#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1avm h VAL 2 N 0.00 1.41 -3.43 0.00 2.07 -1.98 -3.44 116.25 110.88 1avm h VAL 2 Ca 0.00 -1.44 -0.67 0.00 0.82 0.00 0.00 66.70 65.40 1avm h VAL 2 Cb 0.00 2.18 -0.15 0.00 -1.52 0.00 0.00 31.29 31.80 1avm h VAL 2 CO 0.00 0.40 -0.65 -0.31 0.02 0.00 0.00 177.57 177.03 1avm s TYR 3 N -3.97 3.06 0.07 1.57 2.02 -1.26 -5.12 117.35 113.72 1avm s TYR 3 Ca -0.15 0.10 0.05 0.00 -0.37 0.00 0.00 57.07 56.69 1avm s TYR 3 Cb 0.03 -1.71 -0.03 0.00 -0.40 0.00 0.00 41.96 39.85 1avm s TYR 3 CO 0.73 0.43 -0.13 0.95 -1.57 0.00 0.00 175.55 175.97 1avm s THR 4 N -0.96 1.02 -0.33 -0.71 -4.23 -1.26 -4.94 115.64 104.23 1avm s THR 4 Ca 0.16 -1.34 -0.29 0.00 -1.18 0.00 0.00 61.69 59.04 1avm s THR 4 Cb -0.11 -1.07 0.02 0.00 1.34 0.00 0.00 72.50 72.68 1avm s THR 4 CO 0.06 -0.30 1.07 -0.22 -0.54 0.00 0.00 174.62 174.68 1avm s LEU 5 N -1.85 3.92 0.47 4.79 2.96 -1.26 -5.02 118.68 122.69 1avm s LEU 5 Ca -0.02 0.99 -0.21 0.00 -0.22 0.00 0.00 54.13 54.67 1avm s LEU 5 Cb -0.09 -3.52 -0.08 0.00 0.50 0.00 0.00 46.19 43.00 1avm s LEU 5 CO 0.02 -0.90 1.07 -2.16 -1.32 0.00 0.00 176.35 173.06 1avm s PRO 6 N 3.69 3.80 0.47 0.98 0.04 -1.26 -5.03 135.00 137.69 1avm s PRO 6 Ca 0.45 1.49 -0.15 0.00 0.04 0.00 0.00 61.00 62.83 1avm s PRO 6 Cb -0.12 -2.22 -0.08 0.00 0.04 0.00 0.00 34.50 32.13 1avm s PRO 6 CO 0.16 -0.45 0.92 -1.21 0.04 0.00 0.00 177.00 176.46 1avm s GLU 7 N -3.01 3.92 0.29 4.56 0.41 -1.26 -5.02 118.70 118.58 1avm s GLU 7 Ca 0.66 0.82 -0.29 0.00 -0.41 0.00 0.00 54.97 55.74 1avm s GLU 7 Cb -0.20 -2.22 -0.10 0.00 -1.78 0.00 0.00 34.13 29.83 1avm s GLU 7 CO 0.25 -0.18 1.24 -0.51 -0.49 0.00 0.00 175.26 175.57 1avm s LEU 8 N -3.93 4.46 0.00 1.80 1.43 -1.26 -4.89 118.68 116.29 1avm s LEU 8 Ca 0.57 2.51 0.00 0.00 -1.03 0.00 0.00 54.13 56.18 1avm s LEU 8 Cb -0.10 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1avm s LEU 8 CO 0.30 -0.41 0.75 -0.81 0.23 0.00 0.00 176.35 176.40 1avm n PRO 9 N 1.23 0.91 -3.84 1.29 -0.04 -1.26 -4.81 135.00 128.48 1avm n PRO 9 Ca 0.01 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.40 1avm n PRO 9 Cb 0.43 -1.16 -0.01 0.00 -0.04 0.00 0.00 33.50 32.72 1avm n PRO 9 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1avm s TYR 10 N -1.64 -0.11 0.63 0.54 -0.85 -1.26 -5.11 117.35 109.55 1avm s TYR 10 Ca 0.00 -0.38 -0.16 0.00 -0.52 0.00 0.00 57.07 56.01 1avm s TYR 10 Cb 0.00 0.73 -0.02 0.00 0.38 0.00 0.00 41.96 43.05 1avm s TYR 10 CO 0.00 -1.25 1.11 0.34 -1.52 0.00 0.00 175.55 174.24 1avm s ASP 11 N -2.97 5.30 0.43 -0.18 2.15 -1.26 -4.93 116.67 115.21 1avm s ASP 11 Ca 0.13 2.04 0.14 0.00 0.43 0.00 0.00 52.55 55.28 1avm s ASP 11 Cb -0.05 -2.56 1.02 0.00 -0.30 0.00 0.00 42.92 41.03 1avm s ASP 11 CO 0.07 -1.50 1.97 1.88 -0.17 0.00 0.00 175.17 177.42 1avm h TYR 12 N 0.36 0.45 -0.62 -5.34 0.05 -1.97 -1.71 116.97 108.19 1avm h TYR 12 Ca -0.48 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.32 1avm h TYR 12 Cb 1.25 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.84 1avm h TYR 12 CO 0.54 0.21 0.00 -1.13 -1.05 0.00 0.00 178.16 176.73 1avm n SER 13 N -4.47 3.53 0.27 3.88 3.41 -1.26 -4.04 113.62 114.94 1avm n SER 13 Ca 0.11 -1.99 0.13 0.00 -0.26 0.00 0.00 58.87 56.85 1avm n SER 13 Cb 0.39 -0.41 0.75 0.00 -0.26 0.00 0.00 64.21 64.68 1avm n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1avm h ALA 14 N 4.27 1.31 -0.01 7.33 0.00 -1.66 -2.81 119.26 127.69 1avm h ALA 14 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1avm h ALA 14 Cb 0.90 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1avm h ALA 14 CO 0.00 0.13 -0.07 1.28 0.00 0.00 0.00 179.25 180.58 1avm n LEU 15 N -3.66 1.55 -4.77 0.00 4.77 -1.26 -4.41 117.00 109.23 1avm n LEU 15 Ca -0.02 -0.50 -0.33 0.00 -0.03 0.00 0.00 56.01 55.13 1avm n LEU 15 Cb 0.22 -0.03 0.06 0.00 -2.33 0.00 0.00 43.42 41.34 1avm n LEU 15 CO 0.30 0.27 0.73 -1.61 -1.33 0.00 0.00 177.39 175.74 1avm s GLU 16 N -2.13 2.61 0.00 3.23 2.02 -1.06 -2.20 118.70 121.16 1avm s GLU 16 Ca 0.33 1.36 0.32 0.00 0.02 0.00 0.00 54.97 57.00 1avm s GLU 16 Cb 0.20 -1.93 1.83 0.00 0.10 0.00 0.00 34.13 34.34 1avm s GLU 16 CO 0.38 -1.40 2.18 -0.35 0.02 0.00 0.00 175.26 176.10 1avm n PRO 17 N -2.72 1.05 -0.08 0.39 -0.04 -1.26 -4.86 135.00 127.49 1avm n PRO 17 Ca 0.10 -0.08 -0.12 0.00 -0.04 0.00 0.00 63.50 63.36 1avm n PRO 17 Cb 0.52 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.43 1avm n PRO 17 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1avm h TYR 18 N 0.21 0.46 -3.19 0.54 0.05 -1.79 -3.42 116.97 109.82 1avm h TYR 18 Ca 0.00 -0.09 -0.52 0.00 0.05 0.00 0.00 58.73 58.17 1avm h TYR 18 Cb 0.05 -0.11 -0.37 0.00 1.01 0.00 0.00 36.73 37.30 1avm h TYR 18 CO 0.00 0.63 -0.80 0.42 -1.05 0.00 0.00 178.16 177.36 1avm s ILE 19 N -4.84 0.96 0.53 -2.88 1.01 -0.94 -4.80 121.20 110.25 1avm s ILE 19 Ca -0.14 -0.26 -0.21 0.00 0.00 0.00 0.00 60.65 60.04 1avm s ILE 19 Cb 0.07 -1.00 -0.05 0.00 0.01 0.00 0.00 42.46 41.48 1avm s ILE 19 CO 0.75 0.35 1.27 -0.94 0.00 0.00 0.00 174.94 176.36 1avm s SER 20 N 1.73 5.52 0.43 3.58 1.04 -1.26 -2.92 113.70 121.82 1avm s SER 20 Ca 0.05 2.55 0.18 0.00 0.48 0.00 0.00 55.95 59.21 1avm s SER 20 Cb -0.13 -2.62 0.98 0.00 0.10 0.00 0.00 66.02 64.36 1avm s SER 20 CO -0.08 -1.38 1.92 1.23 0.98 0.00 0.00 173.24 175.91 1avm h GLY 21 N 1.52 0.00 1.01 7.32 0.00 -1.89 -2.16 103.07 108.87 1avm h GLY 21 Ca -0.50 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 1avm h GLY 21 CO 0.58 0.00 0.39 -2.09 0.00 0.00 0.00 176.54 175.42 1avm h GLU 22 N 0.00 1.03 -0.14 4.80 4.81 -1.91 -0.86 114.58 122.30 1avm h GLU 22 Ca -0.00 -0.13 -0.06 0.00 -0.13 0.00 0.00 59.36 59.04 1avm h GLU 22 Cb 0.52 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 1avm h GLU 22 CO 0.03 0.77 -0.17 0.82 -0.73 0.00 0.00 179.01 179.74 1avm h ILE 23 N 1.01 1.35 -0.92 2.32 2.04 -1.83 -2.82 117.51 118.67 1avm h ILE 23 Ca 0.26 -1.35 0.09 0.00 1.00 0.00 0.00 64.86 64.85 1avm h ILE 23 Cb 0.06 1.92 -0.07 0.00 -0.74 0.00 0.00 36.82 37.99 1avm h ILE 23 CO -0.04 0.40 0.59 0.24 0.00 0.00 0.00 178.15 179.34 1avm h MET 24 N -0.02 0.93 0.01 2.37 2.86 -1.17 0.18 114.93 120.09 1avm h MET 24 Ca 0.02 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1avm h MET 24 Cb 0.71 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.16 1avm h MET 24 CO 0.04 0.62 -0.01 1.49 1.06 0.00 0.00 176.91 180.11 1avm h GLU 25 N 0.96 -0.01 -0.37 1.72 4.81 -1.14 -1.61 114.58 118.93 1avm h GLU 25 Ca 0.42 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.59 1avm h GLU 25 Cb 0.34 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1avm h GLU 25 CO -0.18 0.39 0.01 -0.07 -0.73 0.00 0.00 179.01 178.43 1avm h LEU 26 N -0.42 0.63 -0.46 1.64 3.38 -1.23 -0.86 115.31 117.99 1avm h LEU 26 Ca -0.00 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.69 1avm h LEU 26 Cb 0.41 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1avm h LEU 26 CO 0.00 0.78 0.27 -0.74 0.09 0.00 0.00 178.44 178.84 1avm h HIS 27 N 0.47 0.51 0.00 1.13 2.76 -0.68 -1.24 115.15 118.09 1avm h HIS 27 Ca 0.11 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.25 1avm h HIS 27 Cb 0.45 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.24 1avm h HIS 27 CO 0.03 0.29 -0.27 1.25 -1.30 0.00 0.00 177.93 177.94 1avm h HIS 28 N 0.54 0.00 -0.16 5.26 -0.00 -1.30 -1.54 115.15 117.95 1avm h HIS 28 Ca 0.19 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.47 1avm h HIS 28 Cb 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.42 1avm h HIS 28 CO -0.07 0.69 -0.29 -0.44 -0.00 0.00 0.00 177.93 177.82 1avm h ASP 29 N -1.00 0.31 0.00 3.26 3.32 -1.25 -3.20 116.42 117.87 1avm h ASP 29 Ca -0.06 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.88 1avm h ASP 29 Cb 0.71 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.17 1avm h ASP 29 CO -0.04 0.60 -0.52 0.29 -1.72 0.00 0.00 179.24 177.85 1avm n LYS 30 N -4.12 0.28 0.24 3.56 4.76 -0.52 -4.43 118.16 117.93 1avm n LYS 30 Ca -0.01 0.11 -0.15 0.00 -2.87 0.00 0.00 58.31 55.39 1avm n LYS 30 Cb 0.40 -0.97 -0.08 0.00 -1.84 0.00 0.00 35.03 32.54 1avm n LYS 30 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1avm h HIS 31 N -0.52 -0.52 -0.79 2.13 3.86 -1.42 -2.41 115.15 115.48 1avm h HIS 31 Ca 0.00 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 1avm h HIS 31 Cb 0.52 0.17 -0.04 0.00 1.06 0.00 0.00 27.41 29.13 1avm h HIS 31 CO -0.22 -0.29 0.39 1.25 0.86 0.00 0.00 177.93 179.92 1avm h HIS 32 N -0.62 1.11 -0.82 2.45 -0.00 -1.33 -2.44 115.15 113.51 1avm h HIS 32 Ca -0.06 -0.04 0.04 0.00 -0.00 0.00 0.00 60.37 60.31 1avm h HIS 32 Cb 0.46 -0.35 -0.05 0.00 -0.00 0.00 0.00 27.41 27.47 1avm h HIS 32 CO -0.03 0.80 0.52 -0.22 -0.00 0.00 0.00 177.93 179.00 1avm h LYS 33 N 1.12 0.96 -0.76 5.26 3.64 -1.53 -1.86 116.57 123.39 1avm h LYS 33 Ca 0.27 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.61 1avm h LYS 33 Cb 0.09 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 31.65 1avm h LYS 33 CO -0.04 0.64 0.50 0.00 -2.27 0.00 0.00 179.45 178.28 1avm h ALA 34 N 1.36 1.49 -0.25 5.00 0.00 -0.94 -1.31 119.26 124.62 1avm h ALA 34 Ca 0.34 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 55.05 1avm h ALA 34 Cb 0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1avm h ALA 34 CO -0.14 0.46 -0.48 1.88 0.00 0.00 0.00 179.25 180.97 1avm h TYR 35 N 0.99 0.82 -0.20 0.00 0.05 -1.21 0.00 116.97 117.43 1avm h TYR 35 Ca 0.29 -0.27 -0.03 0.00 0.05 0.00 0.00 58.73 58.77 1avm h TYR 35 Cb -0.07 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.50 1avm h TYR 35 CO -0.00 1.02 0.01 0.28 -1.05 0.00 0.00 178.16 178.42 1avm h VAL 36 N 0.53 1.24 -0.82 -2.88 2.07 -0.93 0.21 116.25 115.67 1avm h VAL 36 Ca 0.03 -0.83 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 1avm h VAL 36 Cb 1.03 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 32.17 1avm h VAL 36 CO 0.10 0.25 0.37 0.44 0.02 0.00 0.00 177.57 178.75 1avm h ASP 37 N 0.11 1.09 -0.53 0.57 3.32 -1.21 -1.66 116.42 118.10 1avm h ASP 37 Ca 0.06 -0.15 -0.10 0.00 0.02 0.00 0.00 57.03 56.86 1avm h ASP 37 Cb 0.37 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1avm h ASP 37 CO 0.01 0.93 -0.04 1.23 -1.72 0.00 0.00 179.24 179.65 1avm h GLY 38 N 1.17 1.08 1.11 2.75 0.00 -0.82 -1.23 103.07 107.12 1avm h GLY 38 Ca 0.28 -0.80 -0.12 0.00 0.00 0.00 0.00 47.33 46.68 1avm h GLY 38 CO -0.03 0.74 -0.16 0.00 0.00 0.00 0.00 176.54 177.09 1avm h ALA 39 N 1.04 0.72 -0.43 3.60 0.00 -0.64 -1.75 119.26 121.81 1avm h ALA 39 Ca 0.16 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1avm h ALA 39 Cb 0.58 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1avm h ALA 39 CO 0.03 0.68 -0.01 -0.91 0.00 0.00 0.00 179.25 179.04 1avm h ASN 40 N 0.90 0.75 -0.51 0.00 2.35 -1.19 -2.77 115.58 115.12 1avm h ASN 40 Ca 0.13 -0.31 -0.01 0.00 -0.55 0.00 0.00 56.30 55.56 1avm h ASN 40 Cb 0.74 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.88 1avm h ASN 40 CO 0.06 0.88 0.29 0.74 -1.65 0.00 0.00 177.43 177.75 1avm h THR 41 N 0.60 1.17 -0.70 2.81 2.02 -1.13 -1.96 112.91 115.72 1avm h THR 41 Ca 0.12 -0.42 0.06 0.00 0.77 0.00 0.00 66.41 66.94 1avm h THR 41 Cb 0.50 0.52 -0.06 0.00 -1.74 0.00 0.00 68.15 67.38 1avm h THR 41 CO 0.02 0.18 0.40 0.00 0.37 0.00 0.00 175.52 176.49 1avm h ALA 42 N 1.13 0.94 -0.65 6.16 0.00 -1.23 -0.81 119.26 124.79 1avm h ALA 42 Ca 0.18 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 1avm h ALA 42 Cb 0.03 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1avm h ALA 42 CO -0.03 0.08 0.12 -0.07 0.00 0.00 0.00 179.25 179.35 1avm h LEU 43 N 0.73 1.01 -0.54 0.00 3.38 -1.19 -1.60 115.31 117.09 1avm h LEU 43 Ca 0.31 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1avm h LEU 43 Cb 0.18 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1avm h LEU 43 CO -0.18 1.00 0.15 0.44 0.09 0.00 0.00 178.44 179.93 1avm h ASP 44 N 1.00 0.82 0.26 -0.43 3.32 -0.58 -1.38 116.42 119.42 1avm h ASP 44 Ca 0.20 -0.22 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 1avm h ASP 44 Cb 0.41 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1avm h ASP 44 CO 0.01 0.83 -0.43 0.11 -1.72 0.00 0.00 179.24 178.04 1avm h LYS 45 N 0.77 0.22 -0.22 3.56 1.79 -1.02 -1.36 116.57 120.31 1avm h LYS 45 Ca 0.17 -0.11 -0.13 0.00 -2.18 0.00 0.00 60.65 58.40 1avm h LYS 45 Cb 0.32 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 1avm h LYS 45 CO -0.00 0.61 -0.43 -0.07 -1.08 0.00 0.00 179.45 178.48 1avm h LEU 46 N 0.18 0.56 -0.46 2.94 3.38 -1.05 -0.55 115.31 120.30 1avm h LEU 46 Ca 0.01 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.63 1avm h LEU 46 Cb 0.83 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1avm h LEU 46 CO 0.07 0.91 -0.09 0.00 0.09 0.00 0.00 178.44 179.42 1avm h ALA 47 N 1.11 0.63 -0.73 1.53 0.00 -0.88 -1.95 119.26 118.97 1avm h ALA 47 Ca 0.03 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 1avm h ALA 47 Cb 0.92 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1avm h ALA 47 CO 0.08 0.51 0.23 1.49 0.00 0.00 0.00 179.25 181.56 1avm h GLU 48 N 0.72 1.13 -0.36 0.00 4.81 -1.06 -1.92 114.58 117.91 1avm h GLU 48 Ca 0.12 -0.24 0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1avm h GLU 48 Cb 0.63 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 1avm h GLU 48 CO 0.04 0.97 0.22 0.00 -0.73 0.00 0.00 179.01 179.51 1avm h ALA 49 N 1.11 0.46 -0.65 2.92 0.00 -0.81 -1.28 119.26 121.01 1avm h ALA 49 Ca 0.24 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1avm h ALA 49 Cb 0.30 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1avm h ALA 49 CO -0.01 -0.12 0.22 0.00 0.00 0.00 0.00 179.25 179.34 1avm h ARG 50 N 0.44 1.01 -0.18 0.00 3.08 -1.16 0.14 114.38 117.71 1avm h ARG 50 Ca 0.14 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1avm h ARG 50 Cb -0.01 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1avm h ARG 50 CO -0.06 0.87 0.11 -0.44 -1.07 0.00 0.00 179.97 179.38 1avm h ASP 51 N 0.94 0.21 0.27 7.04 3.32 -0.96 -2.76 116.42 124.48 1avm h ASP 51 Ca 0.21 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1avm h ASP 51 Cb 0.27 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1avm h ASP 51 CO -0.01 0.18 -0.12 0.29 -1.72 0.00 0.00 179.24 177.86 1avm n LYS 52 N -4.95 0.84 -3.31 3.56 4.76 -0.52 -4.92 118.16 113.62 1avm n LYS 52 Ca -0.04 -0.35 -0.24 0.00 -2.87 0.00 0.00 58.31 54.81 1avm n LYS 52 Cb 0.04 -1.49 0.05 0.00 -1.84 0.00 0.00 35.03 31.79 1avm n LYS 52 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1avm n ALA 53 N -0.77 -1.12 -4.01 7.82 0.00 0.35 -4.96 120.51 117.81 1avm n ALA 53 Ca 0.15 0.31 -0.31 0.00 0.00 0.00 0.00 53.44 53.59 1avm n ALA 53 Cb 0.29 -4.45 -0.15 0.00 0.00 0.00 0.00 19.45 15.14 1avm n ALA 53 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1avm s ASP 54 N -2.96 4.73 -0.34 0.00 2.15 -0.28 -4.96 116.67 115.01 1avm s ASP 54 Ca 0.44 -2.23 0.08 0.00 0.43 0.00 0.00 52.55 51.27 1avm s ASP 54 Cb -0.20 -1.63 0.61 0.00 -0.30 0.00 0.00 42.92 41.41 1avm s ASP 54 CO 0.54 -0.37 1.68 0.49 -0.17 0.00 0.00 175.17 177.35 1avm n PHE 55 N 4.15 2.02 -0.15 -5.34 3.72 -1.26 -4.54 117.46 116.06 1avm n PHE 55 Ca 0.04 -1.53 0.04 0.00 -0.05 0.00 0.00 57.45 55.95 1avm n PHE 55 Cb 0.41 -0.67 0.34 0.00 -0.94 0.00 0.00 39.48 38.62 1avm n PHE 55 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1avm h GLY 56 N 1.43 0.90 -3.24 1.37 0.00 -1.97 -2.26 103.07 99.30 1avm h GLY 56 Ca 0.35 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1avm h GLY 56 CO 0.69 0.27 0.00 0.00 0.00 0.00 0.00 176.54 177.50 1avm n ALA 57 N -2.45 3.58 -0.31 3.60 0.00 -1.26 -4.65 120.51 119.03 1avm n ALA 57 Ca 0.08 -1.68 0.10 0.00 0.00 0.00 0.00 53.44 51.94 1avm n ALA 57 Cb 0.13 -1.09 0.26 0.00 0.00 0.00 0.00 19.45 18.75 1avm n ALA 57 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1avm h ILE 58 N 3.73 0.65 -0.80 0.00 6.09 -1.75 -0.48 117.51 124.95 1avm h ILE 58 Ca 0.00 -0.20 -0.03 0.00 -1.37 0.00 0.00 64.86 63.26 1avm h ILE 58 Cb 1.73 0.02 -0.04 0.00 0.47 0.00 0.00 36.82 39.01 1avm h ILE 58 CO 0.39 0.11 0.37 0.78 -3.07 0.00 0.00 178.15 176.73 1avm h ASN 59 N 0.58 1.06 -0.11 2.19 2.35 -1.85 -0.29 115.58 119.51 1avm h ASN 59 Ca 0.51 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 56.10 1avm h ASN 59 Cb 0.82 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.91 1avm h ASN 59 CO -0.41 0.91 -0.02 0.50 -1.65 0.00 0.00 177.43 176.76 1avm h LYS 60 N 1.14 0.21 -0.62 0.81 3.64 -1.54 -2.80 116.57 117.40 1avm h LYS 60 Ca 0.27 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 1avm h LYS 60 Cb 0.14 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 1avm h LYS 60 CO -0.03 0.49 0.23 -0.07 -2.27 0.00 0.00 179.45 177.80 1avm h LEU 61 N -0.09 0.85 -0.88 5.20 3.38 -0.92 0.22 115.31 123.06 1avm h LEU 61 Ca 0.03 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 1avm h LEU 61 Cb 0.41 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1avm h LEU 61 CO 0.01 0.78 -0.52 -0.33 0.09 0.00 0.00 178.44 178.47 1avm h GLU 62 N 0.90 0.11 0.08 1.13 4.39 -1.07 -0.70 114.58 119.43 1avm h GLU 62 Ca 0.21 -0.06 -0.28 0.00 0.34 0.00 0.00 59.36 59.56 1avm h GLU 62 Cb 0.21 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 28.89 1avm h GLU 62 CO -0.02 0.60 -1.15 -0.22 -1.16 0.00 0.00 179.01 177.07 1avm h LYS 63 N 0.09 0.63 -0.70 2.33 3.64 -1.17 -2.04 116.57 119.34 1avm h LYS 63 Ca 0.00 -0.79 0.02 0.00 -1.27 0.00 0.00 60.65 58.61 1avm h LYS 63 Cb 0.94 0.25 -0.04 0.00 -0.41 0.00 0.00 32.23 32.97 1avm h LYS 63 CO 0.07 1.35 0.45 -0.44 -2.27 0.00 0.00 179.45 178.61 1avm h ASP 64 N 0.27 0.75 0.05 4.20 3.32 -0.81 0.82 116.42 125.02 1avm h ASP 64 Ca -0.17 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.87 1avm h ASP 64 Cb 1.82 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 41.21 1avm h ASP 64 CO 0.22 0.52 -0.03 0.25 -1.72 0.00 0.00 179.24 178.49 1avm h LEU 65 N 0.89 -0.06 -0.14 1.55 5.85 -1.17 -1.84 115.31 120.38 1avm h LEU 65 Ca 0.28 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1avm h LEU 65 Cb -0.02 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1avm h LEU 65 CO -0.09 0.19 0.09 0.00 -0.34 0.00 0.00 178.44 178.29 1avm h ALA 66 N 0.61 0.18 0.39 1.25 0.00 -1.10 0.04 119.26 120.63 1avm h ALA 66 Ca -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1avm h ALA 66 Cb 0.29 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1avm h ALA 66 CO 0.01 -0.31 -0.19 0.35 0.00 0.00 0.00 179.25 179.11 1avm h PHE 67 N 0.17 -0.49 -0.34 0.00 3.57 -0.88 -0.81 116.94 118.17 1avm h PHE 67 Ca 0.05 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.46 1avm h PHE 67 Cb 0.02 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1avm h PHE 67 CO -0.06 -0.27 -0.09 -0.91 -2.23 0.00 0.00 178.31 174.74 1avm h ASN 68 N -0.57 0.67 -0.57 0.41 2.35 -1.34 -1.23 115.58 115.29 1avm h ASN 68 Ca -0.05 -0.37 -0.10 0.00 -0.55 0.00 0.00 56.30 55.22 1avm h ASN 68 Cb 0.43 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 1avm h ASN 68 CO 0.09 0.89 -0.04 0.25 -1.65 0.00 0.00 177.43 176.97 1avm h LEU 69 N 0.44 1.02 -0.84 1.61 5.85 -1.03 -0.46 115.31 121.91 1avm h LEU 69 Ca 0.08 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.42 1avm h LEU 69 Cb 0.60 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1avm h LEU 69 CO 0.04 1.10 0.19 0.00 -0.34 0.00 0.00 178.44 179.43 1avm h ALA 70 N 0.96 1.06 -0.70 1.25 0.00 -1.13 0.82 119.26 121.52 1avm h ALA 70 Ca 0.16 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1avm h ALA 70 Cb 0.60 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1avm h ALA 70 CO 0.04 0.63 0.20 0.78 0.00 0.00 0.00 179.25 180.90 1avm h GLY 71 N 1.07 1.18 0.81 0.00 0.00 -0.81 0.15 103.07 105.47 1avm h GLY 71 Ca 0.22 -0.70 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 1avm h GLY 71 CO -0.00 0.65 -0.04 0.84 0.00 0.00 0.00 176.54 177.99 1avm h HIS 72 N 1.05 0.42 -0.07 5.60 6.17 -0.52 -2.31 115.15 125.49 1avm h HIS 72 Ca 0.23 -0.09 -0.00 0.00 0.71 0.00 0.00 60.37 61.22 1avm h HIS 72 Cb 0.32 -0.10 -0.00 0.00 2.52 0.00 0.00 27.41 30.14 1avm h HIS 72 CO 0.02 0.62 0.04 0.28 0.71 0.00 0.00 177.93 179.60 1avm h VAL 73 N 0.11 1.07 -0.48 5.26 2.07 -0.67 -1.38 116.25 122.24 1avm h VAL 73 Ca 0.05 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.38 1avm h VAL 73 Cb 0.47 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1avm h VAL 73 CO 0.02 0.06 0.30 0.78 0.02 0.00 0.00 177.57 178.75 1avm h ASN 74 N 0.02 0.50 0.30 0.57 2.35 -0.98 -2.33 115.58 116.02 1avm h ASN 74 Ca 0.02 -0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.60 1avm h ASN 74 Cb 0.07 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1avm h ASN 74 CO -0.00 0.36 -0.66 0.45 -1.65 0.00 0.00 177.43 175.92 1avm h HIS 75 N 0.60 0.43 -0.83 1.19 3.86 -1.38 -0.92 115.15 118.11 1avm h HIS 75 Ca 0.18 -0.18 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1avm h HIS 75 Cb -0.03 -0.07 -0.04 0.00 1.06 0.00 0.00 27.41 28.33 1avm h HIS 75 CO -0.06 0.89 0.48 0.77 0.86 0.00 0.00 177.93 180.87 1avm h SER 76 N 0.23 1.02 -0.20 2.45 0.02 -1.03 -1.60 113.55 114.44 1avm h SER 76 Ca -0.02 -0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 60.73 1avm h SER 76 Cb 1.20 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 63.48 1avm h SER 76 CO 0.11 0.81 -0.33 0.58 -1.14 0.00 0.00 176.83 176.85 1avm h VAL 77 N 1.15 1.33 -0.55 2.27 2.07 -1.36 -3.27 116.25 117.89 1avm h VAL 77 Ca 0.30 -1.55 0.10 0.00 0.82 0.00 0.00 66.70 66.36 1avm h VAL 77 Cb -0.00 1.83 -0.08 0.00 -1.52 0.00 0.00 31.29 31.53 1avm h VAL 77 CO -0.05 0.48 0.12 0.15 0.02 0.00 0.00 177.57 178.29 1avm h PHE 78 N 0.26 0.20 -0.36 1.57 3.57 -0.65 -0.76 116.94 120.77 1avm h PHE 78 Ca 0.02 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1avm h PHE 78 Cb 0.92 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.64 1avm h PHE 78 CO 0.09 -0.01 0.18 -1.49 -2.23 0.00 0.00 178.31 174.85 1avm h TRP 79 N 0.26 0.50 0.00 0.41 -0.00 -1.38 -2.75 115.95 113.00 1avm h TRP 79 Ca 0.28 -0.02 -0.04 0.00 -0.00 0.00 0.00 58.89 59.12 1avm h TRP 79 Cb 0.40 -0.16 -0.01 0.00 -0.00 0.00 0.00 29.16 29.39 1avm h TRP 79 CO -0.23 0.41 -0.18 0.87 -0.00 0.00 0.00 178.44 179.31 1avm h LYS 80 N 0.44 0.00 0.00 0.49 1.57 -1.52 -2.88 116.57 114.67 1avm h LYS 80 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1avm h LYS 80 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1avm h LYS 80 CO -0.02 0.18 0.00 0.09 -0.57 0.00 0.00 179.45 179.13 1avm n ASN 81 N -3.32 0.00 -4.48 0.86 3.02 -0.33 -4.75 115.26 106.27 1avm n ASN 81 Ca 0.00 0.35 -0.25 0.00 -0.03 0.00 0.00 54.58 54.65 1avm n ASN 81 Cb 0.42 -0.43 -0.10 0.00 -0.61 0.00 0.00 39.78 39.05 1avm n ASN 81 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1avm s MET 82 N -2.86 1.73 -0.05 3.52 -1.94 -1.09 -0.13 119.30 118.48 1avm s MET 82 Ca 0.11 -1.58 -0.30 0.00 -1.71 0.00 0.00 55.69 52.21 1avm s MET 82 Cb 0.12 -1.88 0.08 0.00 2.01 0.00 0.00 34.83 35.16 1avm s MET 82 CO 0.31 0.37 0.74 0.00 -0.01 0.00 0.00 175.02 176.43 1avm s ALA 83 N -2.08 -1.79 0.40 3.03 0.00 -0.12 -4.68 121.76 116.51 1avm s ALA 83 Ca 0.26 1.27 -0.26 0.00 0.00 0.00 0.00 51.96 53.23 1avm s ALA 83 Cb -0.07 -0.03 -0.11 0.00 0.00 0.00 0.00 23.12 22.92 1avm s ALA 83 CO 0.14 -0.41 1.27 -0.35 0.00 0.00 0.00 175.76 176.40 1avm n PRO 84 N 0.68 1.99 -1.69 0.00 -0.04 -1.26 -4.57 135.00 130.11 1avm n PRO 84 Ca -0.17 0.71 -0.44 0.00 -0.04 0.00 0.00 63.50 63.56 1avm n PRO 84 Cb 0.58 -2.36 -0.02 0.00 -0.04 0.00 0.00 33.50 31.66 1avm n PRO 84 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1avm n LYS 85 N 0.21 2.24 0.00 0.54 4.81 -1.26 -1.45 118.16 123.25 1avm n LYS 85 Ca 0.06 0.80 0.00 0.00 -0.87 0.00 0.00 58.31 58.30 1avm n LYS 85 Cb 0.38 -2.50 0.00 0.00 0.02 0.00 0.00 35.03 32.94 1avm n LYS 85 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1avm n GLY 86 N 2.22 3.41 0.10 3.14 0.00 -1.26 -4.87 105.19 107.94 1avm n GLY 86 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.26 1avm n GLY 86 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1avm n SER 87 N 0.00 0.51 -3.91 1.61 7.64 -0.53 -4.90 113.62 114.04 1avm n SER 87 Ca 0.00 -0.42 -0.09 0.00 1.01 0.00 0.00 58.87 59.36 1avm n SER 87 Cb 0.00 -0.03 -0.06 0.00 -1.01 0.00 0.00 64.21 63.11 1avm n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1avm s ALA 88 N -2.65 -0.19 0.64 -0.43 0.00 -1.26 -5.00 121.76 112.87 1avm s ALA 88 Ca 0.23 -0.74 -0.18 0.00 0.00 0.00 0.00 51.96 51.27 1avm s ALA 88 Cb 0.19 0.82 -0.01 0.00 0.00 0.00 0.00 23.12 24.12 1avm s ALA 88 CO 0.53 -0.66 1.28 -2.30 0.00 0.00 0.00 175.76 174.62 1avm n PRO 89 N -0.22 1.15 0.04 0.00 -0.02 -1.26 -4.91 135.00 129.77 1avm n PRO 89 Ca -0.09 0.45 0.13 0.00 -2.02 0.00 0.00 63.50 61.97 1avm n PRO 89 Cb 0.63 -2.52 0.36 0.00 -0.02 0.00 0.00 33.50 31.95 1avm n PRO 89 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1avm n GLU 90 N -1.80 0.15 -3.88 -0.52 -0.58 -1.26 -4.40 120.64 108.34 1avm n GLU 90 Ca 0.15 0.08 -0.09 0.00 -0.42 0.00 0.00 57.16 56.88 1avm n GLU 90 Cb 0.48 -1.63 -0.08 0.00 -0.57 0.00 0.00 31.44 29.64 1avm n GLU 90 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1avm s ARG 91 N -3.07 0.72 0.28 3.49 0.52 -1.26 -5.07 118.95 114.55 1avm s ARG 91 Ca 0.10 -0.81 -0.29 0.00 -0.52 0.00 0.00 55.73 54.22 1avm s ARG 91 Cb 0.15 0.29 -0.09 0.00 0.52 0.00 0.00 34.95 35.82 1avm s ARG 91 CO 0.64 -0.21 1.05 -2.14 0.02 0.00 0.00 175.30 174.67 1avm s PRO 92 N -3.10 4.65 0.39 3.54 0.02 -1.26 -4.94 135.00 134.30 1avm s PRO 92 Ca -0.01 1.70 0.04 0.00 0.02 0.00 0.00 61.00 62.75 1avm s PRO 92 Cb 0.02 -3.15 -0.03 0.00 0.02 0.00 0.00 34.50 31.36 1avm s PRO 92 CO -0.07 0.26 0.13 0.95 -0.33 0.00 0.00 177.00 177.94 1avm s THR 93 N -1.22 0.59 0.00 0.99 -4.23 -1.26 -4.34 115.64 106.18 1avm s THR 93 Ca 0.45 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.96 1avm s THR 93 Cb -0.29 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.14 1avm s THR 93 CO 0.37 0.00 0.00 0.47 -0.54 0.00 0.00 174.62 174.92 1avm n ASP 94 N -1.23 0.00 -0.02 3.99 9.92 -1.26 -2.11 116.55 125.84 1avm n ASP 94 Ca -0.04 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.13 1avm n ASP 94 Cb 0.65 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.10 1avm n ASP 94 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1avm h GLU 95 N 0.00 -0.03 -0.47 -1.24 3.07 -1.99 -1.28 114.58 112.64 1avm h GLU 95 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1avm h GLU 95 Cb 0.00 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 1avm h GLU 95 CO 0.00 -0.02 0.31 1.25 -1.40 0.00 0.00 179.01 179.15 1avm h LEU 96 N -0.03 0.54 -0.74 1.33 5.85 -1.90 -0.20 115.31 120.17 1avm h LEU 96 Ca 0.08 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1avm h LEU 96 Cb 0.15 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 1avm h LEU 96 CO -0.18 0.40 0.49 1.23 -0.34 0.00 0.00 178.44 180.03 1avm h GLY 97 N 0.64 1.04 1.09 3.75 0.00 -1.14 -0.89 103.07 107.55 1avm h GLY 97 Ca 0.17 -0.38 -0.12 0.00 0.00 0.00 0.00 47.33 47.00 1avm h GLY 97 CO -0.04 0.37 -0.13 0.00 0.00 0.00 0.00 176.54 176.75 1avm h ALA 98 N 1.27 0.72 -0.53 3.60 0.00 -0.90 -2.23 119.26 121.19 1avm h ALA 98 Ca 0.27 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1avm h ALA 98 Cb -0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1avm h ALA 98 CO -0.06 0.64 0.17 0.00 0.00 0.00 0.00 179.25 180.00 1avm h ALA 99 N 0.91 0.70 -0.81 0.00 0.00 -0.68 -0.43 119.26 118.95 1avm h ALA 99 Ca 0.13 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1avm h ALA 99 Cb 0.69 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1avm h ALA 99 CO 0.05 0.36 0.36 0.82 0.00 0.00 0.00 179.25 180.84 1avm h ILE 100 N 0.73 1.26 -0.50 0.00 2.04 -1.09 -1.43 117.51 118.51 1avm h ILE 100 Ca 0.17 -0.77 -0.06 0.00 1.00 0.00 0.00 64.86 65.20 1avm h ILE 100 Cb 0.28 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 1avm h ILE 100 CO -0.01 0.32 0.06 0.44 0.00 0.00 0.00 178.15 178.97 1avm h ASP 101 N 1.17 0.75 -0.27 1.72 3.32 -1.06 -0.58 116.42 121.48 1avm h ASP 101 Ca 0.28 -0.16 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 1avm h ASP 101 Cb 0.17 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1avm h ASP 101 CO -0.03 0.78 -0.06 -0.08 -1.72 0.00 0.00 179.24 178.13 1avm h GLU 102 N 0.76 0.52 -0.01 3.56 4.81 -0.40 0.28 114.58 124.10 1avm h GLU 102 Ca 0.16 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1avm h GLU 102 Cb 0.37 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1avm h GLU 102 CO 0.01 0.73 -0.52 1.19 -0.73 0.00 0.00 179.01 179.68 1avm n PHE 103 N -4.53 0.00 0.00 0.92 3.72 -0.60 -4.43 117.46 112.54 1avm n PHE 103 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1avm n PHE 103 Cb 0.31 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 1avm n PHE 103 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1avm n PHE 104 N -0.80 0.00 0.00 1.38 3.72 -0.23 -5.02 117.46 116.51 1avm n PHE 104 Ca 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 1avm n PHE 104 Cb 0.38 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.92 1avm n PHE 104 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1avm n GLY 105 N 0.53 2.59 3.74 1.37 0.00 0.09 -4.56 105.19 108.94 1avm n GLY 105 Ca 0.00 -0.61 -0.07 0.00 0.00 0.00 0.00 46.02 45.33 1avm n GLY 105 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1avm s SER 106 N 0.00 -0.30 0.21 1.61 1.04 -1.26 -4.75 113.70 110.25 1avm s SER 106 Ca 0.00 -0.42 -0.08 0.00 0.48 0.00 0.00 55.95 55.94 1avm s SER 106 Cb 0.00 0.63 0.14 0.00 0.10 0.00 0.00 66.02 66.89 1avm s SER 106 CO 0.00 -1.13 1.72 0.15 0.98 0.00 0.00 173.24 174.96 1avm h PHE 107 N 2.00 1.16 -0.52 5.02 3.57 -1.91 -2.48 116.94 123.78 1avm h PHE 107 Ca -0.23 -0.15 -0.04 0.00 3.53 0.00 0.00 57.97 61.09 1avm h PHE 107 Cb 1.25 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 1avm h PHE 107 CO 0.37 0.96 0.16 -0.44 -2.23 0.00 0.00 178.31 177.14 1avm h ASP 108 N 1.04 0.71 -0.49 0.41 5.19 -1.96 -1.02 116.42 120.30 1avm h ASP 108 Ca 0.21 -0.11 -0.12 0.00 -0.62 0.00 0.00 57.03 56.39 1avm h ASP 108 Cb 0.40 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.71 1avm h ASP 108 CO 0.01 0.68 -0.17 0.78 -3.12 0.00 0.00 179.24 177.41 1avm h ASN 109 N 0.76 1.00 -0.46 6.45 2.35 -1.78 -1.50 115.58 122.40 1avm h ASN 109 Ca 0.17 -0.38 -0.03 0.00 -0.55 0.00 0.00 56.30 55.51 1avm h ASN 109 Cb 0.22 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 1avm h ASN 109 CO -0.01 1.15 0.16 -0.03 -1.65 0.00 0.00 177.43 177.05 1avm h MET 110 N 0.84 0.71 -0.53 0.81 4.05 -1.05 -1.68 114.93 118.08 1avm h MET 110 Ca 0.12 -0.15 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 1avm h MET 110 Cb 0.74 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.41 1avm h MET 110 CO 0.06 0.67 0.28 0.87 0.23 0.00 0.00 176.91 179.01 1avm h LYS 111 N 0.60 0.75 -0.52 0.39 1.57 -1.06 0.06 116.57 118.36 1avm h LYS 111 Ca 0.15 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1avm h LYS 111 Cb 0.25 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1avm h LYS 111 CO -0.01 0.60 0.24 0.00 -0.57 0.00 0.00 179.45 179.71 1avm h ALA 112 N 1.11 0.67 -0.33 3.86 0.00 -1.11 0.77 119.26 124.23 1avm h ALA 112 Ca 0.19 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1avm h ALA 112 Cb 0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1avm h ALA 112 CO -0.03 0.24 -0.08 0.37 0.00 0.00 0.00 179.25 179.76 1avm h GLN 113 N 0.69 0.64 -0.70 0.00 4.15 -1.11 -1.08 115.11 117.70 1avm h GLN 113 Ca 0.18 -0.25 -0.05 0.00 0.77 0.00 0.00 58.65 59.31 1avm h GLN 113 Cb 0.14 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.76 1avm h GLN 113 CO -0.02 0.81 0.26 0.35 -1.93 0.00 0.00 178.83 178.30 1avm h PHE 114 N 0.42 1.10 -0.40 3.99 3.04 -0.85 -1.26 116.94 122.97 1avm h PHE 114 Ca 0.08 -0.09 -0.10 0.00 3.98 0.00 0.00 57.97 61.84 1avm h PHE 114 Cb 0.58 -0.32 -0.01 0.00 2.56 0.00 0.00 35.95 38.75 1avm h PHE 114 CO 0.05 0.86 -0.13 1.15 -2.02 0.00 0.00 178.31 178.22 1avm h THR 115 N 1.02 1.28 -0.78 4.41 2.02 -0.77 -1.22 112.91 118.86 1avm h THR 115 Ca 0.23 -1.24 -0.03 0.00 0.77 0.00 0.00 66.41 66.15 1avm h THR 115 Cb 0.25 1.25 -0.04 0.00 -1.74 0.00 0.00 68.15 67.87 1avm h THR 115 CO -0.01 0.41 0.38 0.00 0.37 0.00 0.00 175.52 176.67 1avm h ALA 116 N 0.83 1.01 -0.27 6.16 0.00 -0.98 -0.98 119.26 125.04 1avm h ALA 116 Ca 0.10 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1avm h ALA 116 Cb 0.66 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1avm h ALA 116 CO 0.05 0.57 -0.21 0.00 0.00 0.00 0.00 179.25 179.66 1avm h ALA 117 N 1.20 1.14 -0.15 0.00 0.00 -1.08 -2.11 119.26 118.25 1avm h ALA 117 Ca 0.27 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1avm h ALA 117 Cb 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1avm h ALA 117 CO -0.03 0.54 -0.38 0.00 0.00 0.00 0.00 179.25 179.38 1avm h ALA 118 N 1.34 0.25 0.00 0.00 0.00 -0.57 -3.32 119.26 116.95 1avm h ALA 118 Ca 0.07 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1avm h ALA 118 Cb 0.61 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1avm h ALA 118 CO 0.04 0.33 -0.23 1.79 0.00 0.00 0.00 179.25 181.19 1avm h THR 119 N 0.15 0.00 -0.01 0.00 1.35 -1.19 -3.33 112.91 109.89 1avm h THR 119 Ca -0.00 -0.82 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 1avm h THR 119 Cb 0.99 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 1avm h THR 119 CO 0.08 0.00 -0.13 0.61 -0.25 0.00 0.00 175.52 175.84 1avm n GLY 120 N 1.19 -0.41 3.70 5.82 0.00 -0.80 -4.95 105.19 109.74 1avm n GLY 120 Ca 0.04 -0.40 -0.44 0.00 0.00 0.00 0.00 46.02 45.22 1avm n GLY 120 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1avm n ILE 121 N -0.35 0.02 -3.25 -0.61 5.41 -1.25 -4.93 119.36 114.39 1avm n ILE 121 Ca 0.16 -0.00 -0.46 0.00 1.00 0.00 0.00 62.75 63.44 1avm n ILE 121 Cb 0.34 -1.82 -0.02 0.00 -0.71 0.00 0.00 39.64 37.42 1avm n ILE 121 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1avm s GLN 122 N 1.14 3.59 0.00 0.38 -0.21 -1.26 -4.89 119.66 118.42 1avm s GLN 122 Ca 0.77 -2.31 0.00 0.00 0.02 0.00 0.00 55.36 53.84 1avm s GLN 122 Cb -0.57 -4.52 0.00 0.00 1.00 0.00 0.00 33.01 28.92 1avm s GLN 122 CO 0.35 -1.39 0.00 0.41 -2.12 0.00 0.00 175.29 172.54 1avm n GLY 123 N 4.29 -0.14 3.81 3.09 0.00 -1.26 -5.01 105.19 109.97 1avm n GLY 123 Ca 0.15 -2.22 -0.33 0.00 0.00 0.00 0.00 46.02 43.62 1avm n GLY 123 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1avm s SER 124 N -4.00 6.69 0.00 1.61 0.01 -1.26 -4.93 113.70 111.81 1avm s SER 124 Ca 0.00 1.77 0.00 0.00 1.31 0.00 0.00 55.95 59.03 1avm s SER 124 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1avm s SER 124 CO 0.00 -0.54 0.00 0.61 0.41 0.00 0.00 173.24 173.72 1avm n GLY 125 N -0.58 -1.27 3.04 3.44 0.00 -1.26 -0.81 105.19 107.76 1avm n GLY 125 Ca 0.08 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 1avm n GLY 125 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1avm s TRP 126 N -2.63 0.60 -0.19 1.61 0.52 -0.63 -0.98 118.94 117.25 1avm s TRP 126 Ca 0.00 -0.46 -0.09 0.00 0.02 0.00 0.00 56.10 55.57 1avm s TRP 126 Cb 0.00 -0.37 -0.05 0.00 -1.15 0.00 0.00 33.47 31.91 1avm s TRP 126 CO 0.00 -0.09 0.10 0.00 0.02 0.00 0.00 176.95 176.98 1avm s ALA 127 N -1.27 3.56 -0.01 0.98 0.00 -0.84 -0.96 121.76 123.23 1avm s ALA 127 Ca -0.10 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.16 1avm s ALA 127 Cb -0.09 -2.05 0.01 0.00 0.00 0.00 0.00 23.12 21.00 1avm s ALA 127 CO 0.00 0.19 0.00 0.45 0.00 0.00 0.00 175.76 176.40 1avm s SER 128 N 0.31 0.19 -0.33 0.00 0.15 0.18 -1.19 113.70 113.01 1avm s SER 128 Ca 0.06 -0.01 -0.11 0.00 0.70 0.00 0.00 55.95 56.59 1avm s SER 128 Cb -0.12 -0.07 -0.01 0.00 -1.71 0.00 0.00 66.02 64.11 1avm s SER 128 CO -0.01 -0.05 0.20 -0.22 1.20 0.00 0.00 173.24 174.36 1avm s LEU 129 N 0.47 4.36 0.24 3.45 2.96 0.55 0.08 118.68 130.79 1avm s LEU 129 Ca -0.04 -0.55 0.09 0.00 -0.22 0.00 0.00 54.13 53.41 1avm s LEU 129 Cb -0.07 -2.06 -0.05 0.00 0.50 0.00 0.00 46.19 44.51 1avm s LEU 129 CO -0.01 -0.24 -0.15 0.68 -1.32 0.00 0.00 176.35 175.31 1avm s VAL 130 N 1.65 1.93 -0.23 1.68 -7.23 -0.27 -0.48 120.40 117.45 1avm s VAL 130 Ca 0.05 -2.25 -0.12 0.00 -1.81 0.00 0.00 61.98 57.84 1avm s VAL 130 Cb -0.17 -2.18 -0.05 0.00 0.56 0.00 0.00 36.38 34.54 1avm s VAL 130 CO 0.08 -0.50 0.24 0.86 -0.31 0.00 0.00 175.10 175.47 1avm s TRP 131 N -2.85 3.34 -0.48 2.82 -0.11 0.30 -1.41 118.94 120.54 1avm s TRP 131 Ca 0.26 0.36 -0.17 0.00 1.22 0.00 0.00 56.10 57.76 1avm s TRP 131 Cb -0.01 -2.35 0.06 0.00 -1.50 0.00 0.00 33.47 29.67 1avm s TRP 131 CO 0.10 0.04 0.47 0.34 -4.62 0.00 0.00 176.95 173.28 1avm s ASP 132 N 1.04 6.17 0.46 5.86 2.15 0.67 -2.14 116.67 130.89 1avm s ASP 132 Ca 0.11 -1.14 0.22 0.00 0.43 0.00 0.00 52.55 52.17 1avm s ASP 132 Cb -0.14 -2.22 1.12 0.00 -0.30 0.00 0.00 42.92 41.38 1avm s ASP 132 CO 0.06 -0.72 1.96 1.55 -0.17 0.00 0.00 175.17 177.84 1avm h PRO 133 N 8.83 0.00 -3.09 4.34 0.13 -1.85 0.42 132.00 140.77 1avm h PRO 133 Ca -0.28 0.00 -0.78 0.00 -0.87 0.00 0.00 66.00 64.07 1avm h PRO 133 Cb 1.11 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.94 1avm h PRO 133 CO 0.90 0.22 0.51 -0.11 -0.23 0.00 0.00 178.00 179.28 1avm n LEU 134 N -3.78 5.78 0.00 1.56 7.94 -1.26 -3.84 117.00 123.40 1avm n LEU 134 Ca -0.02 -5.17 0.00 0.00 -1.11 0.00 0.00 56.01 49.71 1avm n LEU 134 Cb 0.32 -1.27 0.00 0.00 0.53 0.00 0.00 43.42 42.99 1avm n LEU 134 CO 0.34 1.61 0.00 0.61 -1.11 0.00 0.00 177.39 178.83 1avm n GLY 135 N 1.77 0.41 3.59 -3.96 0.00 -1.23 -4.97 105.19 100.79 1avm n GLY 135 Ca 0.25 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.01 1avm n GLY 135 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1avm n LYS 136 N 0.00 -1.32 -3.85 1.61 4.76 0.11 -4.99 118.16 114.48 1avm n LYS 136 Ca 0.00 0.63 -0.08 0.00 -2.87 0.00 0.00 58.31 55.99 1avm n LYS 136 Cb 0.00 -4.22 -0.03 0.00 -1.84 0.00 0.00 35.03 28.94 1avm n LYS 136 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1avm s ARG 137 N -5.43 1.62 -0.21 1.97 1.70 -1.07 -5.00 118.95 112.54 1avm s ARG 137 Ca 0.37 -1.01 -0.07 0.00 -0.47 0.00 0.00 55.73 54.55 1avm s ARG 137 Cb -0.13 0.55 -0.04 0.00 -0.57 0.00 0.00 34.95 34.77 1avm s ARG 137 CO 0.84 -0.71 0.06 0.42 -1.08 0.00 0.00 175.30 174.84 1avm s ILE 138 N -3.93 4.60 0.34 4.99 1.01 -1.26 -0.23 121.20 126.71 1avm s ILE 138 Ca 0.13 -0.09 0.05 0.00 0.00 0.00 0.00 60.65 60.75 1avm s ILE 138 Cb -0.03 -3.10 -0.07 0.00 0.01 0.00 0.00 42.46 39.27 1avm s ILE 138 CO 0.05 0.41 0.02 0.20 0.00 0.00 0.00 174.94 175.61 1avm s ASN 139 N 0.84 2.86 -0.09 3.58 0.02 -0.50 -4.91 114.94 116.74 1avm s ASN 139 Ca 0.04 -1.33 -0.00 0.00 -1.02 0.00 0.00 52.86 50.55 1avm s ASN 139 Cb -0.14 -0.19 -0.03 0.00 0.02 0.00 0.00 41.25 40.92 1avm s ASN 139 CO 0.02 -0.50 -0.07 0.42 0.02 0.00 0.00 177.10 177.00 1avm s THR 140 N -3.07 3.69 0.11 1.60 -4.23 -1.26 -1.11 115.64 111.37 1avm s THR 140 Ca 0.34 -0.47 0.07 0.00 -1.18 0.00 0.00 61.69 60.45 1avm s THR 140 Cb 0.08 -2.53 -0.04 0.00 1.34 0.00 0.00 72.50 71.35 1avm s THR 140 CO 0.15 0.57 -0.17 -0.76 -0.54 0.00 0.00 174.62 173.88 1avm s LEU 141 N -0.52 2.35 -0.36 4.79 1.43 0.11 -4.98 118.68 121.50 1avm s LEU 141 Ca 0.08 -0.74 0.01 0.00 -1.03 0.00 0.00 54.13 52.45 1avm s LEU 141 Cb -0.12 -0.68 0.10 0.00 0.03 0.00 0.00 46.19 45.53 1avm s LEU 141 CO 0.02 -0.06 0.10 -1.58 0.23 0.00 0.00 176.35 175.06 1avm s GLN 142 N -2.26 1.69 0.34 1.70 0.74 -1.26 -0.64 119.66 119.96 1avm s GLN 142 Ca 0.07 -1.84 -0.26 0.00 0.05 0.00 0.00 55.36 53.37 1avm s GLN 142 Cb -0.08 -3.33 -0.09 0.00 1.10 0.00 0.00 33.01 30.61 1avm s GLN 142 CO 0.04 -0.97 1.03 -0.06 -0.55 0.00 0.00 175.29 174.78 1avm s PHE 143 N 0.99 3.49 -0.15 1.67 0.08 -0.13 -4.71 117.98 119.22 1avm s PHE 143 Ca 0.09 1.71 -0.06 0.00 0.12 0.00 0.00 56.93 58.79 1avm s PHE 143 Cb -0.20 -3.12 -0.04 0.00 -0.57 0.00 0.00 43.02 39.09 1avm s PHE 143 CO -0.07 -0.35 0.07 0.71 -0.10 0.00 0.00 175.22 175.48 1avm s TYR 144 N -1.48 3.30 0.00 0.36 2.02 -0.46 -1.61 117.35 119.48 1avm s TYR 144 Ca 0.51 0.18 0.00 0.00 -0.37 0.00 0.00 57.07 57.39 1avm s TYR 144 Cb -0.24 -2.00 0.00 0.00 -0.40 0.00 0.00 41.96 39.31 1avm s TYR 144 CO 0.31 0.32 0.00 -0.25 -1.57 0.00 0.00 175.55 174.35 1avm n ASP 145 N 3.01 0.00 0.00 2.29 8.00 0.01 -2.22 116.55 127.64 1avm n ASP 145 Ca -0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.33 1avm n ASP 145 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 1avm n ASP 145 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1avm n HIS 146 N 3.87 0.00 -0.36 1.24 8.25 -1.26 -4.11 115.22 122.84 1avm n HIS 146 Ca 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.52 1avm n HIS 146 Cb 0.00 0.00 0.16 0.00 1.12 0.00 0.00 29.99 31.27 1avm n HIS 146 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1avm n GLN 147 N -1.56 2.85 -4.38 -0.41 0.00 -1.22 -4.78 117.38 107.87 1avm n GLN 147 Ca 0.00 -2.18 -0.26 0.00 0.00 0.00 0.00 57.00 54.57 1avm n GLN 147 Cb 0.26 -1.37 -0.10 0.00 0.00 0.00 0.00 30.24 29.03 1avm n GLN 147 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 1avm s ASN 148 N -1.26 3.83 -0.67 2.61 0.01 -0.94 -4.82 114.94 113.70 1avm s ASN 148 Ca 0.25 -0.81 -0.01 0.00 -0.71 0.00 0.00 52.86 51.58 1avm s ASN 148 Cb 0.16 -0.46 0.00 0.00 0.41 0.00 0.00 41.25 41.36 1avm s ASN 148 CO 0.12 0.08 0.56 -3.20 -1.51 0.00 0.00 177.10 173.15 1avm n ASN 149 N -0.17 -2.62 -3.66 -1.22 4.05 -1.26 -1.36 115.26 109.01 1avm n ASN 149 Ca -0.09 -0.32 -0.15 0.00 0.45 0.00 0.00 54.58 54.47 1avm n ASN 149 Cb 0.57 -2.98 -0.08 0.00 1.23 0.00 0.00 39.78 38.53 1avm n ASN 149 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 177.26 172.73 1avm s LEU 150 N -4.36 0.03 0.45 1.20 2.34 -1.26 -4.48 118.68 112.59 1avm s LEU 150 Ca 0.08 0.69 -0.20 0.00 0.06 0.00 0.00 54.13 54.76 1avm s LEU 150 Cb -0.04 1.88 -0.10 0.00 -0.56 0.00 0.00 46.19 47.37 1avm s LEU 150 CO 0.39 -0.39 0.96 -2.84 -1.06 0.00 0.00 176.35 173.42 1avm s PRO 151 N -0.61 4.17 0.45 1.48 0.02 -1.26 -5.03 135.00 134.22 1avm s PRO 151 Ca -0.07 1.11 -0.24 0.00 0.02 0.00 0.00 61.00 61.82 1avm s PRO 151 Cb -0.03 -2.17 -0.07 0.00 0.02 0.00 0.00 34.50 32.25 1avm s PRO 151 CO 0.04 -0.08 1.22 0.00 -0.33 0.00 0.00 177.00 177.85 1avm s ALA 152 N -2.24 3.04 0.00 -1.55 0.00 -1.26 -2.90 121.76 116.86 1avm s ALA 152 Ca 0.62 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.62 1avm s ALA 152 Cb -0.09 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1avm s ALA 152 CO 0.16 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.58 1avm n GLY 153 N 0.56 1.16 3.71 0.00 0.00 -1.26 -5.03 105.19 104.33 1avm n GLY 153 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1avm n GLY 153 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1avm s SER 154 N -2.88 6.58 -0.34 1.61 0.01 -1.14 -4.58 113.70 112.96 1avm s SER 154 Ca 0.00 2.58 -0.09 0.00 1.31 0.00 0.00 55.95 59.75 1avm s SER 154 Cb 0.00 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.66 1avm s SER 154 CO 0.00 -0.86 0.15 -0.63 0.41 0.00 0.00 173.24 172.32 1avm s ILE 155 N 1.77 4.37 0.16 1.44 1.01 -0.91 -4.94 121.20 124.11 1avm s ILE 155 Ca 0.72 -0.73 -0.31 0.00 0.00 0.00 0.00 60.65 60.33 1avm s ILE 155 Cb -0.42 -3.35 -0.09 0.00 0.01 0.00 0.00 42.46 38.60 1avm s ILE 155 CO 0.32 -0.08 1.49 -2.16 0.00 0.00 0.00 174.94 174.51 1avm s PRO 156 N 1.54 4.26 -0.15 2.79 0.04 -1.26 -0.54 135.00 141.67 1avm s PRO 156 Ca 0.02 2.26 -0.06 0.00 0.04 0.00 0.00 61.00 63.27 1avm s PRO 156 Cb -0.18 -3.18 -0.07 0.00 0.04 0.00 0.00 34.50 31.11 1avm s PRO 156 CO 0.05 -0.53 -0.18 1.28 0.04 0.00 0.00 177.00 177.67 1avm n LEU 157 N 3.73 1.51 -3.79 -3.56 4.77 0.36 -4.91 117.00 115.11 1avm n LEU 157 Ca 0.12 0.13 -0.14 0.00 -0.03 0.00 0.00 56.01 56.09 1avm n LEU 157 Cb 0.40 -0.46 -0.15 0.00 -2.33 0.00 0.00 43.42 40.88 1avm n LEU 157 CO 0.60 0.41 -0.30 -0.22 -1.33 0.00 0.00 177.39 176.56 1avm s LEU 158 N -6.61 1.16 0.01 2.23 2.96 -0.96 -4.55 118.68 112.92 1avm s LEU 158 Ca -0.21 0.14 0.01 0.00 -0.22 0.00 0.00 54.13 53.85 1avm s LEU 158 Cb 0.08 0.13 -0.01 0.00 0.50 0.00 0.00 46.19 46.88 1avm s LEU 158 CO 0.28 -0.11 -0.04 -1.10 -1.32 0.00 0.00 176.35 174.06 1avm s GLN 159 N 0.83 0.33 -0.14 1.98 -0.21 -1.26 -0.33 119.66 120.86 1avm s GLN 159 Ca -0.07 -0.38 0.00 0.00 0.02 0.00 0.00 55.36 54.94 1avm s GLN 159 Cb -0.09 -0.19 0.02 0.00 1.00 0.00 0.00 33.01 33.75 1avm s GLN 159 CO -0.03 0.04 -0.14 -1.17 -2.12 0.00 0.00 175.29 171.87 1avm s LEU 160 N -0.75 1.63 -0.30 2.90 2.96 -0.33 -4.76 118.68 120.03 1avm s LEU 160 Ca -0.05 -0.46 -0.29 0.00 -0.22 0.00 0.00 54.13 53.11 1avm s LEU 160 Cb -0.05 -1.13 -0.00 0.00 0.50 0.00 0.00 46.19 45.51 1avm s LEU 160 CO -0.00 -0.05 1.34 -0.62 -1.32 0.00 0.00 176.35 175.69 1avm s ASP 161 N 1.45 6.61 -0.09 3.68 -1.08 -1.26 -1.98 116.67 124.01 1avm s ASP 161 Ca 0.04 1.20 0.17 0.00 -0.52 0.00 0.00 52.55 53.44 1avm s ASP 161 Cb -0.13 -2.54 0.58 0.00 -1.46 0.00 0.00 42.92 39.37 1avm s ASP 161 CO -0.09 -1.13 1.50 0.23 0.52 0.00 0.00 175.17 176.20 1avm n MET 162 N 7.42 3.32 -2.31 4.34 2.81 -0.15 -4.82 117.12 127.72 1avm n MET 162 Ca 0.15 -2.66 -0.37 0.00 -1.81 0.00 0.00 57.70 53.01 1avm n MET 162 Cb 0.47 -1.71 -0.02 0.00 -0.71 0.00 0.00 33.22 31.25 1avm n MET 162 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1avm s TRP 163 N -1.74 2.97 0.50 2.03 0.52 -1.22 -4.32 118.94 117.69 1avm s TRP 163 Ca 0.43 1.56 0.20 0.00 0.02 0.00 0.00 56.10 58.30 1avm s TRP 163 Cb 0.27 -3.34 1.28 0.00 -1.15 0.00 0.00 33.47 30.53 1avm s TRP 163 CO 0.21 -1.33 2.03 0.93 0.02 0.00 0.00 176.95 178.81 1avm h GLU 164 N 2.21 0.09 0.00 4.98 5.08 -1.94 -1.40 114.58 123.61 1avm h GLU 164 Ca -0.49 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1avm h GLU 164 Cb 1.24 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1avm h GLU 164 CO 0.61 0.06 0.00 1.12 -1.00 0.00 0.00 179.01 179.80 1avm h HIS 165 N 0.10 0.00 0.00 4.33 2.07 -1.98 0.68 115.15 120.35 1avm h HIS 165 Ca 0.19 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.71 1avm h HIS 165 Cb 0.63 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.61 1avm h HIS 165 CO -0.00 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.86 1avm h ALA 166 N 2.01 1.00 0.00 6.11 0.00 -1.57 -3.41 119.26 123.41 1avm h ALA 166 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1avm h ALA 166 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1avm h ALA 166 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 179.25 181.22 1avm n PHE 167 N -2.53 0.00 -0.24 0.00 1.16 -0.92 -4.97 117.46 109.96 1avm n PHE 167 Ca 0.04 0.00 0.03 0.00 -1.87 0.00 0.00 57.45 55.65 1avm n PHE 167 Cb 0.41 0.00 0.16 0.00 -1.61 0.00 0.00 39.48 38.44 1avm n PHE 167 CO 0.00 0.00 0.00 -0.92 -1.87 0.00 0.00 176.76 173.97 1avm h TYR 168 N 0.00 0.50 -0.05 2.97 3.20 -1.07 0.13 116.97 122.65 1avm h TYR 168 Ca 0.00 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.92 1avm h TYR 168 Cb 0.00 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.15 1avm h TYR 168 CO 0.00 0.10 0.04 -0.07 -1.64 0.00 0.00 178.16 176.58 1avm h LEU 169 N 0.46 0.02 0.00 2.82 3.38 -1.87 -0.36 115.31 119.75 1avm h LEU 169 Ca 0.38 -0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.97 1avm h LEU 169 Cb 0.52 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.21 1avm h LEU 169 CO -0.36 0.01 -2.31 1.67 0.09 0.00 0.00 178.44 177.54 1avm n GLN 170 N -4.53 0.52 0.00 1.13 7.27 -0.93 -4.71 117.38 116.13 1avm n GLN 170 Ca -0.02 0.19 0.10 0.00 0.07 0.00 0.00 57.00 57.35 1avm n GLN 170 Cb 0.13 -1.38 0.02 0.00 2.41 0.00 0.00 30.24 31.42 1avm n GLN 170 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1avm n TYR 171 N -3.77 0.00 0.00 3.69 4.01 0.43 -5.06 117.16 116.46 1avm n TYR 171 Ca -0.44 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.30 1avm n TYR 171 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.89 1avm n TYR 171 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1avm n LYS 172 N 0.29 0.00 0.07 -0.72 4.01 -0.15 -1.94 118.16 119.73 1avm n LYS 172 Ca 0.10 0.00 0.13 0.00 -0.51 0.00 0.00 58.31 58.03 1avm n LYS 172 Cb 0.47 0.00 0.37 0.00 -0.51 0.00 0.00 35.03 35.36 1avm n LYS 172 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1avm n ASN 173 N 4.41 0.65 -4.27 4.39 6.94 -1.26 -4.33 115.26 121.78 1avm n ASN 173 Ca 0.00 0.40 -0.42 0.00 -0.02 0.00 0.00 54.58 54.54 1avm n ASN 173 Cb 0.00 -0.45 -0.01 0.00 -2.36 0.00 0.00 39.78 36.96 1avm n ASN 173 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1avm n VAL 174 N -2.07 3.58 0.28 3.53 0.31 -0.82 -4.75 118.33 118.40 1avm n VAL 174 Ca 0.05 -3.53 0.13 0.00 -0.01 0.00 0.00 64.34 60.99 1avm n VAL 174 Cb 0.41 -2.42 0.81 0.00 -0.91 0.00 0.00 33.84 31.73 1avm n VAL 174 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 1avm h LYS 175 N 7.22 0.00 -0.68 5.55 2.10 -1.83 -2.58 116.57 126.36 1avm h LYS 175 Ca 0.47 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 59.08 1avm h LYS 175 Cb 0.79 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.09 1avm h LYS 175 CO 1.60 0.05 0.25 0.78 -2.00 0.00 0.00 179.45 180.14 1avm h GLY 176 N 0.31 1.11 1.18 0.07 0.00 -1.97 -1.89 103.07 101.87 1avm h GLY 176 Ca -0.00 -0.62 -0.06 0.00 0.00 0.00 0.00 47.33 46.65 1avm h GLY 176 CO 0.01 0.58 0.14 -0.55 0.00 0.00 0.00 176.54 176.72 1avm h ASP 177 N 0.97 0.96 -0.27 0.19 3.32 -1.85 -1.79 116.42 117.95 1avm h ASP 177 Ca 0.22 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1avm h ASP 177 Cb 0.24 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1avm h ASP 177 CO -0.01 0.94 0.16 0.22 -1.72 0.00 0.00 179.24 178.82 1avm h TYR 178 N 0.97 0.35 -0.61 4.55 3.20 -1.46 -1.33 116.97 122.64 1avm h TYR 178 Ca 0.20 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 1avm h TYR 178 Cb 0.36 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 1avm h TYR 178 CO 0.03 0.26 0.18 0.28 -1.64 0.00 0.00 178.16 177.27 1avm h VAL 179 N 0.34 1.25 -0.51 1.81 2.07 -1.16 -0.24 116.25 119.80 1avm h VAL 179 Ca 0.10 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 1avm h VAL 179 Cb 0.01 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1avm h VAL 179 CO -0.02 0.32 0.28 0.11 0.02 0.00 0.00 177.57 178.28 1avm h LYS 180 N 0.87 0.72 -0.53 1.57 1.57 -1.16 -2.74 116.57 116.87 1avm h LYS 180 Ca 0.20 -0.09 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 1avm h LYS 180 Cb 0.30 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1avm h LYS 180 CO -0.00 0.56 -0.04 0.77 -0.57 0.00 0.00 179.45 180.17 1avm h SER 181 N 0.68 0.94 -0.85 0.86 0.02 -1.06 -3.17 113.55 110.98 1avm h SER 181 Ca 0.18 -0.32 0.10 0.00 -0.84 0.00 0.00 61.79 60.90 1avm h SER 181 Cb 0.06 -0.25 -0.06 0.00 0.14 0.00 0.00 62.40 62.28 1avm h SER 181 CO -0.03 1.04 0.55 -0.25 -1.14 0.00 0.00 176.83 177.00 1avm h TRP 182 N 0.82 0.88 -0.28 3.45 7.01 -0.75 -1.65 115.95 125.42 1avm h TRP 182 Ca 0.14 0.02 0.08 0.00 2.11 0.00 0.00 58.89 61.25 1avm h TRP 182 Cb 0.58 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 27.34 1avm h TRP 182 CO 0.04 0.41 0.23 -1.49 -2.79 0.00 0.00 178.44 174.84 1avm h TRP 183 N 0.82 0.00 0.00 2.65 4.06 -1.47 -1.25 115.95 120.76 1avm h TRP 183 Ca 0.39 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 61.31 1avm h TRP 183 Cb 0.43 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.59 1avm h TRP 183 CO -0.00 0.00 -0.16 -0.91 -3.56 0.00 0.00 178.44 173.81 1avm h ASN 184 N 0.00 0.00 -0.37 -3.49 4.21 -1.46 -3.16 115.58 111.32 1avm h ASN 184 Ca 0.13 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.64 1avm h ASN 184 Cb 0.59 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.79 1avm h ASN 184 CO -0.00 0.16 0.00 1.33 -1.29 0.00 0.00 177.43 177.62 1avm n VAL 185 N -3.42 1.62 -2.33 2.81 0.24 -0.48 -4.38 118.33 112.38 1avm n VAL 185 Ca -0.01 -1.36 -0.42 0.00 -2.04 0.00 0.00 64.34 60.52 1avm n VAL 185 Cb 0.34 0.16 -0.03 0.00 -1.47 0.00 0.00 33.84 32.84 1avm n VAL 185 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1avm s VAL 186 N -1.81 3.91 -0.92 3.34 1.01 -1.20 -0.95 120.40 123.78 1avm s VAL 186 Ca 0.35 1.31 -0.19 0.00 0.00 0.00 0.00 61.98 63.45 1avm s VAL 186 Cb 0.24 -3.84 0.13 0.00 0.00 0.00 0.00 36.38 32.91 1avm s VAL 186 CO 0.15 0.03 1.13 0.21 0.00 0.00 0.00 175.10 176.61 1avm s ASN 187 N 1.51 6.62 0.55 3.32 3.04 0.82 -4.77 114.94 126.02 1avm s ASN 187 Ca 0.60 -2.02 0.36 0.00 0.04 0.00 0.00 52.86 51.85 1avm s ASN 187 Cb -0.29 -2.40 1.83 0.00 -1.54 0.00 0.00 41.25 38.84 1avm s ASN 187 CO 0.26 -1.07 2.10 -0.50 -3.04 0.00 0.00 177.10 174.85 1avm h TRP 188 N 8.86 0.00 -0.30 0.43 4.06 -1.85 -1.88 115.95 125.26 1avm h TRP 188 Ca 0.15 0.00 -0.17 0.00 2.06 0.00 0.00 58.89 60.93 1avm h TRP 188 Cb 1.03 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.18 1avm h TRP 188 CO 1.16 0.00 -0.49 -0.44 -3.56 0.00 0.00 178.44 175.11 1avm h ASP 189 N 0.00 0.92 -0.41 -3.49 3.32 -1.91 -1.42 116.42 113.43 1avm h ASP 189 Ca 0.00 -0.46 -0.09 0.00 0.02 0.00 0.00 57.03 56.49 1avm h ASP 189 Cb 0.17 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1avm h ASP 189 CO 0.00 1.25 -0.10 -0.78 -1.72 0.00 0.00 179.24 177.89 1avm h ASP 190 N 0.66 0.80 -0.66 6.45 3.58 -1.64 -2.01 116.42 123.59 1avm h ASP 190 Ca 0.03 -0.36 -0.04 0.00 0.42 0.00 0.00 57.03 57.08 1avm h ASP 190 Cb 1.08 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.88 1avm h ASP 190 CO 0.11 0.98 0.28 0.58 -2.88 0.00 0.00 179.24 178.30 1avm h VAL 191 N 0.61 1.24 -0.82 2.25 2.07 -1.46 -1.85 116.25 118.29 1avm h VAL 191 Ca 0.10 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 1avm h VAL 191 Cb 0.63 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 1avm h VAL 191 CO 0.04 0.29 0.40 0.00 0.02 0.00 0.00 177.57 178.32 1avm h ALA 192 N 1.12 1.16 -0.19 1.67 0.00 -1.13 -1.12 119.26 120.77 1avm h ALA 192 Ca 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1avm h ALA 192 Cb 0.19 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1avm h ALA 192 CO -0.02 0.64 0.04 1.25 0.00 0.00 0.00 179.25 181.16 1avm h LEU 193 N 1.17 0.30 -1.31 0.00 5.85 -1.04 -1.42 115.31 118.86 1avm h LEU 193 Ca 0.28 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1avm h LEU 193 Cb 0.11 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1avm h LEU 193 CO -0.04 0.46 0.31 0.03 -0.34 0.00 0.00 178.44 178.86 1avm h ARG 194 N 0.12 0.78 -0.24 1.25 3.08 -1.11 -2.14 114.38 116.11 1avm h ARG 194 Ca 0.06 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1avm h ARG 194 Cb 0.28 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1avm h ARG 194 CO 0.00 0.57 0.02 0.35 -1.07 0.00 0.00 179.97 179.84 1avm h PHE 195 N 0.79 0.45 -0.91 3.04 3.57 -0.96 0.11 116.94 123.03 1avm h PHE 195 Ca 0.20 -0.07 0.05 0.00 3.53 0.00 0.00 57.97 61.68 1avm h PHE 195 Cb 0.02 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 38.58 1avm h PHE 195 CO 0.00 0.57 0.58 0.77 -2.23 0.00 0.00 178.31 178.01 1avm h SER 196 N 0.21 0.95 1.19 0.41 0.02 -0.79 -2.17 113.55 113.37 1avm h SER 196 Ca 0.07 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.88 1avm h SER 196 Cb 0.38 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 1avm h SER 196 CO 0.01 0.63 -0.84 -0.33 -1.14 0.00 0.00 176.83 175.16 1avm h GLU 197 N 1.10 0.00 0.00 3.45 5.08 -1.33 -3.38 114.58 119.50 1avm h GLU 197 Ca 0.38 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1avm h GLU 197 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1avm h GLU 197 CO -0.15 0.53 -0.00 0.00 -1.00 0.00 0.00 179.01 178.39 1avm h ALA 198 N 1.38 -0.00 0.00 3.43 0.00 -0.35 -3.24 119.26 120.48 1avm h ALA 198 Ca -0.05 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1avm h ALA 198 Cb 1.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1avm h ALA 198 CO 0.07 -0.17 0.00 2.89 0.00 0.00 0.00 179.25 182.04 1avm n ARG 199 N -4.78 0.11 -3.31 0.00 1.85 -0.85 -3.01 116.66 106.67 1avm n ARG 199 Ca -0.09 0.05 -0.25 0.00 -1.00 0.00 0.00 57.85 56.56 1avm n ARG 199 Cb 0.32 -1.50 -0.08 0.00 -1.05 0.00 0.00 32.46 30.15 1avm n ARG 199 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1avm n VAL 200 N -1.06 -0.19 -0.56 8.89 0.31 -1.22 -5.13 118.33 119.36 1avm n VAL 200 Ca 0.03 -4.13 0.00 0.00 -0.01 0.00 0.00 64.34 60.23 1avm n VAL 200 Cb 0.02 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.02 1avm n VAL 200 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51