 3m3p n PRO 58 Ca -0.07 -3.30 -0.33 0.00 -0.04 0.00 0.00 63.50 59.76 3m3p n PRO 58 Cb 0.60 -2.93 -0.07 0.00 -0.04 0.00 0.00 33.50 31.06 3m3p n PRO 58 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3m3p s SER 60 N 1.21 5.74 0.65 3.54 0.15 -1.26 -5.17 113.70 118.56 3m3p s SER 60 Ca 0.44 0.18 0.35 0.00 0.70 0.00 0.00 55.95 57.63 3m3p s SER 60 Cb 0.12 -1.67 1.93 0.00 -1.71 0.00 0.00 66.02 64.69 3m3p s SER 60 CO -0.03 0.29 2.09 0.00 1.20 0.00 0.00 173.24 176.79 3m3p h ALA 61 N 4.22 1.19 -0.01 5.45 0.00 -1.96 -0.98 119.26 127.16 3m3p h ALA 61 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3m3p h ALA 61 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3m3p h ALA 61 CO 0.62 -0.19 -0.14 0.09 0.00 0.00 0.00 179.25 179.62 3m3p n ASN 62 N -2.93 1.27 -4.79 0.00 3.02 -1.26 -4.96 115.26 105.61 3m3p n ASN 62 Ca -0.02 -1.17 -0.34 0.00 -0.03 0.00 0.00 54.58 53.01 3m3p n ASN 62 Cb 0.25 0.08 -0.00 0.00 -0.61 0.00 0.00 39.78 39.49 3m3p n ASN 62 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3m3p s ASP 63 N -2.28 5.84 -0.99 6.41 1.01 -0.37 -4.95 116.67 121.34 3m3p s ASP 63 Ca 0.30 2.01 -0.15 0.00 0.71 0.00 0.00 52.55 55.42 3m3p s ASP 63 Cb 0.20 -2.56 0.18 0.00 1.01 0.00 0.00 42.92 41.75 3m3p s ASP 63 CO 0.44 -1.13 1.10 -0.62 0.21 0.00 0.00 175.17 175.17 3m3p s ASP 64 N -2.13 6.85 0.11 0.27 2.15 -1.26 -5.00 116.67 117.66 3m3p s ASP 64 Ca 0.69 -2.62 0.06 0.00 0.43 0.00 0.00 52.55 51.11 3m3p s ASP 64 Cb -0.20 -2.33 -0.04 0.00 -0.30 0.00 0.00 42.92 40.06 3m3p s ASP 64 CO 0.29 -0.77 -0.06 -0.76 -0.17 0.00 0.00 175.17 173.70 3m3p s LEU 65 N 1.29 3.21 0.44 -1.34 1.43 -1.26 -5.04 118.68 117.40 3m3p s LEU 65 Ca 0.31 -0.33 0.15 0.00 -1.03 0.00 0.00 54.13 53.24 3m3p s LEU 65 Cb -0.06 -1.96 0.98 0.00 0.03 0.00 0.00 46.19 45.17 3m3p s LEU 65 CO -0.07 0.16 1.96 1.55 0.23 0.00 0.00 176.35 180.18 3m3p h PRO 66 N 3.43 0.00 -3.10 1.29 0.13 -2.06 -3.40 132.00 128.28 3m3p h PRO 66 Ca -0.48 0.00 -0.77 0.00 -0.87 0.00 0.00 66.00 63.88 3m3p h PRO 66 Cb 1.17 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.12 3m3p h PRO 66 CO 0.55 0.22 1.79 -2.67 -0.23 0.00 0.00 178.00 177.66 3m3p n TRP 67 N -4.19 2.69 0.00 1.56 4.27 -1.26 -4.75 117.44 115.75 3m3p n TRP 67 Ca -0.02 -2.73 0.00 0.00 -3.89 0.00 0.00 57.50 50.86 3m3p n TRP 67 Cb 0.28 -1.72 0.00 0.00 -1.36 0.00 0.00 31.31 28.51 3m3p n TRP 67 CO 0.00 0.00 0.00 -2.30 -2.29 0.00 0.00 177.69 173.10 3m3p n PRO 69 N 2.60 0.00 -0.18 -2.67 -0.02 -1.26 -0.83 135.00 132.63 3m3p n PRO 69 Ca 0.42 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.81 3m3p n PRO 69 Cb 0.32 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.81 3m3p n PRO 69 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3m3p h THR 70 N 0.00 1.25 -0.27 3.45 2.02 -1.95 -1.60 112.91 115.80 3m3p h THR 70 Ca 0.00 -0.92 -0.14 0.00 0.77 0.00 0.00 66.41 66.12 3m3p h THR 70 Cb 0.00 0.85 -0.00 0.00 -1.74 0.00 0.00 68.15 67.26 3m3p h THR 70 CO 0.00 0.33 -0.40 0.25 0.37 0.00 0.00 175.52 176.07 3m3p h LEU 71 N 0.73 0.82 -0.76 2.58 5.85 -1.38 -1.31 115.31 121.83 3m3p h LEU 71 Ca 0.16 -0.51 0.01 0.00 0.84 0.00 0.00 57.88 58.38 3m3p h LEU 71 Cb 0.38 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 3m3p h LEU 71 CO 0.01 1.17 0.50 -0.07 -0.34 0.00 0.00 178.44 179.71 3m3p h LEU 72 N 0.49 0.86 -0.80 2.25 3.38 -1.79 -0.14 115.31 119.56 3m3p h LEU 72 Ca 0.03 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3m3p h LEU 72 Cb 0.99 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 3m3p h LEU 72 CO 0.09 0.62 0.39 0.00 0.09 0.00 0.00 178.44 179.63 3m3p h ALA 73 N 1.29 1.03 -0.81 1.53 0.00 -1.14 -1.84 119.26 119.31 3m3p h ALA 73 Ca 0.29 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3m3p h ALA 73 Cb -0.09 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.35 3m3p h ALA 73 CO -0.07 0.59 0.40 1.25 0.00 0.00 0.00 179.25 181.41 3m3p h LEU 74 N 1.13 1.06 -0.25 0.00 5.85 -0.64 0.47 115.31 122.92 3m3p h LEU 74 Ca 0.27 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3m3p h LEU 74 Cb 0.11 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 3m3p h LEU 74 CO -0.04 0.89 0.13 0.40 -0.34 0.00 0.00 178.44 179.48 3m3p h ILE 75 N 1.15 1.13 -0.76 4.05 2.04 -0.85 -0.13 117.51 124.13 3m3p h ILE 75 Ca 0.28 -0.36 0.09 0.00 1.00 0.00 0.00 64.86 65.87 3m3p h ILE 75 Cb 0.11 0.91 -0.07 0.00 -0.74 0.00 0.00 36.82 37.02 3m3p h ILE 75 CO -0.04 0.13 0.41 0.03 0.00 0.00 0.00 178.15 178.68 3m3p h ARG 76 N 0.28 0.68 -0.77 2.37 3.08 -1.02 -1.67 114.38 117.34 3m3p h ARG 76 Ca 0.09 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 3m3p h ARG 76 Cb 0.09 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 3m3p h ARG 76 CO -0.01 0.45 0.26 -0.44 -1.07 0.00 0.00 179.97 179.16 3m3p h ASP 77 N 0.70 1.09 -0.09 7.04 3.32 -0.40 -0.53 116.42 127.56 3m3p h ASP 77 Ca 0.37 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 57.24 3m3p h ASP 77 Cb 0.36 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3m3p h ASP 77 CO -0.25 0.99 -0.00 0.00 -1.72 0.00 0.00 179.24 178.26 3m3p h ALA 78 N 1.15 0.07 -0.56 3.45 0.00 -0.36 0.69 119.26 123.70 3m3p h ALA 78 Ca 0.25 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3m3p h ALA 78 Cb 0.27 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3m3p h ALA 78 CO -0.01 -0.47 0.32 0.28 0.00 0.00 0.00 179.25 179.37 3m3p h VAL 79 N 0.03 1.18 -0.64 0.00 2.07 -1.07 0.20 116.25 118.02 3m3p h VAL 79 Ca 0.04 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 3m3p h VAL 79 Cb 0.05 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 3m3p h VAL 79 CO -0.07 0.19 0.34 0.00 0.02 0.00 0.00 177.57 178.05 3m3p h ALA 80 N 1.15 1.40 -0.09 1.67 0.00 -0.82 -2.82 119.26 119.76 3m3p h ALA 80 Ca 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3m3p h ALA 80 Cb 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3m3p h ALA 80 CO -0.03 0.49 0.00 1.04 0.00 0.00 0.00 179.25 180.74 3m3p n GLN 81 N -4.37 1.87 -2.93 0.00 1.13 0.21 -4.95 117.38 108.35 3m3p n GLN 81 Ca 0.06 -1.28 -0.22 0.00 -1.94 0.00 0.00 57.00 53.62 3m3p n GLN 81 Cb 0.10 -1.46 0.03 0.00 0.11 0.00 0.00 30.24 29.03 3m3p n GLN 81 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3m3p n ARG 82 N 0.53 -4.43 -3.13 -1.09 1.74 -0.18 -4.98 116.66 105.12 3m3p n ARG 82 Ca 0.17 0.91 -0.42 0.00 -0.77 0.00 0.00 57.85 57.75 3m3p n ARG 82 Cb 0.41 -5.71 -0.07 0.00 -1.02 0.00 0.00 32.46 26.08 3m3p n ARG 82 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3m3p s VAL 83 N -3.15 4.91 0.55 1.55 1.01 -0.12 -4.73 120.40 120.41 3m3p s VAL 83 Ca 0.26 0.55 -0.21 0.00 0.00 0.00 0.00 61.98 62.58 3m3p s VAL 83 Cb -0.11 -4.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.16 3m3p s VAL 83 CO 0.32 -0.30 1.30 -2.16 0.00 0.00 0.00 175.10 174.27 3m3p s PRO 84 N 2.66 3.16 -0.04 2.72 0.04 -1.26 -4.26 135.00 138.02 3m3p s PRO 84 Ca 0.23 2.09 0.06 0.00 0.04 0.00 0.00 61.00 63.43 3m3p s PRO 84 Cb -0.15 -2.20 -0.01 0.00 0.04 0.00 0.00 34.50 32.18 3m3p s PRO 84 CO 0.14 -1.13 -0.24 0.08 0.04 0.00 0.00 177.00 175.90 3m3p s VAL 85 N -1.38 1.95 -0.06 -0.36 1.01 -1.26 -0.71 120.40 119.58 3m3p s VAL 85 Ca 0.72 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 61.70 3m3p s VAL 85 Cb -0.37 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.38 3m3p s VAL 85 CO 0.43 0.55 -0.14 -0.51 0.00 0.00 0.00 175.10 175.43 3m3p s ILE 86 N -0.29 1.22 -0.05 2.22 2.07 -0.26 -1.49 121.20 124.62 3m3p s ILE 86 Ca 0.01 -0.55 0.03 0.00 -1.41 0.00 0.00 60.65 58.74 3m3p s ILE 86 Cb -0.12 -1.09 0.00 0.00 0.13 0.00 0.00 42.46 41.38 3m3p s ILE 86 CO 0.02 0.37 -0.13 -0.83 -1.91 0.00 0.00 174.94 172.45 3m3p s GLY 87 N 0.49 0.78 -0.24 1.50 0.00 -0.53 -4.21 107.32 105.11 3m3p s GLY 87 Ca -0.12 -0.51 -0.04 0.00 0.00 0.00 0.00 44.72 44.06 3m3p s GLY 87 CO 0.04 -0.13 -0.03 0.30 0.00 0.00 0.00 173.10 173.27 3m3p s HIS 88 N 0.29 3.01 0.00 1.90 0.09 -1.26 -0.86 115.29 118.46 3m3p s HIS 88 Ca -0.07 -1.14 0.00 0.00 -0.00 0.00 0.00 55.06 53.84 3m3p s HIS 88 Cb -0.12 -2.11 0.00 0.00 -0.00 0.00 0.00 32.58 30.35 3m3p s HIS 88 CO 0.02 -0.61 0.00 0.00 -0.00 0.00 0.00 174.74 174.15 3m3p h LEU 90 N 0.00 0.31 -0.99 0.00 5.85 -1.88 0.83 115.31 119.43 3m3p h LEU 90 Ca 0.00 0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.92 3m3p h LEU 90 Cb 0.00 0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 3m3p h LEU 90 CO 0.00 -0.02 0.65 1.23 -0.34 0.00 0.00 178.44 179.96 3m3p h GLY 91 N 0.38 1.46 1.03 3.75 0.00 -1.58 0.21 103.07 108.32 3m3p h GLY 91 Ca 0.56 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 3m3p h GLY 91 CO -0.54 0.41 0.38 -1.33 0.00 0.00 0.00 176.54 175.46 3m3p h GLY 92 N 1.24 1.26 1.13 4.60 0.00 -0.90 -1.55 103.07 108.86 3m3p h GLY 92 Ca 0.40 -0.64 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 3m3p h GLY 92 CO -0.13 0.61 0.20 1.46 0.00 0.00 0.00 176.54 178.68 3m3p h GLN 93 N 1.16 1.09 -0.17 4.80 4.20 -0.38 -2.58 115.11 123.23 3m3p h GLN 93 Ca 0.28 -0.23 -0.22 0.00 0.06 0.00 0.00 58.65 58.53 3m3p h GLN 93 Cb 0.14 -0.16 0.01 0.00 0.30 0.00 0.00 27.48 27.77 3m3p h GLN 93 CO -0.03 0.94 -0.76 -0.07 -0.67 0.00 0.00 178.83 178.23 3m3p h LEU 94 N 1.04 0.95 -0.47 1.46 3.38 -0.43 -0.14 115.31 121.10 3m3p h LEU 94 Ca 0.23 -0.62 0.08 0.00 0.09 0.00 0.00 57.88 57.66 3m3p h LEU 94 Cb 0.31 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 3m3p h LEU 94 CO -0.00 1.42 0.09 0.25 0.09 0.00 0.00 178.44 180.29 3m3p h LEU 95 N 0.56 0.01 -0.30 1.67 5.85 -1.33 0.21 115.31 121.97 3m3p h LEU 95 Ca -0.05 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3m3p h LEU 95 Cb 1.39 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.52 3m3p h LEU 95 CO 0.16 0.04 0.11 0.00 -0.34 0.00 0.00 178.44 178.40 3m3p h ALA 96 N 1.36 0.39 -0.50 1.25 0.00 -1.29 -3.10 119.26 117.37 3m3p h ALA 96 Ca 0.23 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3m3p h ALA 96 Cb 0.30 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3m3p h ALA 96 CO -0.30 0.01 0.21 -0.22 0.00 0.00 0.00 179.25 178.95 3m3p h LYS 97 N 0.33 0.74 -1.20 0.00 3.64 -0.81 0.17 116.57 119.43 3m3p h LYS 97 Ca 0.10 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3m3p h LYS 97 Cb 0.21 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3m3p h LYS 97 CO -0.01 0.65 0.00 0.00 -2.27 0.00 0.00 179.45 177.82 3m3p n ALA 98 N -2.33 1.03 -0.08 5.00 0.00 0.04 -3.92 120.51 120.25 3m3p n ALA 98 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3m3p n ALA 98 Cb 0.14 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 18.83 3m3p n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m3p n GLY 100 N 0.72 -0.88 3.79 0.00 0.00 -0.93 -4.81 105.19 103.08 3m3p n GLY 100 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3m3p n GLY 100 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3m3p s GLY 101 N -0.15 1.63 0.17 -0.02 0.00 0.54 -4.85 107.32 104.63 3m3p s GLY 101 Ca 0.00 -0.80 0.08 0.00 0.00 0.00 0.00 44.72 44.00 3m3p s GLY 101 CO 0.00 -0.12 -0.17 -1.83 0.00 0.00 0.00 173.10 170.98 3m3p s GLU 102 N -5.48 1.26 -0.14 2.90 -1.05 -1.26 -4.17 118.70 110.75 3m3p s GLU 102 Ca 0.68 -1.42 0.01 0.00 -0.15 0.00 0.00 54.97 54.10 3m3p s GLU 102 Cb -0.11 -1.26 0.02 0.00 -0.44 0.00 0.00 34.13 32.34 3m3p s GLU 102 CO 0.54 0.25 -0.18 0.08 0.95 0.00 0.00 175.26 176.90 3m3p s VAL 103 N -2.19 1.76 0.21 1.83 1.01 -1.26 -0.70 120.40 121.06 3m3p s VAL 103 Ca 0.16 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.40 3m3p s VAL 103 Cb -0.05 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 3m3p s VAL 103 CO 0.06 0.49 -0.04 0.42 0.00 0.00 0.00 175.10 176.04 3m3p s THR 104 N 1.14 1.11 0.14 3.92 -4.23 -0.44 -4.92 115.64 112.35 3m3p s THR 104 Ca -0.01 -2.05 -0.31 0.00 -1.18 0.00 0.00 61.69 58.14 3m3p s THR 104 Cb -0.14 -2.20 -0.08 0.00 1.34 0.00 0.00 72.50 71.42 3m3p s THR 104 CO -0.06 -0.45 1.37 -1.81 -0.54 0.00 0.00 174.62 173.13 3m3p s ASP 105 N -3.27 6.83 0.33 3.99 1.01 -1.26 -0.87 116.67 123.42 3m3p s ASP 105 Ca 0.25 2.36 -0.28 0.00 0.71 0.00 0.00 52.55 55.59 3m3p s ASP 105 Cb 0.05 -2.59 -0.09 0.00 1.01 0.00 0.00 42.92 41.29 3m3p s ASP 105 CO 0.06 -0.63 1.13 -0.44 0.21 0.00 0.00 175.17 175.51 3m3p s SER 106 N 0.90 6.99 0.29 0.27 0.01 -0.18 -4.85 113.70 117.13 3m3p s SER 106 Ca 0.63 2.31 0.04 0.00 1.31 0.00 0.00 55.95 60.24 3m3p s SER 106 Cb -0.37 -2.62 0.66 0.00 0.21 0.00 0.00 66.02 63.90 3m3p s SER 106 CO 0.33 -0.35 1.80 -0.65 0.41 0.00 0.00 173.24 174.78 3m3p h PRO 107 N 3.35 0.83 -4.27 12.44 0.11 -1.88 -3.41 132.00 139.17 3m3p h PRO 107 Ca -0.48 -0.05 -0.37 0.00 0.11 0.00 0.00 66.00 65.22 3m3p h PRO 107 Cb 1.22 -0.19 -0.31 0.00 0.11 0.00 0.00 31.00 31.83 3m3p h PRO 107 CO 0.65 0.55 -0.76 -1.01 -0.21 0.00 0.00 178.00 177.22 3m3p s HIS 108 N -5.90 0.62 0.92 0.65 3.76 -1.26 -5.10 115.29 108.97 3m3p s HIS 108 Ca -0.12 -0.13 -0.12 0.00 -0.15 0.00 0.00 55.06 54.54 3m3p s HIS 108 Cb 0.24 -0.47 0.14 0.00 1.11 0.00 0.00 32.58 33.60 3m3p s HIS 108 CO 0.80 -0.08 1.09 0.00 -0.85 0.00 0.00 174.74 175.71 3m3p s ALA 109 N 0.26 1.44 -0.15 -1.40 0.00 -1.26 -4.92 121.76 115.74 3m3p s ALA 109 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.77 3m3p s ALA 109 Cb -0.07 -3.16 0.03 0.00 0.00 0.00 0.00 23.12 19.91 3m3p s ALA 109 CO -0.00 -2.44 -0.11 -1.21 0.00 0.00 0.00 175.76 172.00 3m3p s GLU 110 N -4.96 1.94 -0.17 0.00 2.02 -0.74 -4.52 118.70 112.26 3m3p s GLU 110 Ca 0.64 -0.49 -0.03 0.00 0.02 0.00 0.00 54.97 55.11 3m3p s GLU 110 Cb -0.18 -1.97 0.05 0.00 0.10 0.00 0.00 34.13 32.13 3m3p s GLU 110 CO 0.57 -0.29 0.03 0.42 0.02 0.00 0.00 175.26 176.01 3m3p s ILE 111 N 1.56 0.43 -0.01 -1.63 1.01 -1.26 -1.32 121.20 119.98 3m3p s ILE 111 Ca 0.04 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.31 3m3p s ILE 111 Cb -0.13 -0.88 0.00 0.00 0.01 0.00 0.00 42.46 41.45 3m3p s ILE 111 CO -0.09 -0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.34 3m3p n GLY 112 N 5.09 0.39 3.68 6.18 0.00 0.23 -1.02 105.19 119.75 3m3p n GLY 112 Ca -0.08 -2.17 -0.39 0.00 0.00 0.00 0.00 46.02 43.38 3m3p n GLY 112 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3m3p s TRP 113 N -0.01 3.41 -0.01 1.61 0.52 -1.26 -0.86 118.94 122.35 3m3p s TRP 113 Ca 0.00 0.80 0.06 0.00 0.02 0.00 0.00 56.10 56.98 3m3p s TRP 113 Cb 0.00 -2.64 -0.02 0.00 -1.15 0.00 0.00 33.47 29.66 3m3p s TRP 113 CO 0.00 -0.03 -0.20 0.08 0.02 0.00 0.00 176.95 176.82 3m3p s VAL 114 N 1.39 1.56 0.19 4.03 1.01 0.03 -4.95 120.40 123.65 3m3p s VAL 114 Ca 0.25 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 61.04 3m3p s VAL 114 Cb -0.15 -1.30 -0.08 0.00 0.00 0.00 0.00 36.38 34.84 3m3p s VAL 114 CO 0.10 0.40 1.25 -0.13 0.00 0.00 0.00 175.10 176.72 3m3p s ARG 115 N -0.56 4.44 0.05 2.72 0.52 -1.26 -0.80 118.95 124.06 3m3p s ARG 115 Ca 0.07 1.95 -0.04 0.00 -0.52 0.00 0.00 55.73 57.19 3m3p s ARG 115 Cb -0.08 -3.22 -0.02 0.00 0.52 0.00 0.00 34.95 32.15 3m3p s ARG 115 CO -0.00 -0.17 0.07 0.00 0.02 0.00 0.00 175.30 175.21 3m3p s ALA 116 N 0.07 0.07 -0.07 2.13 0.00 -0.34 -4.33 121.76 119.28 3m3p s ALA 116 Ca 0.55 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.79 3m3p s ALA 116 Cb -0.34 0.28 0.02 0.00 0.00 0.00 0.00 23.12 23.08 3m3p s ALA 116 CO 0.37 -0.34 -0.07 -1.58 0.00 0.00 0.00 175.76 174.14 3m3p s TRP 117 N -3.01 1.12 0.56 0.00 0.51 -0.11 -0.90 118.94 117.11 3m3p s TRP 117 Ca -0.02 -0.43 -0.21 0.00 -2.12 0.00 0.00 56.10 53.33 3m3p s TRP 117 Cb 0.01 -0.94 -0.05 0.00 -0.81 0.00 0.00 33.47 31.68 3m3p s TRP 117 CO -0.06 -0.31 1.21 -2.30 -0.51 0.00 0.00 176.95 174.97 3m3p n PRO 118 N 4.36 1.38 -2.28 4.98 -0.02 -1.26 -1.88 135.00 140.28 3m3p n PRO 118 Ca -0.19 0.51 -0.36 0.00 -2.02 0.00 0.00 63.50 61.45 3m3p n PRO 118 Cb 0.51 -2.40 -0.01 0.00 -0.02 0.00 0.00 33.50 31.58 3m3p n PRO 118 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3m3p s GLN 119 N -2.81 3.59 -1.39 -0.52 -1.52 -0.37 -4.88 119.66 111.76 3m3p s GLN 119 Ca 0.73 1.68 -0.12 0.00 -1.95 0.00 0.00 55.36 55.70 3m3p s GLN 119 Cb -0.43 -2.22 0.09 0.00 -0.22 0.00 0.00 33.01 30.23 3m3p s GLN 119 CO 0.48 -0.67 2.10 0.72 -0.25 0.00 0.00 175.29 177.68 3m3p n HIS 120 N -0.85 3.28 -4.14 0.91 8.25 -1.26 -4.65 115.22 116.76 3m3p n HIS 120 Ca 0.09 -2.90 -0.17 0.00 -0.26 0.00 0.00 57.72 54.48 3m3p n HIS 120 Cb 0.49 -2.31 -0.12 0.00 1.12 0.00 0.00 29.99 29.17 3m3p n HIS 120 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3m3p s VAL 121 N 2.06 0.91 0.44 1.59 -7.23 -1.26 -5.06 120.40 111.84 3m3p s VAL 121 Ca 0.44 -1.20 0.18 0.00 -1.81 0.00 0.00 61.98 59.60 3m3p s VAL 121 Cb 0.12 -0.90 0.21 0.00 0.56 0.00 0.00 36.38 36.37 3m3p s VAL 121 CO -0.05 -0.26 2.01 1.55 -0.31 0.00 0.00 175.10 178.03 3m3p h PRO 122 N 4.42 0.00 -0.32 4.82 0.13 -2.00 -1.82 132.00 137.23 3m3p h PRO 122 Ca -0.39 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.71 3m3p h PRO 122 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 3m3p h PRO 122 CO 0.41 0.18 0.07 1.96 -0.23 0.00 0.00 178.00 180.38 3m3p h GLN 123 N 0.00 0.47 -0.45 0.86 7.50 -1.97 -1.22 115.11 120.31 3m3p h GLN 123 Ca -0.00 -0.07 -0.11 0.00 0.50 0.00 0.00 58.65 58.97 3m3p h GLN 123 Cb 0.35 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 27.78 3m3p h GLN 123 CO 0.02 0.45 -0.13 0.00 -1.50 0.00 0.00 178.83 177.66 3m3p h ALA 124 N 1.62 0.62 -0.25 3.87 0.00 -1.59 -1.34 119.26 122.18 3m3p h ALA 124 Ca 0.11 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3m3p h ALA 124 Cb 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3m3p h ALA 124 CO -0.00 0.54 0.14 1.25 0.00 0.00 0.00 179.25 181.17 3m3p h LEU 125 N 0.72 0.32 -0.06 0.00 5.85 -1.37 0.16 115.31 120.94 3m3p h LEU 125 Ca 0.11 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 3m3p h LEU 125 Cb 0.69 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 3m3p h LEU 125 CO 0.05 0.32 0.03 -0.08 -0.34 0.00 0.00 178.44 178.42 3m3p h GLU 126 N 0.30 0.08 0.11 1.25 4.81 -1.11 -0.27 114.58 119.74 3m3p h GLU 126 Ca 0.09 -0.01 -0.32 0.00 -0.13 0.00 0.00 59.36 58.99 3m3p h GLU 126 Cb 0.07 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3m3p h GLU 126 CO -0.01 0.08 -1.68 -1.49 -0.73 0.00 0.00 179.01 175.18 3m3p h TRP 127 N 0.05 0.42 0.00 0.92 4.06 -1.24 -3.38 115.95 116.77 3m3p h TRP 127 Ca 0.02 -0.30 -0.00 0.00 2.06 0.00 0.00 58.89 60.66 3m3p h TRP 127 Cb 0.03 -0.02 -0.00 0.00 -1.00 0.00 0.00 29.16 28.17 3m3p h TRP 127 CO -0.06 1.44 -1.82 1.28 -3.56 0.00 0.00 178.44 175.72 3m3p n LEU 128 N -3.41 0.16 0.00 -4.49 4.77 0.04 -3.79 117.00 110.28 3m3p n LEU 128 Ca -0.21 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 3m3p n LEU 128 Cb 1.05 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 42.13 3m3p n LEU 128 CO 0.48 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 3m3p n GLY 129 N 1.25 0.39 3.60 -0.72 0.00 -0.11 -4.88 105.19 104.72 3m3p n GLY 129 Ca -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 3m3p n GLY 129 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3m3p s THR 130 N -2.14 0.00 -2.06 2.61 -1.32 -1.24 -4.97 115.64 106.52 3m3p s THR 130 Ca 0.00 -0.22 0.18 0.00 -1.21 0.00 0.00 61.69 60.45 3m3p s THR 130 Cb 0.00 -1.41 0.28 0.00 -1.51 0.00 0.00 72.50 69.86 3m3p s THR 130 CO 0.00 0.00 1.21 0.79 -2.21 0.00 0.00 174.62 174.41 3m3p n TRP 131 N -0.32 0.27 -1.19 9.09 8.01 -1.26 -4.28 117.44 127.77 3m3p n TRP 131 Ca -0.06 -0.18 -0.31 0.00 -1.31 0.00 0.00 57.50 55.64 3m3p n TRP 131 Cb 0.61 -0.00 0.10 0.00 -2.01 0.00 0.00 31.31 30.01 3m3p n TRP 131 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 3m3p s ASP 132 N -1.36 4.17 0.29 -0.99 1.01 -1.26 -4.37 116.67 114.16 3m3p s ASP 132 Ca 0.28 1.97 -0.29 0.00 0.71 0.00 0.00 52.55 55.22 3m3p s ASP 132 Cb 0.17 -2.54 -0.13 0.00 1.01 0.00 0.00 42.92 41.43 3m3p s ASP 132 CO 0.24 -2.27 1.22 1.21 0.21 0.00 0.00 175.17 175.79 3m3p n GLU 133 N -3.51 1.81 -4.38 8.23 2.13 -1.26 -4.40 120.64 119.26 3m3p n GLU 133 Ca 0.10 0.64 -0.26 0.00 0.66 0.00 0.00 57.16 58.30 3m3p n GLU 133 Cb 0.52 -2.17 -0.10 0.00 0.27 0.00 0.00 31.44 29.97 3m3p n GLU 133 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3m3p s LEU 134 N -0.24 2.70 -0.18 4.31 1.43 -0.07 -4.99 118.68 121.65 3m3p s LEU 134 Ca 0.60 -0.80 -0.06 0.00 -1.03 0.00 0.00 54.13 52.84 3m3p s LEU 134 Cb -0.64 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 3m3p s LEU 134 CO 0.58 0.09 0.03 -0.70 0.23 0.00 0.00 176.35 176.57 3m3p s GLU 135 N -3.00 3.84 0.04 1.70 2.12 -1.26 -1.20 118.70 120.94 3m3p s GLU 135 Ca 0.25 -0.42 0.04 0.00 0.36 0.00 0.00 54.97 55.21 3m3p s GLU 135 Cb -0.07 -3.11 -0.04 0.00 0.26 0.00 0.00 34.13 31.17 3m3p s GLU 135 CO 0.14 0.23 -0.06 -0.51 -0.54 0.00 0.00 175.26 174.52 3m3p s LEU 136 N 0.45 3.22 -0.22 2.70 1.43 0.02 -4.90 118.68 121.38 3m3p s LEU 136 Ca 0.01 -0.19 -0.15 0.00 -1.03 0.00 0.00 54.13 52.77 3m3p s LEU 136 Cb -0.13 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 3m3p s LEU 136 CO 0.01 0.24 0.37 0.12 0.23 0.00 0.00 176.35 177.33 3m3p s PHE 137 N -1.10 3.35 0.08 0.29 5.36 -1.26 -0.79 117.98 123.91 3m3p s PHE 137 Ca 0.20 0.55 0.08 0.00 -0.96 0.00 0.00 56.93 56.79 3m3p s PHE 137 Cb -0.11 -2.51 -0.03 0.00 -0.34 0.00 0.00 43.02 40.03 3m3p s PHE 137 CO 0.11 -0.04 -0.21 -1.21 -1.46 0.00 0.00 175.22 172.41 3m3p s GLU 138 N 1.41 1.28 -0.51 10.12 0.41 -0.04 -1.10 118.70 130.27 3m3p s GLU 138 Ca 0.17 -1.08 0.06 0.00 -0.41 0.00 0.00 54.97 53.72 3m3p s GLU 138 Cb -0.15 -1.49 0.19 0.00 -1.78 0.00 0.00 34.13 30.90 3m3p s GLU 138 CO 0.08 0.36 0.75 1.87 -0.49 0.00 0.00 175.26 177.84 3m3p n TRP 139 N 1.42 -3.69 -3.71 1.61 -0.00 -1.09 -0.60 117.44 111.37 3m3p n TRP 139 Ca -0.18 -1.34 -0.14 0.00 -0.00 0.00 0.00 57.50 55.84 3m3p n TRP 139 Cb 0.53 1.48 -0.08 0.00 -0.00 0.00 0.00 31.31 33.24 3m3p n TRP 139 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 177.69 174.31 3m3p s HIS 140 N 0.87 -0.24 -0.21 5.87 -3.43 -0.44 -5.01 115.29 112.70 3m3p s HIS 140 Ca 0.30 0.32 0.06 0.00 -0.80 0.00 0.00 55.06 54.94 3m3p s HIS 140 Cb 0.01 0.15 -0.08 0.00 -1.43 0.00 0.00 32.58 31.24 3m3p s HIS 140 CO -0.06 -0.46 0.23 0.66 -2.00 0.00 0.00 174.74 173.10 3m3p n TYR 141 N 1.00 0.00 -4.62 0.38 4.01 -1.26 -1.80 117.16 114.87 3m3p n TYR 141 Ca -0.20 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.26 3m3p n TYR 141 Cb 0.57 -0.04 -0.09 0.00 -0.31 0.00 0.00 39.34 39.47 3m3p n TYR 141 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3m3p s GLN 142 N -1.83 1.97 -0.04 -0.72 -0.21 -1.26 -1.01 119.66 116.57 3m3p s GLN 142 Ca 0.01 -2.18 -0.06 0.00 0.02 0.00 0.00 55.36 53.15 3m3p s GLN 142 Cb 0.04 -1.30 0.01 0.00 1.00 0.00 0.00 33.01 32.76 3m3p s GLN 142 CO 0.26 -0.24 0.15 -0.08 -2.12 0.00 0.00 175.29 173.26 3m3p s THR 143 N -2.95 0.03 0.21 -0.19 -1.32 -0.05 -4.75 115.64 106.62 3m3p s THR 143 Ca 0.24 -0.28 -0.16 0.00 -1.21 0.00 0.00 61.69 60.28 3m3p s THR 143 Cb 0.06 -0.31 -0.08 0.00 -1.51 0.00 0.00 72.50 70.66 3m3p s THR 143 CO 0.12 -0.15 0.64 0.72 -2.21 0.00 0.00 174.62 173.74 3m3p s PHE 144 N -0.50 3.57 0.67 9.09 -0.12 -1.26 -1.33 117.98 128.09 3m3p s PHE 144 Ca -0.06 1.19 -0.13 0.00 -0.05 0.00 0.00 56.93 57.88 3m3p s PHE 144 Cb -0.04 -2.48 -0.00 0.00 -0.63 0.00 0.00 43.02 39.87 3m3p s PHE 144 CO 0.01 0.32 1.07 -1.54 -0.05 0.00 0.00 175.22 175.03 3m3p s SER 145 N -1.85 5.36 -0.06 1.98 1.04 0.12 -4.77 113.70 115.52 3m3p s SER 145 Ca 0.43 1.76 -0.30 0.00 0.48 0.00 0.00 55.95 58.33 3m3p s SER 145 Cb -0.14 -2.52 -0.05 0.00 0.10 0.00 0.00 66.02 63.41 3m3p s SER 145 CO 0.20 -1.45 1.48 -0.63 0.98 0.00 0.00 173.24 173.82 3m3p s ILE 146 N -2.74 3.78 0.64 -1.02 -1.09 -1.26 -4.63 121.20 114.88 3m3p s ILE 146 Ca 0.61 1.02 -0.16 0.00 -2.23 0.00 0.00 60.65 59.90 3m3p s ILE 146 Cb -0.16 -3.66 -0.01 0.00 -1.58 0.00 0.00 42.46 37.05 3m3p s ILE 146 CO 0.47 -0.06 1.12 -2.16 -1.23 0.00 0.00 174.94 173.08 3m3p s PRO 147 N 3.41 2.89 0.26 2.79 0.04 -1.26 -4.84 135.00 138.29 3m3p s PRO 147 Ca 0.66 1.45 -0.31 0.00 0.04 0.00 0.00 61.00 62.84 3m3p s PRO 147 Cb -0.30 -1.96 -0.13 0.00 0.04 0.00 0.00 34.50 32.15 3m3p s PRO 147 CO 0.25 -1.19 1.43 -0.35 0.04 0.00 0.00 177.00 177.18 3m3p n PRO 148 N -2.20 2.18 -0.23 0.56 -0.04 -1.26 -1.58 135.00 132.42 3m3p n PRO 148 Ca 0.11 0.77 0.00 0.00 -0.04 0.00 0.00 63.50 64.34 3m3p n PRO 148 Cb 0.52 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 3m3p n PRO 148 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3m3p n GLY 149 N 2.03 1.76 3.91 0.55 0.00 -1.26 -5.03 105.19 107.15 3m3p n GLY 149 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 3m3p n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m3p s ALA 150 N -2.96 3.62 -0.27 4.61 0.00 -0.62 -4.54 121.76 121.60 3m3p s ALA 150 Ca 0.00 -0.64 -0.08 0.00 0.00 0.00 0.00 51.96 51.25 3m3p s ALA 150 Cb 0.00 -2.28 -0.01 0.00 0.00 0.00 0.00 23.12 20.83 3m3p s ALA 150 CO 0.00 0.12 0.09 0.08 0.00 0.00 0.00 175.76 176.05 3m3p s VAL 151 N -2.20 4.24 0.06 0.00 1.01 0.21 -4.88 120.40 118.84 3m3p s VAL 151 Ca 0.43 -0.37 -0.31 0.00 0.00 0.00 0.00 61.98 61.73 3m3p s VAL 151 Cb -0.10 -3.07 -0.08 0.00 0.00 0.00 0.00 36.38 33.13 3m3p s VAL 151 CO 0.33 0.22 1.55 -2.28 0.00 0.00 0.00 175.10 174.92 3m3p s HIS 152 N 1.58 2.67 0.00 5.22 2.46 -1.26 -1.21 115.29 124.74 3m3p s HIS 152 Ca 0.05 0.54 0.00 0.00 0.47 0.00 0.00 55.06 56.12 3m3p s HIS 152 Cb -0.16 -3.85 0.00 0.00 -0.13 0.00 0.00 32.58 28.44 3m3p s HIS 152 CO 0.04 -3.31 0.21 0.44 -2.47 0.00 0.00 174.74 169.65 3m3p n ILE 153 N 4.58 0.00 -3.64 0.89 -5.35 -0.53 -4.74 119.36 110.57 3m3p n ILE 153 Ca 0.15 -0.38 -0.12 0.00 -0.27 0.00 0.00 62.75 62.13 3m3p n ILE 153 Cb 0.41 1.14 -0.07 0.00 -1.74 0.00 0.00 39.64 39.38 3m3p n ILE 153 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 3m3p s LEU 154 N -0.66 -0.69 0.04 7.28 2.96 -1.23 -1.24 118.68 125.15 3m3p s LEU 154 Ca 0.00 1.40 0.00 0.00 -0.22 0.00 0.00 54.13 55.32 3m3p s LEU 154 Cb 0.00 2.35 -0.03 0.00 0.50 0.00 0.00 46.19 49.01 3m3p s LEU 154 CO 0.00 -0.24 -0.04 0.00 -1.32 0.00 0.00 176.35 174.75 3m3p s ARG 155 N 0.65 0.50 0.38 1.98 1.70 -0.79 -1.48 118.95 121.89 3m3p s ARG 155 Ca -0.02 -0.89 0.05 0.00 -0.47 0.00 0.00 55.73 54.39 3m3p s ARG 155 Cb -0.05 0.02 -0.07 0.00 -0.57 0.00 0.00 34.95 34.28 3m3p s ARG 155 CO -0.04 -0.04 0.04 -1.54 -1.08 0.00 0.00 175.30 172.64 3m3p s SER 156 N -2.08 3.14 0.18 -2.89 1.04 -0.43 -0.94 113.70 111.72 3m3p s SER 156 Ca -0.05 -1.40 -0.13 0.00 0.48 0.00 0.00 55.95 54.84 3m3p s SER 156 Cb -0.03 -0.16 0.10 0.00 0.10 0.00 0.00 66.02 66.03 3m3p s SER 156 CO -0.04 -0.57 1.82 -0.08 0.98 0.00 0.00 173.24 175.35 3m3p h GLU 157 N 1.91 0.61 -0.13 4.02 4.81 -1.99 -3.00 114.58 120.81 3m3p h GLU 157 Ca -0.42 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3m3p h GLU 157 Cb 1.25 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.49 3m3p h GLU 157 CO 0.74 0.41 0.00 0.72 -0.73 0.00 0.00 179.01 180.15 3m3p n HIS 158 N -4.78 0.15 -3.30 0.92 8.25 -1.26 -4.66 115.22 110.53 3m3p n HIS 158 Ca 0.04 -0.07 -0.10 0.00 -0.26 0.00 0.00 57.72 57.33 3m3p n HIS 158 Cb 0.07 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.13 3m3p n HIS 158 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3m3p h ALA 160 N 7.77 1.56 -1.33 0.00 0.00 -1.83 -1.15 119.26 124.29 3m3p h ALA 160 Ca -0.04 -0.06 -0.78 0.00 0.00 0.00 0.00 54.91 54.03 3m3p h ALA 160 Cb 1.11 -0.22 -0.21 0.00 0.00 0.00 0.00 17.79 18.48 3m3p h ALA 160 CO 0.23 0.39 1.50 0.09 0.00 0.00 0.00 179.25 181.46 3m3p n ASN 161 N -4.43 5.66 0.10 0.00 3.02 -1.26 -3.78 115.26 114.57 3m3p n ASN 161 Ca 0.05 -3.24 -0.15 0.00 -0.03 0.00 0.00 54.58 51.21 3m3p n ASN 161 Cb 0.07 -1.39 -0.12 0.00 -0.61 0.00 0.00 39.78 37.73 3m3p n ASN 161 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3m3p h GLN 162 N 5.61 0.28 -2.34 3.52 1.08 -1.39 -3.41 115.11 118.46 3m3p h GLN 162 Ca 0.31 -0.43 -0.05 0.00 -1.45 0.00 0.00 58.65 57.03 3m3p h GLN 162 Cb 0.62 0.15 -0.17 0.00 -0.05 0.00 0.00 27.48 28.03 3m3p h GLN 162 CO 1.50 1.18 0.15 0.00 -0.95 0.00 0.00 178.83 180.72 3m3p s ALA 163 N -2.77 -1.64 0.08 3.87 0.00 -1.19 -0.29 121.76 119.82 3m3p s ALA 163 Ca -0.04 1.02 -0.07 0.00 0.00 0.00 0.00 51.96 52.87 3m3p s ALA 163 Cb 0.08 0.23 -0.01 0.00 0.00 0.00 0.00 23.12 23.42 3m3p s ALA 163 CO 0.88 -0.46 0.15 1.52 0.00 0.00 0.00 175.76 177.85 3m3p s TYR 164 N -1.87 0.23 -0.01 0.00 -0.85 -0.74 -1.45 117.35 112.66 3m3p s TYR 164 Ca -0.08 -0.68 0.07 0.00 -0.52 0.00 0.00 57.07 55.86 3m3p s TYR 164 Cb -0.00 -0.12 -0.02 0.00 0.38 0.00 0.00 41.96 42.20 3m3p s TYR 164 CO 0.04 -0.52 -0.21 0.08 -1.52 0.00 0.00 175.55 173.42 3m3p s VAL 165 N -3.87 1.66 -0.11 -3.49 1.01 -0.35 -1.77 120.40 113.48 3m3p s VAL 165 Ca 0.06 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.14 3m3p s VAL 165 Cb 0.05 -1.38 0.01 0.00 0.00 0.00 0.00 36.38 35.06 3m3p s VAL 165 CO -0.11 0.44 -0.17 -0.22 0.00 0.00 0.00 175.10 175.05 3m3p s LEU 166 N -0.56 1.83 -1.78 3.92 2.96 0.02 -0.62 118.68 124.45 3m3p s LEU 166 Ca 0.08 -0.46 0.00 0.00 -0.22 0.00 0.00 54.13 53.53 3m3p s LEU 166 Cb -0.08 -1.16 0.00 0.00 0.50 0.00 0.00 46.19 45.45 3m3p s LEU 166 CO -0.01 0.05 0.00 0.47 -1.32 0.00 0.00 176.35 175.54 3m3p n ASP 167 N 4.04 -5.70 -3.01 3.68 8.00 -1.26 -1.37 116.55 120.93 3m3p n ASP 167 Ca -0.20 0.06 -0.15 0.00 0.71 0.00 0.00 54.79 55.21 3m3p n ASP 167 Cb 0.52 -4.75 -0.01 0.00 -0.02 0.00 0.00 41.12 36.85 3m3p n ASP 167 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3m3p n ASP 168 N -1.76 -2.57 0.00 -2.24 8.00 -1.26 -4.72 116.55 112.00 3m3p n ASP 168 Ca -0.23 -0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.21 3m3p n ASP 168 Cb 0.68 -2.22 0.00 0.00 -0.02 0.00 0.00 41.12 39.56 3m3p n ASP 168 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3m3p n LEU 169 N -3.14 0.89 -4.64 0.64 7.94 -0.47 -5.00 117.00 113.22 3m3p n LEU 169 Ca -0.02 0.00 -0.34 0.00 -1.11 0.00 0.00 56.01 54.54 3m3p n LEU 169 Cb 0.53 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.38 3m3p n LEU 169 CO 0.32 0.11 -0.34 -1.00 -1.11 0.00 0.00 177.39 175.36 3m3p s HIS 170 N -1.41 3.03 -0.02 1.96 3.76 -0.61 -4.24 115.29 117.77 3m3p s HIS 170 Ca 0.00 0.08 0.01 0.00 -0.15 0.00 0.00 55.06 55.00 3m3p s HIS 170 Cb 0.00 -1.71 0.01 0.00 1.11 0.00 0.00 32.58 31.99 3m3p s HIS 170 CO 0.00 0.41 -0.02 -1.50 -0.85 0.00 0.00 174.74 172.78 3m3p s ILE 171 N -0.92 0.22 -0.03 0.60 2.07 -0.56 -0.80 121.20 121.79 3m3p s ILE 171 Ca 0.15 -0.02 0.07 0.00 -1.41 0.00 0.00 60.65 59.43 3m3p s ILE 171 Cb -0.11 -0.26 -0.02 0.00 0.13 0.00 0.00 42.46 42.21 3m3p s ILE 171 CO 0.05 0.11 -0.23 -0.83 -1.91 0.00 0.00 174.94 172.13 3m3p s GLY 172 N 0.51 1.15 0.03 1.50 0.00 -0.73 -1.46 107.32 108.33 3m3p s GLY 172 Ca -0.05 -0.99 0.07 0.00 0.00 0.00 0.00 44.72 43.75 3m3p s GLY 172 CO -0.01 -0.77 -0.21 -1.36 0.00 0.00 0.00 173.10 170.75 3m3p s PHE 173 N -0.44 1.81 0.04 1.90 0.08 -0.04 -1.79 117.98 119.54 3m3p s PHE 173 Ca 0.06 -0.37 -0.04 0.00 0.12 0.00 0.00 56.93 56.70 3m3p s PHE 173 Cb -0.10 -1.09 -0.28 0.00 -0.57 0.00 0.00 43.02 40.97 3m3p s PHE 173 CO 0.00 0.07 0.99 0.37 -0.10 0.00 0.00 175.22 176.56 3m3p h GLN 174 N 4.98 0.27 -7.71 0.44 5.75 -0.89 0.11 115.11 118.06 3m3p h GLN 174 Ca -0.42 -0.46 -0.46 0.00 -0.15 0.00 0.00 58.65 57.16 3m3p h GLN 174 Cb 1.16 0.17 0.13 0.00 1.07 0.00 0.00 27.48 30.01 3m3p h GLN 174 CO 0.44 1.17 0.41 0.00 -2.65 0.00 0.00 178.83 178.21 3m3p s HIS 176 N -3.72 3.41 -1.93 0.00 3.76 -0.26 -3.48 115.29 113.07 3m3p s HIS 176 Ca 0.68 -1.81 0.29 0.00 -0.15 0.00 0.00 55.06 54.07 3m3p s HIS 176 Cb -0.08 -3.54 1.27 0.00 1.11 0.00 0.00 32.58 31.34 3m3p s HIS 176 CO 0.51 -1.00 1.88 0.44 -0.85 0.00 0.00 174.74 175.72 3m3p n ILE 177 N 4.92 0.00 -2.94 0.60 -5.35 -1.26 -4.44 119.36 110.89 3m3p n ILE 177 Ca -0.08 -0.10 -0.43 0.00 -0.27 0.00 0.00 62.75 61.86 3m3p n ILE 177 Cb 0.41 0.01 -0.04 0.00 -1.74 0.00 0.00 39.64 38.28 3m3p n ILE 177 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 3m3p s GLU 178 N -2.27 3.14 -0.09 6.28 1.03 -1.26 -4.77 118.70 120.76 3m3p s GLU 178 Ca 0.34 -0.84 -0.31 0.00 0.03 0.00 0.00 54.97 54.20 3m3p s GLU 178 Cb 0.21 -4.19 0.12 0.00 -0.80 0.00 0.00 34.13 29.46 3m3p s GLU 178 CO 0.43 -1.63 1.00 -0.65 -1.33 0.00 0.00 175.26 173.08 3m3p s GLN 180 N 3.60 0.62 0.24 -4.83 -0.21 -1.26 -0.37 119.66 117.45 3m3p s GLN 180 Ca 0.21 -0.16 -0.07 0.00 0.02 0.00 0.00 55.36 55.35 3m3p s GLN 180 Cb -0.18 0.29 0.24 0.00 1.00 0.00 0.00 33.01 34.36 3m3p s GLN 180 CO 0.11 -0.26 1.90 0.00 -2.12 0.00 0.00 175.29 174.93 3m3p h ALA 181 N 2.11 1.16 0.00 6.09 0.00 -1.95 -2.73 119.26 123.94 3m3p h ALA 181 Ca -0.18 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3m3p h ALA 181 Cb 1.21 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3m3p h ALA 181 CO 0.29 0.52 0.00 -2.39 0.00 0.00 0.00 179.25 177.67 3m3p n HIS 182 N -4.47 0.00 0.00 0.00 1.44 -1.26 -1.79 115.22 109.15 3m3p n HIS 182 Ca 0.11 -0.26 0.00 0.00 -2.01 0.00 0.00 57.72 55.56 3m3p n HIS 182 Cb 0.03 -0.23 0.00 0.00 0.12 0.00 0.00 29.99 29.92 3m3p n HIS 182 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 3m3p n VAL 184 N 1.18 0.00 -0.11 0.61 0.31 -1.03 -0.94 118.33 118.34 3m3p n VAL 184 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 3m3p n VAL 184 Cb 0.19 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.12 3m3p n VAL 184 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3m3p h ARG 185 N 0.00 0.42 -0.56 5.55 3.08 -1.65 -1.75 114.38 119.47 3m3p h ARG 185 Ca 0.00 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 59.92 3m3p h ARG 185 Cb 0.00 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 3m3p h ARG 185 CO 0.00 0.28 -0.07 1.49 -1.07 0.00 0.00 179.97 180.60 3m3p h GLU 186 N 0.43 1.03 -0.46 0.04 4.57 -1.31 -1.92 114.58 116.95 3m3p h GLU 186 Ca 0.15 -0.35 -0.04 0.00 -1.18 0.00 0.00 59.36 57.93 3m3p h GLU 186 Cb 0.01 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 3m3p h GLU 186 CO -0.07 1.04 0.13 -1.49 -1.18 0.00 0.00 179.01 177.44 3m3p h TRP 187 N 0.92 0.76 -0.68 0.92 4.06 -1.78 0.69 115.95 120.84 3m3p h TRP 187 Ca 0.15 -0.08 0.03 0.00 2.06 0.00 0.00 58.89 61.05 3m3p h TRP 187 Cb 0.63 -0.22 -0.04 0.00 -1.00 0.00 0.00 29.16 28.53 3m3p h TRP 187 CO 0.04 0.69 0.45 0.00 -3.56 0.00 0.00 178.44 176.06 3m3p h SER 189 N 0.83 0.13 -0.33 0.00 0.02 -0.60 -2.72 113.55 110.88 3m3p h SER 189 Ca 0.27 -0.10 -0.16 0.00 -0.84 0.00 0.00 61.79 60.96 3m3p h SER 189 Cb 0.05 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 3m3p h SER 189 CO -0.07 0.86 -0.43 0.40 -1.14 0.00 0.00 176.83 176.45 3m3p h ILE 190 N 0.06 1.28 -2.08 3.27 2.04 -0.49 -3.39 117.51 118.20 3m3p h ILE 190 Ca -0.02 -1.61 -0.55 0.00 1.00 0.00 0.00 64.86 63.69 3m3p h ILE 190 Cb 1.38 1.53 -0.40 0.00 -0.74 0.00 0.00 36.82 38.58 3m3p h ILE 190 CO 0.11 0.53 -0.98 -0.24 0.00 0.00 0.00 178.15 177.57 3m3p n SER 191 N -4.09 1.65 0.25 1.72 2.88 -0.76 -4.92 113.62 110.35 3m3p n SER 191 Ca -0.03 -3.07 0.12 0.00 -1.33 0.00 0.00 58.87 54.55 3m3p n SER 191 Cb 0.56 -0.63 0.62 0.00 -0.75 0.00 0.00 64.21 64.01 3m3p n SER 191 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3m3p h PRO 192 N 3.56 0.00 0.00 -1.46 0.13 -1.69 -3.09 132.00 129.45 3m3p h PRO 192 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3m3p h PRO 192 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3m3p h PRO 192 CO 0.59 0.16 0.00 0.39 -0.23 0.00 0.00 178.00 178.91 3m3p n GLU 193 N -3.48 0.22 0.11 0.86 -0.58 -1.26 -2.22 120.64 114.29 3m3p n GLU 193 Ca -0.01 0.32 0.13 0.00 -0.42 0.00 0.00 57.16 57.18 3m3p n GLU 193 Cb 0.33 -1.83 0.35 0.00 -0.57 0.00 0.00 31.44 29.71 3m3p n GLU 193 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 3m3p h GLU 194 N 0.00 0.00 -7.14 3.49 5.08 -1.88 -0.80 114.58 113.33 3m3p h GLU 194 Ca 0.00 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.88 3m3p h GLU 194 Cb 0.54 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.85 3m3p h GLU 194 CO 0.00 0.00 0.20 -0.51 -1.00 0.00 0.00 179.01 177.70 3m3p s LEU 195 N -4.62 3.26 0.21 1.33 1.43 -0.94 -4.59 118.68 114.76 3m3p s LEU 195 Ca 0.10 0.83 -0.32 0.00 -1.03 0.00 0.00 54.13 53.70 3m3p s LEU 195 Cb 0.12 -3.69 -0.13 0.00 0.03 0.00 0.00 46.19 42.52 3m3p s LEU 195 CO 0.62 -1.00 1.57 1.17 0.23 0.00 0.00 176.35 178.94 3m3p n LYS 196 N -2.58 2.35 0.00 1.70 4.81 -0.26 -0.33 118.16 123.85 3m3p n LYS 196 Ca 0.04 0.84 0.00 0.00 -0.87 0.00 0.00 58.31 58.32 3m3p n LYS 196 Cb 0.57 -2.61 0.00 0.00 0.02 0.00 0.00 35.03 33.01 3m3p n LYS 196 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3m3p n GLY 197 N 3.05 2.52 3.80 3.14 0.00 -1.26 -4.47 105.19 111.97 3m3p n GLY 197 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 3m3p n GLY 197 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3m3p s GLY 198 N -2.18 1.63 0.36 -0.02 0.00 0.56 -4.97 107.32 102.70 3m3p s GLY 198 Ca 0.00 -0.16 0.11 0.00 0.00 0.00 0.00 44.72 44.67 3m3p s GLY 198 CO 0.00 0.26 1.83 0.00 0.00 0.00 0.00 173.10 175.19 3m3p h ALA 199 N -1.10 1.38 0.00 3.20 0.00 -1.82 -3.05 119.26 117.86 3m3p h ALA 199 Ca -0.47 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.12 3m3p h ALA 199 Cb 1.26 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3m3p h ALA 199 CO 0.59 0.45 -1.39 0.39 0.00 0.00 0.00 179.25 179.29 3m3p n GLU 200 N -4.13 0.46 -2.42 0.00 1.02 -0.36 -4.97 120.64 110.23 3m3p n GLU 200 Ca -0.02 -0.05 -0.41 0.00 -0.02 0.00 0.00 57.16 56.66 3m3p n GLU 200 Cb 0.39 -1.60 -0.04 0.00 -0.02 0.00 0.00 31.44 30.17 3m3p n GLU 200 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3m3p s ALA 201 N -3.33 3.42 -0.36 0.62 0.00 -0.86 -4.93 121.76 116.32 3m3p s ALA 201 Ca -0.01 0.93 -0.29 0.00 0.00 0.00 0.00 51.96 52.59 3m3p s ALA 201 Cb 0.14 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.91 3m3p s ALA 201 CO 0.85 -0.27 1.09 0.34 0.00 0.00 0.00 175.76 177.77 3m3p s ASP 202 N -0.39 6.86 0.62 0.00 -1.08 -1.26 -4.85 116.67 116.57 3m3p s ASP 202 Ca 0.48 0.91 0.35 0.00 -0.52 0.00 0.00 52.55 53.77 3m3p s ASP 202 Cb -0.32 -2.55 1.88 0.00 -1.46 0.00 0.00 42.92 40.47 3m3p s ASP 202 CO 0.39 -0.97 2.05 -0.65 0.52 0.00 0.00 175.17 176.52 3m3p h PRO 203 N 8.36 0.00 0.00 4.34 0.11 -1.95 -1.42 132.00 141.45 3m3p h PRO 203 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 3m3p h PRO 203 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3m3p h PRO 203 CO 1.06 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.85 3m3p n ALA 204 N -1.94 2.08 -1.67 -0.75 0.00 -1.26 -4.83 120.51 112.14 3m3p n ALA 204 Ca -0.02 -0.06 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 3m3p n ALA 204 Cb 0.22 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.24 3m3p n ALA 204 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3m3p n GLN 205 N -1.71 2.82 0.00 0.00 1.13 -0.54 -5.08 117.38 114.00 3m3p n GLN 205 Ca 0.05 1.03 0.00 0.00 -1.94 0.00 0.00 57.00 56.15 3m3p n GLN 205 Cb 0.30 -2.97 0.00 0.00 0.11 0.00 0.00 30.24 27.68 3m3p n GLN 205 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 3m3p n PRO 206 N 6.96 0.93 -2.08 -1.09 -0.04 -1.26 -4.98 135.00 133.44 3m3p n PRO 206 Ca 0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 3m3p n PRO 206 Cb 0.39 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 3m3p n PRO 206 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3m3p n VAL 208 N 0.35-12.16 -2.98 0.52 0.31 -1.26 -5.13 118.33 97.98 3m3p n VAL 208 Ca 0.00 2.88 -0.25 0.00 -0.01 0.00 0.00 64.34 66.96 3m3p n VAL 208 Cb 0.38 -5.53 -0.00 0.00 -0.91 0.00 0.00 33.84 27.77 3m3p n VAL 208 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3m3p s GLN 209 N -0.84 3.42 0.71 5.55 -0.21 -0.19 -4.41 119.66 123.70 3m3p s GLN 209 Ca 0.00 -0.12 -0.11 0.00 0.02 0.00 0.00 55.36 55.14 3m3p s GLN 209 Cb 0.00 -2.51 0.02 0.00 1.00 0.00 0.00 33.01 31.51 3m3p s GLN 209 CO 0.00 -0.09 1.09 -1.54 -2.12 0.00 0.00 175.29 172.63 3m3p s SER 210 N -4.10 5.40 0.22 5.90 1.04 -1.26 -1.10 113.70 119.80 3m3p s SER 210 Ca 0.45 1.19 -0.07 0.00 0.48 0.00 0.00 55.95 57.99 3m3p s SER 210 Cb -0.10 -2.00 0.30 0.00 0.10 0.00 0.00 66.02 64.32 3m3p s SER 210 CO 0.40 -1.38 1.81 0.00 0.98 0.00 0.00 173.24 175.05 3m3p h ALA 211 N -0.68 0.99 -0.43 5.32 0.00 -1.94 -0.61 119.26 121.92 3m3p h ALA 211 Ca -0.45 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.51 3m3p h ALA 211 Cb 1.25 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 3m3p h ALA 211 CO 0.63 0.06 0.22 0.28 0.00 0.00 0.00 179.25 180.44 3m3p h VAL 212 N 0.72 0.99 -0.68 0.00 2.07 -1.95 -0.56 116.25 116.83 3m3p h VAL 212 Ca 0.34 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.64 3m3p h VAL 212 Cb 0.25 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 3m3p h VAL 212 CO -0.21 0.08 0.18 -0.33 0.02 0.00 0.00 177.57 177.31 3m3p h GLU 213 N 0.44 1.06 -0.32 1.57 5.08 -1.78 -1.81 114.58 118.82 3m3p h GLU 213 Ca 0.18 -0.24 -0.11 0.00 -1.00 0.00 0.00 59.36 58.19 3m3p h GLU 213 Cb 0.07 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3m3p h GLU 213 CO -0.12 0.93 -0.26 0.82 -1.00 0.00 0.00 179.01 179.38 3m3p h ILE 214 N 1.02 1.27 -0.00 3.13 2.04 -0.53 -2.98 117.51 121.47 3m3p h ILE 214 Ca 0.22 -1.35 0.00 0.00 1.00 0.00 0.00 64.86 64.72 3m3p h ILE 214 Cb 0.33 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 3m3p h ILE 214 CO -0.00 0.44 -0.24 0.18 0.00 0.00 0.00 178.15 178.53 3m3p n LEU 215 N -4.10 0.31 -4.69 1.44 4.77 -0.27 -4.72 117.00 109.74 3m3p n LEU 215 Ca -0.00 0.19 -0.42 0.00 -0.03 0.00 0.00 56.01 55.74 3m3p n LEU 215 Cb 0.44 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 3m3p n LEU 215 CO 0.44 0.07 1.17 -0.60 -1.33 0.00 0.00 177.39 177.14 3m3p s ARG 216 N -2.90 4.26 -1.43 3.23 3.52 -0.70 -2.24 118.95 122.69 3m3p s ARG 216 Ca 0.15 2.08 -0.07 0.00 -0.13 0.00 0.00 55.73 57.77 3m3p s ARG 216 Cb 0.19 -3.53 0.03 0.00 -1.56 0.00 0.00 34.95 30.08 3m3p s ARG 216 CO 0.59 -0.60 0.55 -0.25 -0.81 0.00 0.00 175.30 174.79 3m3p n ASP 217 N 5.23 -5.07 0.10 -2.12 8.00 -1.26 -4.89 116.55 116.53 3m3p n ASP 217 Ca 0.14 -0.32 -0.12 0.00 0.71 0.00 0.00 54.79 55.19 3m3p n ASP 217 Cb 0.43 -4.13 -0.06 0.00 -0.02 0.00 0.00 41.12 37.33 3m3p n ASP 217 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3m3p h LEU 218 N -1.20 -0.32 -0.49 0.64 5.85 -1.73 -1.55 115.31 116.51 3m3p h LEU 218 Ca -0.48 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.23 3m3p h LEU 218 Cb 1.33 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.46 3m3p h LEU 218 CO 0.55 -0.18 0.15 0.44 -0.34 0.00 0.00 178.44 179.06 3m3p h ASP 219 N -0.26 0.72 -0.57 1.25 3.32 -1.90 0.62 116.42 119.60 3m3p h ASP 219 Ca 0.01 -0.21 -0.08 0.00 0.02 0.00 0.00 57.03 56.78 3m3p h ASP 219 Cb 0.26 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 3m3p h ASP 219 CO -0.05 0.74 0.06 0.58 -1.72 0.00 0.00 179.24 178.85 3m3p h VAL 220 N 0.66 1.26 0.00 -1.35 2.07 -1.91 -1.45 116.25 115.53 3m3p h VAL 220 Ca 0.16 -1.03 -0.11 0.00 0.82 0.00 0.00 66.70 66.54 3m3p h VAL 220 Cb 0.28 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3m3p h VAL 220 CO -0.00 0.37 -0.53 0.08 0.02 0.00 0.00 177.57 177.51 3m3p h ARG 221 N 0.86 0.00 -0.60 1.57 0.11 -1.02 -1.88 114.38 113.42 3m3p h ARG 221 Ca 0.17 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.17 3m3p h ARG 221 Cb 0.46 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.52 3m3p h ARG 221 CO 0.02 0.53 0.07 0.82 0.10 0.00 0.00 179.97 181.51 3m3p h ILE 222 N 0.00 1.26 -0.78 0.08 1.08 -0.73 -1.60 117.51 116.82 3m3p h ILE 222 Ca -0.01 -1.04 -0.02 0.00 -0.39 0.00 0.00 64.86 63.41 3m3p h ILE 222 Cb 1.09 0.76 -0.04 0.00 -3.07 0.00 0.00 36.82 35.57 3m3p h ILE 222 CO 0.07 0.38 0.40 0.00 -0.69 0.00 0.00 178.15 178.31 3m3p h ALA 223 N 1.01 1.00 -0.33 1.87 0.00 -0.82 0.11 119.26 122.09 3m3p h ALA 223 Ca 0.18 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3m3p h ALA 223 Cb 0.46 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3m3p h ALA 223 CO 0.02 0.53 0.19 1.15 0.00 0.00 0.00 179.25 181.14 3m3p h THR 224 N 1.09 1.03 -0.46 0.00 2.02 -1.19 -2.10 112.91 113.29 3m3p h THR 224 Ca 0.27 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.31 3m3p h THR 224 Cb 0.07 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 3m3p h THR 224 CO -0.04 0.07 0.25 0.25 0.37 0.00 0.00 175.52 176.43 3m3p h LEU 225 N 0.39 0.58 -0.94 2.58 5.85 -0.98 -2.79 115.31 119.99 3m3p h LEU 225 Ca 0.13 -0.09 0.11 0.00 0.84 0.00 0.00 57.88 58.87 3m3p h LEU 225 Cb 0.01 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 40.81 3m3p h LEU 225 CO -0.07 0.50 0.58 0.78 -0.34 0.00 0.00 178.44 179.89 3m3p h ASN 226 N 0.61 0.84 -0.22 1.25 2.35 -0.45 -0.62 115.58 119.33 3m3p h ASN 226 Ca 0.16 0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 3m3p h ASN 226 Cb 0.05 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 3m3p h ASN 226 CO -0.03 0.46 0.01 0.03 -1.65 0.00 0.00 177.43 176.25 3m3p h ARG 227 N 0.93 0.38 0.00 0.81 2.47 -1.10 -0.30 114.38 117.57 3m3p h ARG 227 Ca 0.46 -0.12 -0.14 0.00 -1.26 0.00 0.00 59.98 58.93 3m3p h ARG 227 Cb 0.44 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.71 3m3p h ARG 227 CO -0.26 0.56 -0.65 0.11 0.56 0.00 0.00 179.97 180.28 3m3p h TRP 228 N 0.16 0.00 -0.83 3.04 5.08 -1.48 -2.82 115.95 119.10 3m3p h TRP 228 Ca 0.06 0.00 0.03 0.00 1.08 0.00 0.00 58.89 60.07 3m3p h TRP 228 Cb 0.38 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 26.49 3m3p h TRP 228 CO 0.03 0.65 0.53 0.00 -1.28 0.00 0.00 178.44 178.37 3m3p h ALA 229 N 1.35 1.09 -0.40 0.11 0.00 -1.00 -1.51 119.26 118.90 3m3p h ALA 229 Ca -0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3m3p h ALA 229 Cb 1.50 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3m3p h ALA 229 CO 0.08 0.36 0.06 0.93 0.00 0.00 0.00 179.25 180.68 3m3p h GLU 230 N 1.03 0.61 -0.31 0.00 5.08 -0.93 0.07 114.58 120.12 3m3p h GLU 230 Ca 0.33 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3m3p h GLU 230 Cb 0.02 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 3m3p h GLU 230 CO -0.12 0.59 0.20 1.25 -1.00 0.00 0.00 179.01 179.93 3m3p h HIS 231 N 0.59 0.41 -0.10 4.33 2.76 -1.06 0.14 115.15 122.22 3m3p h HIS 231 Ca 0.13 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.32 3m3p h HIS 231 Cb 0.29 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.09 3m3p h HIS 231 CO 0.01 0.29 0.00 0.28 -1.30 0.00 0.00 177.93 177.21 3m3p h VAL 232 N 0.41 0.93 -0.68 5.26 2.07 -0.72 -1.86 116.25 121.67 3m3p h VAL 232 Ca 0.11 -0.01 -0.08 0.00 0.82 0.00 0.00 66.70 67.54 3m3p h VAL 232 Cb -0.01 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 3m3p h VAL 232 CO -0.02 0.01 0.12 1.88 0.02 0.00 0.00 177.57 179.57 3m3p h TYR 233 N 0.04 1.19 -0.91 1.57 0.05 -0.86 -0.18 116.97 117.86 3m3p h TYR 233 Ca 0.05 -0.16 -0.00 0.00 0.05 0.00 0.00 58.73 58.66 3m3p h TYR 233 Cb 0.05 -0.33 -0.04 0.00 1.01 0.00 0.00 36.73 37.42 3m3p h TYR 233 CO -0.13 0.99 0.57 0.00 -1.05 0.00 0.00 178.16 178.53 3m3p h ALA 234 N 1.05 1.16 -0.24 3.88 0.00 -0.84 -1.24 119.26 123.02 3m3p h ALA 234 Ca 0.21 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3m3p h ALA 234 Cb 0.44 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3m3p h ALA 234 CO 0.01 0.60 -0.01 -0.09 0.00 0.00 0.00 179.25 179.75 3m3p h ARG 235 N 1.25 0.44 -0.97 0.00 9.65 -0.88 -3.26 114.38 120.61 3m3p h ARG 235 Ca 0.33 -0.15 0.00 0.00 -1.10 0.00 0.00 59.98 59.06 3m3p h ARG 235 Cb -0.08 -0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 28.42 3m3p h ARG 235 CO -0.06 0.63 0.62 2.35 2.80 0.00 0.00 179.97 186.30 3m3p h TRP 236 N 0.20 1.24 0.00 2.20 7.01 -0.57 -2.30 115.95 123.73 3m3p h TRP 236 Ca 0.07 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.08 3m3p h TRP 236 Cb 0.44 -0.42 0.00 0.00 -2.10 0.00 0.00 29.16 27.08 3m3p h TRP 236 CO 0.04 0.80 0.00 0.44 -2.79 0.00 0.00 178.44 176.93 3m3p n ILE 237 N -4.38 0.80 0.24 2.65 -5.35 -0.51 -1.69 119.36 111.12 3m3p n ILE 237 Ca 0.11 0.17 0.14 0.00 -0.27 0.00 0.00 62.75 62.90 3m3p n ILE 237 Cb 0.03 -1.07 0.81 0.00 -1.74 0.00 0.00 39.64 37.67 3m3p n ILE 237 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 3m3p h LYS 238 N 0.00 0.00 -0.01 6.28 1.57 -1.45 -2.25 116.57 120.71 3m3p h LYS 238 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3m3p h LYS 238 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3m3p h LYS 238 CO 0.00 0.00 -0.10 0.41 -0.57 0.00 0.00 179.45 179.19 3m3p n GLY 239 N -1.42 -0.74 3.69 3.86 0.00 -0.68 -4.95 105.19 104.95 3m3p n GLY 239 Ca -0.01 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 3m3p n GLY 239 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3m3p n LEU 240 N -0.72 3.52 -4.74 0.99 4.77 -0.85 -4.38 117.00 115.59 3m3p n LEU 240 Ca 0.16 1.18 -0.41 0.00 -0.03 0.00 0.00 56.01 56.91 3m3p n LEU 240 Cb 0.28 -1.47 -0.03 0.00 -2.33 0.00 0.00 43.42 39.87 3m3p n LEU 240 CO 0.22 -0.60 0.90 -1.10 -1.33 0.00 0.00 177.39 175.49 3m3p s GLN 241 N -1.93 4.47 -0.05 3.23 -1.52 -0.11 -5.04 119.66 118.71 3m3p s GLN 241 Ca 0.57 1.92 0.01 0.00 -1.95 0.00 0.00 55.36 55.91 3m3p s GLN 241 Cb -0.56 -3.22 0.02 0.00 -0.22 0.00 0.00 33.01 29.03 3m3p s GLN 241 CO 0.61 -0.11 -0.07 1.03 -0.25 0.00 0.00 175.29 176.50 3m3p s ARG 242 N -0.33 1.10 0.04 2.91 0.52 -1.26 -4.68 118.95 117.25 3m3p s ARG 242 Ca 0.53 -0.19 -0.30 0.00 -0.52 0.00 0.00 55.73 55.24 3m3p s ARG 242 Cb -0.34 -1.04 -0.08 0.00 0.52 0.00 0.00 34.95 34.02 3m3p s ARG 242 CO 0.38 -0.07 1.65 -1.83 0.02 0.00 0.00 175.30 175.45 3m3p s GLU 243 N 0.92 4.20 0.17 3.54 4.04 -1.26 -4.98 118.70 125.32 3m3p s GLU 243 Ca -0.11 2.29 -0.30 0.00 0.04 0.00 0.00 54.97 56.89 3m3p s GLU 243 Cb -0.15 -3.69 -0.08 0.00 0.02 0.00 0.00 34.13 30.24 3m3p s GLU 243 CO 0.01 -0.75 1.17 0.20 -1.84 0.00 0.00 175.26 174.04 3m3p s GLY 244 N 2.61 2.70 0.30 -3.83 0.00 -1.26 -5.01 107.32 102.83 3m3p s GLY 244 Ca 0.74 0.90 -0.29 0.00 0.00 0.00 0.00 44.72 46.07 3m3p s GLY 244 CO 0.32 1.81 1.15 0.30 0.00 0.00 0.00 173.10 176.68 3m3p s HIS 245 N -0.01 3.44 -1.86 1.90 3.76 -1.26 -4.94 115.29 116.31 3m3p s HIS 245 Ca 0.52 1.63 0.20 0.00 -0.15 0.00 0.00 55.06 57.26 3m3p s HIS 245 Cb -0.31 -3.37 0.01 0.00 1.11 0.00 0.00 32.58 30.02 3m3p s HIS 245 CO 0.35 -0.87 1.00 0.72 -0.85 0.00 0.00 174.74 175.09 3m3p n HIS 246 N 1.04 0.00 -3.69 1.40 8.25 -1.26 -5.02 115.22 115.94 3m3p n HIS 246 Ca -0.01 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.41 3m3p n HIS 246 Cb 0.44 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.54 3m3p n HIS 246 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 3m3p s HIS 247 N -2.14 -0.19 0.76 4.41 -3.43 -1.26 -5.18 115.29 108.26 3m3p s HIS 247 Ca 0.17 -0.07 -0.05 0.00 -0.80 0.00 0.00 55.06 54.31 3m3p s HIS 247 Cb 0.16 0.61 0.13 0.00 -1.43 0.00 0.00 32.58 32.05 3m3p s HIS 247 CO 0.46 -0.75 1.06 -3.38 -2.00 0.00 0.00 174.74 170.13 3m3p s HIS 248 N -3.24 1.82 -0.32 0.38 -3.43 -1.26 -5.06 115.29 104.18 3m3p s HIS 248 Ca 0.10 -0.04 0.18 0.00 -0.80 0.00 0.00 55.06 54.50 3m3p s HIS 248 Cb -0.01 -3.26 0.45 0.00 -1.43 0.00 0.00 32.58 28.33 3m3p s HIS 248 CO -0.01 -1.84 0.94 -2.39 -2.00 0.00 0.00 174.74 169.44 3m3p n HIS 249 N -3.03 1.09 1.22 0.38 1.44 -1.26 -5.23 115.22 109.83 3m3p n HIS 249 Ca 0.14 -2.85 0.13 0.00 -2.01 0.00 0.00 57.72 53.13 3m3p n HIS 249 Cb 0.60 -0.38 0.29 0.00 0.12 0.00 0.00 29.99 30.62 3m3p n HIS 249 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14