#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 1.30 -3.92 0.00 3.04 -1.98 -3.43 116.25 111.25 1avm h VAL 2 Ca 0.00 -1.80 -0.69 0.00 -1.01 0.00 0.00 66.70 63.20 1avm h VAL 2 Cb 0.00 1.74 -0.24 0.00 -2.01 0.00 0.00 31.29 30.78 1avm h VAL 2 CO 0.00 0.57 -0.77 -0.31 -1.01 0.00 0.00 177.57 176.06 1avm s TYR 3 N -4.02 2.72 0.09 3.17 2.02 -1.26 -5.13 117.35 114.95 1avm s TYR 3 Ca -0.09 -0.22 0.05 0.00 -0.37 0.00 0.00 57.07 56.44 1avm s TYR 3 Cb 0.10 -1.66 -0.03 0.00 -0.40 0.00 0.00 41.96 39.97 1avm s TYR 3 CO 0.87 0.14 -0.14 0.95 -1.57 0.00 0.00 175.55 175.80 1avm s THR 4 N -0.58 1.16 -0.33 -0.71 -4.23 -1.26 -4.93 115.64 104.75 1avm s THR 4 Ca 0.08 -1.43 -0.29 0.00 -1.18 0.00 0.00 61.69 58.87 1avm s THR 4 Cb -0.11 -1.21 0.02 0.00 1.34 0.00 0.00 72.50 72.53 1avm s THR 4 CO 0.01 -0.29 1.11 -0.22 -0.54 0.00 0.00 174.62 174.69 1avm s LEU 5 N -1.97 3.90 0.46 4.79 0.20 -1.26 -5.01 118.68 119.79 1avm s LEU 5 Ca 0.01 1.01 -0.22 0.00 0.69 0.00 0.00 54.13 55.63 1avm s LEU 5 Cb -0.08 -3.54 -0.08 0.00 -0.43 0.00 0.00 46.19 42.05 1avm s LEU 5 CO 0.02 -0.94 1.07 -2.16 -0.29 0.00 0.00 176.35 174.05 1avm s PRO 6 N 3.80 3.85 0.55 0.98 0.04 -1.26 -5.03 135.00 137.93 1avm s PRO 6 Ca 0.47 1.49 -0.12 0.00 0.04 0.00 0.00 61.00 62.87 1avm s PRO 6 Cb -0.12 -2.26 -0.06 0.00 0.04 0.00 0.00 34.50 32.10 1avm s PRO 6 CO 0.18 -0.41 0.96 -1.83 0.04 0.00 0.00 177.00 175.95 1avm s GLU 7 N -2.95 3.74 0.33 4.56 -1.05 -1.26 -5.02 118.70 117.05 1avm s GLU 7 Ca 0.65 0.75 -0.28 0.00 -0.15 0.00 0.00 54.97 55.93 1avm s GLU 7 Cb -0.20 -2.16 -0.09 0.00 -0.44 0.00 0.00 34.13 31.23 1avm s GLU 7 CO 0.25 -0.37 1.16 -0.51 0.95 0.00 0.00 175.26 176.73 1avm s LEU 8 N -4.60 4.41 0.00 1.83 1.43 -1.26 -4.91 118.68 115.58 1avm s LEU 8 Ca 0.55 2.36 0.02 0.00 -1.03 0.00 0.00 54.13 56.03 1avm s LEU 8 Cb -0.10 -3.77 0.11 0.00 0.03 0.00 0.00 46.19 42.46 1avm s LEU 8 CO 0.42 -0.38 1.03 -0.81 0.23 0.00 0.00 176.35 176.85 1avm n PRO 9 N 0.75 0.96 -3.92 1.29 -0.04 -1.26 -4.83 135.00 127.95 1avm n PRO 9 Ca 0.01 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.39 1avm n PRO 9 Cb 0.45 -1.03 -0.03 0.00 -0.04 0.00 0.00 33.50 32.84 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 -2.00 0.04 0.69 0.54 -0.85 -1.26 -5.10 117.35 109.41 1avm s TYR 10 Ca 0.03 -0.46 -0.15 0.00 -0.52 0.00 0.00 57.07 55.97 1avm s TYR 10 Cb 0.01 0.50 0.02 0.00 0.38 0.00 0.00 41.96 42.87 1avm s TYR 10 CO 0.02 -1.14 1.14 0.34 -1.52 0.00 0.00 175.55 174.39 1avm s ASP 11 N -2.96 4.75 0.40 -0.18 2.15 -1.26 -4.92 116.67 114.64 1avm s ASP 11 Ca 0.16 2.12 0.11 0.00 0.43 0.00 0.00 52.55 55.36 1avm s ASP 11 Cb -0.04 -2.56 0.90 0.00 -0.30 0.00 0.00 42.92 40.92 1avm s ASP 11 CO 0.08 -1.88 1.95 1.88 -0.17 0.00 0.00 175.17 177.03 1avm h TYR 12 N -0.13 0.61 -0.70 -5.34 0.05 -1.97 -2.10 116.97 107.38 1avm h TYR 12 Ca -0.47 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.33 1avm h TYR 12 Cb 1.26 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 38.81 1avm h TYR 12 CO 0.52 0.29 0.00 -1.13 -1.05 0.00 0.00 178.16 176.79 1avm n SER 13 N -4.49 4.26 0.25 3.88 3.41 -1.26 -4.04 113.62 115.63 1avm n SER 13 Ca 0.12 -2.17 0.17 0.00 -0.26 0.00 0.00 58.87 56.72 1avm n SER 13 Cb 0.35 -0.53 0.71 0.00 -0.26 0.00 0.00 64.21 64.48 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 4.28 1.00 -0.42 7.33 0.00 -1.73 -2.86 119.26 126.86 1avm h ALA 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1avm h ALA 14 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1avm h ALA 14 CO 0.09 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.62 1avm n LEU 15 N -2.87 3.09 -4.80 0.00 4.77 -1.26 -4.47 117.00 111.46 1avm n LEU 15 Ca 0.00 -1.40 -0.33 0.00 -0.03 0.00 0.00 56.01 54.25 1avm n LEU 15 Cb 0.25 -0.28 -0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1avm n LEU 15 CO 0.24 0.70 0.72 -1.61 -1.33 0.00 0.00 177.39 176.11 1avm s GLU 16 N -1.45 3.48 0.00 3.23 2.02 -1.08 -1.59 118.70 123.31 1avm s GLU 16 Ca 0.38 1.28 0.29 0.00 0.02 0.00 0.00 54.97 56.94 1avm s GLU 16 Cb 0.21 -2.05 1.55 0.00 0.10 0.00 0.00 34.13 33.94 1avm s GLU 16 CO 0.30 -0.69 2.02 -0.35 0.02 0.00 0.00 175.26 176.55 1avm n PRO 17 N -1.64 1.20 -0.04 0.39 -0.04 -1.26 -4.87 135.00 128.73 1avm n PRO 17 Ca 0.09 -0.29 -0.11 0.00 -0.04 0.00 0.00 63.50 63.15 1avm n PRO 17 Cb 0.53 -1.47 -0.05 0.00 -0.04 0.00 0.00 33.50 32.47 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 0.69 0.25 -3.29 0.54 0.05 -1.71 -3.41 116.97 110.09 1avm h TYR 18 Ca 0.00 -0.01 -0.45 0.00 0.05 0.00 0.00 58.73 58.31 1avm h TYR 18 Cb 0.15 -0.08 -0.37 0.00 1.01 0.00 0.00 36.73 37.44 1avm h TYR 18 CO 0.01 0.28 -0.78 0.42 -1.05 0.00 0.00 178.16 177.04 1avm s ILE 19 N -5.68 0.57 0.53 -2.88 1.01 -0.62 -4.79 121.20 109.33 1avm s ILE 19 Ca -0.14 -0.04 -0.21 0.00 0.00 0.00 0.00 60.65 60.27 1avm s ILE 19 Cb 0.07 -0.66 -0.05 0.00 0.01 0.00 0.00 42.46 41.82 1avm s ILE 19 CO 0.70 0.28 1.22 -0.94 0.00 0.00 0.00 174.94 176.20 1avm s SER 20 N 1.65 5.60 0.48 3.58 1.04 -1.26 -3.03 113.70 121.77 1avm s SER 20 Ca 0.01 2.44 0.19 0.00 0.48 0.00 0.00 55.95 59.07 1avm s SER 20 Cb -0.13 -2.61 1.20 0.00 0.10 0.00 0.00 66.02 64.59 1avm s SER 20 CO -0.04 -1.32 2.05 1.23 0.98 0.00 0.00 173.24 176.14 1avm h GLY 21 N 1.47 0.00 0.95 7.32 0.00 -1.88 -1.97 103.07 108.97 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 0.19 -2.09 0.00 0.00 0.00 176.54 175.21 1avm h GLU 22 N 0.00 0.60 -0.28 4.80 4.81 -1.91 -1.05 114.58 121.55 1avm h GLU 22 Ca -0.00 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 59.08 1avm h GLU 22 Cb 0.26 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1avm h GLU 22 CO 0.02 0.53 -0.02 0.82 -0.73 0.00 0.00 179.01 179.63 1avm h ILE 23 N 0.52 1.26 -0.97 2.32 2.04 -1.80 -2.58 117.51 118.30 1avm h ILE 23 Ca 0.14 -0.98 0.07 0.00 1.00 0.00 0.00 64.86 65.09 1avm h ILE 23 Cb 0.14 1.34 -0.07 0.00 -0.74 0.00 0.00 36.82 37.49 1avm h ILE 23 CO -0.02 0.31 0.62 0.24 0.00 0.00 0.00 178.15 179.31 1avm h MET 24 N 0.29 1.08 0.11 2.37 2.86 -1.17 0.31 114.93 120.78 1avm h MET 24 Ca 0.08 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1avm h MET 24 Cb 0.46 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.88 1avm h MET 24 CO 0.02 0.71 -0.06 0.93 1.06 0.00 0.00 176.91 179.58 1avm h GLU 25 N 1.11 -0.15 -0.32 1.72 5.08 -1.12 -1.49 114.58 119.42 1avm h GLU 25 Ca 0.43 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.78 1avm h GLU 25 Cb 0.21 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1avm h GLU 25 CO -0.19 0.19 0.14 -0.07 -1.00 0.00 0.00 179.01 178.08 1avm h LEU 26 N -0.50 0.43 -0.38 1.33 3.38 -1.19 0.97 115.31 119.35 1avm h LEU 26 Ca -0.02 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.82 1avm h LEU 26 Cb 0.40 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1avm h LEU 26 CO 0.03 0.45 0.23 -0.74 0.09 0.00 0.00 178.44 178.50 1avm h HIS 27 N 0.37 0.43 0.00 1.13 2.76 -0.42 -0.52 115.15 118.91 1avm h HIS 27 Ca 0.11 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.27 1avm h HIS 27 Cb 0.15 -0.14 -0.00 0.00 1.55 0.00 0.00 27.41 28.97 1avm h HIS 27 CO -0.01 0.26 -0.15 1.25 -1.30 0.00 0.00 177.93 177.98 1avm h HIS 28 N 0.47 0.00 -0.11 5.26 -0.00 -1.24 -1.01 115.15 118.52 1avm h HIS 28 Ca 0.15 0.00 -0.12 0.00 -0.00 0.00 0.00 60.37 60.40 1avm h HIS 28 Cb -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.38 1avm h HIS 28 CO -0.07 0.75 -0.47 -0.44 -0.00 0.00 0.00 177.93 177.71 1avm h ASP 29 N -1.00 0.30 0.00 3.26 3.32 -0.89 -3.17 116.42 118.24 1avm h ASP 29 Ca -0.04 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 1avm h ASP 29 Cb 0.75 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.22 1avm h ASP 29 CO -0.02 0.73 -0.95 0.29 -1.72 0.00 0.00 179.24 177.56 1avm n LYS 30 N -3.98 0.48 0.08 3.56 4.76 -0.27 -4.42 118.16 118.37 1avm n LYS 30 Ca -0.02 0.19 -0.13 0.00 -2.87 0.00 0.00 58.31 55.48 1avm n LYS 30 Cb 0.53 -1.34 -0.08 0.00 -1.84 0.00 0.00 35.03 32.29 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 -0.90 -0.19 -0.74 2.13 3.86 -1.32 -2.78 115.15 115.21 1avm h HIS 31 Ca -0.02 -0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.13 1avm h HIS 31 Cb 0.93 0.06 -0.03 0.00 1.06 0.00 0.00 27.41 29.43 1avm h HIS 31 CO -0.38 0.13 0.24 1.25 0.86 0.00 0.00 177.93 180.03 1avm h HIS 32 N -0.53 1.19 -0.85 2.45 -0.00 -1.24 -2.65 115.15 113.52 1avm h HIS 32 Ca -0.02 -0.12 0.05 0.00 -0.00 0.00 0.00 60.37 60.28 1avm h HIS 32 Cb 0.41 -0.34 -0.05 0.00 -0.00 0.00 0.00 27.41 27.42 1avm h HIS 32 CO 0.03 0.93 0.56 -0.22 -0.00 0.00 0.00 177.93 179.23 1avm h LYS 33 N 1.09 0.97 -0.43 5.26 3.64 -1.59 -1.67 116.57 123.84 1avm h LYS 33 Ca 0.24 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.52 1avm h LYS 33 Cb 0.30 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1avm h LYS 33 CO -0.01 0.64 0.11 0.00 -2.27 0.00 0.00 179.45 177.92 1avm h ALA 34 N 1.52 1.38 -0.09 5.00 0.00 -1.17 -2.02 119.26 123.88 1avm h ALA 34 Ca 0.35 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 1avm h ALA 34 Cb 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1avm h ALA 34 CO -0.12 0.45 -0.64 1.88 0.00 0.00 0.00 179.25 180.81 1avm h TYR 35 N 0.62 0.45 -0.03 0.00 0.05 -1.25 -0.77 116.97 116.04 1avm h TYR 35 Ca 0.14 -0.18 -0.00 0.00 0.05 0.00 0.00 58.73 58.74 1avm h TYR 35 Cb 0.23 -0.08 -0.00 0.00 1.01 0.00 0.00 36.73 37.90 1avm h TYR 35 CO 0.01 0.89 0.01 0.28 -1.05 0.00 0.00 178.16 178.30 1avm h VAL 36 N 0.25 1.20 -0.75 -2.88 2.07 -1.08 0.18 116.25 115.24 1avm h VAL 36 Ca -0.01 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 1avm h VAL 36 Cb 1.18 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 32.46 1avm h VAL 36 CO 0.11 0.16 0.43 0.44 0.02 0.00 0.00 177.57 178.72 1avm h ASP 37 N -0.19 0.92 -0.40 0.57 3.32 -1.36 -1.45 116.42 117.84 1avm h ASP 37 Ca 0.01 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 56.89 1avm h ASP 37 Cb 0.25 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1avm h ASP 37 CO 0.00 0.74 -0.04 1.23 -1.72 0.00 0.00 179.24 179.45 1avm h GLY 38 N 1.03 0.88 0.95 2.75 0.00 -1.01 -0.86 103.07 106.81 1avm h GLY 38 Ca 0.27 -0.62 -0.11 0.00 0.00 0.00 0.00 47.33 46.87 1avm h GLY 38 CO -0.05 0.57 -0.24 0.00 0.00 0.00 0.00 176.54 176.83 1avm h ALA 39 N 1.20 0.42 -0.60 3.60 0.00 -0.61 -1.61 119.26 121.66 1avm h ALA 39 Ca 0.14 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1avm h ALA 39 Cb 0.51 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1avm h ALA 39 CO 0.03 0.40 0.21 -0.91 0.00 0.00 0.00 179.25 178.97 1avm h ASN 40 N 0.42 0.85 -0.71 0.00 2.35 -1.15 -2.59 115.58 114.75 1avm h ASN 40 Ca 0.05 -0.19 -0.05 0.00 -0.55 0.00 0.00 56.30 55.56 1avm h ASN 40 Cb 0.79 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.91 1avm h ASN 40 CO 0.06 0.81 0.24 0.74 -1.65 0.00 0.00 177.43 177.64 1avm h THR 41 N 0.84 1.25 -0.61 2.81 2.02 -1.09 -1.61 112.91 116.52 1avm h THR 41 Ca 0.20 -0.86 -0.01 0.00 0.77 0.00 0.00 66.41 66.50 1avm h THR 41 Cb 0.25 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 1avm h THR 41 CO -0.01 0.34 0.33 0.00 0.37 0.00 0.00 175.52 176.55 1avm h ALA 42 N 1.19 0.79 -0.59 6.16 0.00 -1.07 -0.45 119.26 125.29 1avm h ALA 42 Ca 0.24 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1avm h ALA 42 Cb 0.27 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1avm h ALA 42 CO -0.01 0.31 0.09 -0.07 0.00 0.00 0.00 179.25 179.57 1avm h LEU 43 N 0.83 0.94 -0.63 0.00 3.38 -1.18 -1.31 115.31 117.34 1avm h LEU 43 Ca 0.22 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1avm h LEU 43 Cb 0.05 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1avm h LEU 43 CO -0.03 0.96 0.33 0.44 0.09 0.00 0.00 178.44 180.23 1avm h ASP 44 N 0.88 0.79 -0.71 -0.43 3.32 -0.94 -1.22 116.42 118.10 1avm h ASP 44 Ca 0.18 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 1avm h ASP 44 Cb 0.42 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 1avm h ASP 44 CO 0.01 0.67 0.30 0.11 -1.72 0.00 0.00 179.24 178.61 1avm h LYS 45 N 0.85 1.05 -0.54 3.56 6.56 -0.90 -1.52 116.57 125.63 1avm h LYS 45 Ca 0.22 -0.18 -0.08 0.00 -1.06 0.00 0.00 60.65 59.55 1avm h LYS 45 Cb 0.06 -0.18 -0.02 0.00 -0.57 0.00 0.00 32.23 31.52 1avm h LYS 45 CO -0.03 0.86 0.02 -0.07 -2.06 0.00 0.00 179.45 178.17 1avm h LEU 46 N 1.01 0.87 -0.54 2.94 3.38 -0.88 -0.76 115.31 121.32 1avm h LEU 46 Ca 0.24 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1avm h LEU 46 Cb 0.18 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1avm h LEU 46 CO -0.02 0.92 0.11 0.00 0.09 0.00 0.00 178.44 179.53 1avm h ALA 47 N 1.18 0.72 -0.47 1.53 0.00 -0.87 -1.83 119.26 119.52 1avm h ALA 47 Ca 0.16 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1avm h ALA 47 Cb 0.47 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1avm h ALA 47 CO 0.02 0.44 -0.01 1.49 0.00 0.00 0.00 179.25 181.19 1avm h GLU 48 N 0.78 0.79 -0.64 0.00 4.81 -1.03 -1.66 114.58 117.63 1avm h GLU 48 Ca 0.17 -0.22 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 1avm h GLU 48 Cb 0.37 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1avm h GLU 48 CO 0.01 0.81 0.27 0.00 -0.73 0.00 0.00 179.01 179.36 1avm h ALA 49 N 1.25 1.27 -0.36 2.92 0.00 -0.76 -1.05 119.26 122.53 1avm h ALA 49 Ca 0.14 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1avm h ALA 49 Cb 0.47 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1avm h ALA 49 CO 0.02 0.54 -0.16 0.00 0.00 0.00 0.00 179.25 179.66 1avm h ARG 50 N 0.91 0.74 -0.18 0.00 3.08 -0.69 0.10 114.38 118.34 1avm h ARG 50 Ca 0.22 -0.32 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 1avm h ARG 50 Cb 0.16 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1avm h ARG 50 CO -0.02 0.92 0.02 -0.44 -1.07 0.00 0.00 179.97 179.38 1avm h ASP 51 N 0.52 0.28 1.02 7.04 5.19 -1.04 -2.82 116.42 126.62 1avm h ASP 51 Ca 0.08 -0.27 0.00 0.00 -0.62 0.00 0.00 57.03 56.22 1avm h ASP 51 Cb 0.69 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.13 1avm h ASP 51 CO 0.05 0.49 0.00 0.29 -3.12 0.00 0.00 179.24 176.95 1avm n LYS 52 N -4.76 0.11 -2.53 3.56 4.76 -0.42 -4.91 118.16 113.97 1avm n LYS 52 Ca -0.05 0.17 -0.21 0.00 -2.87 0.00 0.00 58.31 55.35 1avm n LYS 52 Cb 0.19 -1.65 -0.00 0.00 -1.84 0.00 0.00 35.03 31.73 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 -1.63 -0.70 -4.02 7.82 0.00 0.25 -4.98 120.51 117.25 1avm n ALA 53 Ca 0.05 0.20 -0.31 0.00 0.00 0.00 0.00 53.44 53.37 1avm n ALA 53 Cb 0.32 -2.56 -0.15 0.00 0.00 0.00 0.00 19.45 17.06 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 -2.19 4.09 -0.45 0.00 -1.08 -0.58 -4.99 116.67 111.46 1avm s ASP 54 Ca 0.06 -1.24 0.04 0.00 -0.52 0.00 0.00 52.55 50.89 1avm s ASP 54 Cb -0.03 -1.40 0.51 0.00 -1.46 0.00 0.00 42.92 40.55 1avm s ASP 54 CO 0.08 -0.19 1.69 0.49 0.52 0.00 0.00 175.17 177.76 1avm n PHE 55 N 4.54 2.51 0.11 -5.34 3.72 -1.26 -4.62 117.46 117.12 1avm n PHE 55 Ca -0.14 -2.24 0.05 0.00 -0.05 0.00 0.00 57.45 55.07 1avm n PHE 55 Cb 0.43 -0.87 0.48 0.00 -0.94 0.00 0.00 39.48 38.58 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 1.54 0.32 -3.27 1.37 0.00 -1.96 -2.51 103.07 98.55 1avm h GLY 56 Ca 0.46 -0.14 -0.22 0.00 0.00 0.00 0.00 47.33 47.44 1avm h GLY 56 CO 1.00 0.13 0.24 0.00 0.00 0.00 0.00 176.54 177.91 1avm n ALA 57 N -2.50 4.48 -0.35 3.60 0.00 -1.26 -4.66 120.51 119.82 1avm n ALA 57 Ca 0.00 -2.50 0.04 0.00 0.00 0.00 0.00 53.44 50.98 1avm n ALA 57 Cb 0.13 -1.14 0.21 0.00 0.00 0.00 0.00 19.45 18.64 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 2.20 1.04 -0.59 0.00 6.09 -1.81 -0.86 117.51 123.58 1avm h ILE 58 Ca 0.27 -0.37 -0.04 0.00 -1.37 0.00 0.00 64.86 63.35 1avm h ILE 58 Cb 2.21 -0.14 -0.03 0.00 0.47 0.00 0.00 36.82 39.34 1avm h ILE 58 CO 0.68 0.20 0.22 0.78 -3.07 0.00 0.00 178.15 176.96 1avm h ASN 59 N 1.09 0.82 -0.18 2.19 2.35 -1.85 -0.68 115.58 119.31 1avm h ASN 59 Ca 0.44 -0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 55.97 1avm h ASN 59 Cb 0.26 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1avm h ASN 59 CO -0.19 0.78 -0.03 0.50 -1.65 0.00 0.00 177.43 176.85 1avm h LYS 60 N 0.81 0.35 -0.61 0.81 3.64 -1.78 -2.75 116.57 117.04 1avm h LYS 60 Ca 0.19 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1avm h LYS 60 Cb 0.23 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 1avm h LYS 60 CO -0.01 0.59 0.20 -0.07 -2.27 0.00 0.00 179.45 177.89 1avm h LEU 61 N 0.07 0.85 -0.92 5.20 3.38 -1.03 0.39 115.31 123.26 1avm h LEU 61 Ca 0.05 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 1avm h LEU 61 Cb 0.45 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1avm h LEU 61 CO 0.02 0.79 -0.49 -0.33 0.09 0.00 0.00 178.44 178.52 1avm h GLU 62 N 0.89 0.13 0.06 1.13 4.39 -1.12 -1.03 114.58 119.03 1avm h GLU 62 Ca 0.20 -0.07 -0.28 0.00 0.34 0.00 0.00 59.36 59.56 1avm h GLU 62 Cb 0.24 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.91 1avm h GLU 62 CO -0.01 0.59 -1.13 -0.22 -1.16 0.00 0.00 179.01 177.07 1avm h LYS 63 N 0.10 0.59 -0.73 2.33 3.64 -1.13 -1.88 116.57 119.49 1avm h LYS 63 Ca 0.00 -0.72 -0.01 0.00 -1.27 0.00 0.00 60.65 58.66 1avm h LYS 63 Cb 0.90 0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.91 1avm h LYS 63 CO 0.07 1.31 0.43 -0.44 -2.27 0.00 0.00 179.45 178.55 1avm h ASP 64 N 0.29 0.89 0.06 4.20 3.32 -0.77 0.55 116.42 124.96 1avm h ASP 64 Ca -0.15 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 56.83 1avm h ASP 64 Cb 1.80 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 41.12 1avm h ASP 64 CO 0.21 0.70 -0.03 0.25 -1.72 0.00 0.00 179.24 178.65 1avm h LEU 65 N 1.00 -0.07 0.00 1.55 5.85 -1.22 -1.75 115.31 120.68 1avm h LEU 65 Ca 0.26 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1avm h LEU 65 Cb -0.02 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 1avm h LEU 65 CO -0.05 0.26 -0.01 0.00 -0.34 0.00 0.00 178.44 178.30 1avm h ALA 66 N 0.51 -0.01 0.37 1.25 0.00 -1.16 0.14 119.26 120.36 1avm h ALA 66 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1avm h ALA 66 Cb 0.36 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1avm h ALA 66 CO 0.01 -0.51 -0.18 0.35 0.00 0.00 0.00 179.25 178.92 1avm h PHE 67 N -0.02 -0.47 -0.36 0.00 3.57 -0.95 -0.56 116.94 118.14 1avm h PHE 67 Ca 0.00 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 1avm h PHE 67 Cb 0.03 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 1avm h PHE 67 CO -0.09 -0.29 -0.21 -0.91 -2.23 0.00 0.00 178.31 174.58 1avm h ASN 68 N -0.51 0.81 -0.47 0.41 2.35 -1.29 -1.19 115.58 115.69 1avm h ASN 68 Ca -0.05 -0.42 -0.12 0.00 -0.55 0.00 0.00 56.30 55.16 1avm h ASN 68 Cb 0.39 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 1avm h ASN 68 CO 0.08 1.05 -0.17 0.25 -1.65 0.00 0.00 177.43 176.99 1avm h LEU 69 N 0.57 0.99 -0.92 1.61 5.85 -0.76 -1.03 115.31 121.61 1avm h LEU 69 Ca 0.08 -0.35 -0.07 0.00 0.84 0.00 0.00 57.88 58.38 1avm h LEU 69 Cb 0.76 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1avm h LEU 69 CO 0.06 1.14 0.05 0.00 -0.34 0.00 0.00 178.44 179.35 1avm h ALA 70 N 0.94 1.11 -0.66 1.25 0.00 -1.05 0.81 119.26 121.65 1avm h ALA 70 Ca 0.12 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1avm h ALA 70 Cb 0.74 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1avm h ALA 70 CO 0.06 0.58 0.21 0.78 0.00 0.00 0.00 179.25 180.87 1avm h GLY 71 N 0.98 1.11 0.86 0.00 0.00 -0.90 -0.08 103.07 105.04 1avm h GLY 71 Ca 0.16 -0.66 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 1avm h GLY 71 CO 0.01 0.62 0.04 0.84 0.00 0.00 0.00 176.54 178.05 1avm h HIS 72 N 0.97 0.41 0.25 5.60 6.17 -0.62 -2.16 115.15 125.77 1avm h HIS 72 Ca 0.21 -0.06 -0.01 0.00 0.71 0.00 0.00 60.37 61.23 1avm h HIS 72 Cb 0.30 -0.11 0.00 0.00 2.52 0.00 0.00 27.41 30.12 1avm h HIS 72 CO 0.02 0.50 -0.12 0.28 0.71 0.00 0.00 177.93 179.33 1avm h VAL 73 N 0.19 0.78 -0.54 5.26 2.07 -0.69 -1.87 116.25 121.46 1avm h VAL 73 Ca 0.07 -0.15 0.07 0.00 0.82 0.00 0.00 66.70 67.51 1avm h VAL 73 Cb 0.31 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 1avm h VAL 73 CO 0.00 0.03 0.21 0.78 0.02 0.00 0.00 177.57 178.62 1avm h ASN 74 N -0.41 0.24 0.54 0.57 2.35 -1.01 -2.13 115.58 115.72 1avm h ASN 74 Ca -0.03 0.06 -0.15 0.00 -0.55 0.00 0.00 56.30 55.63 1avm h ASN 74 Cb 0.31 0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 1avm h ASN 74 CO 0.06 0.16 -0.66 0.45 -1.65 0.00 0.00 177.43 175.79 1avm h HIS 75 N 0.41 0.14 -0.70 1.19 3.86 -1.39 -1.32 115.15 117.34 1avm h HIS 75 Ca 0.26 -0.06 -0.07 0.00 -1.16 0.00 0.00 60.37 59.34 1avm h HIS 75 Cb 0.27 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.69 1avm h HIS 75 CO -0.15 0.73 0.15 0.77 0.86 0.00 0.00 177.93 180.29 1avm h SER 76 N 0.07 1.09 -0.16 2.45 0.02 -0.86 -1.58 113.55 114.58 1avm h SER 76 Ca -0.01 -0.24 -0.13 0.00 -0.84 0.00 0.00 61.79 60.57 1avm h SER 76 Cb 1.17 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.42 1avm h SER 76 CO 0.09 1.05 -0.40 0.58 -1.14 0.00 0.00 176.83 177.02 1avm h VAL 77 N 1.07 1.35 -0.48 2.27 2.07 -1.37 -3.25 116.25 117.91 1avm h VAL 77 Ca 0.22 -1.66 0.09 0.00 0.82 0.00 0.00 66.70 66.17 1avm h VAL 77 Cb 0.40 2.00 -0.08 0.00 -1.52 0.00 0.00 31.29 32.09 1avm h VAL 77 CO 0.01 0.51 -0.00 0.15 0.02 0.00 0.00 177.57 178.25 1avm h PHE 78 N 0.18 -0.03 -0.42 1.57 3.57 -0.96 -0.05 116.94 120.80 1avm h PHE 78 Ca -0.01 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1avm h PHE 78 Cb 1.01 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.82 1avm h PHE 78 CO 0.10 -0.11 0.27 -1.49 -2.23 0.00 0.00 178.31 174.85 1avm h TRP 79 N 0.11 0.53 0.00 0.41 -0.00 -1.36 -2.57 115.95 113.07 1avm h TRP 79 Ca 0.24 0.01 -0.03 0.00 -0.00 0.00 0.00 58.89 59.11 1avm h TRP 79 Cb 0.36 -0.18 -0.00 0.00 -0.00 0.00 0.00 29.16 29.34 1avm h TRP 79 CO -0.31 0.35 -0.15 0.87 -0.00 0.00 0.00 178.44 179.20 1avm h LYS 80 N 0.57 0.00 0.00 0.49 1.57 -1.48 -2.93 116.57 114.79 1avm h LYS 80 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1avm h LYS 80 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1avm h LYS 80 CO -0.03 0.15 0.00 0.09 -0.57 0.00 0.00 179.45 179.09 1avm n ASN 81 N -3.27 0.00 -4.48 0.86 3.02 -0.07 -4.74 115.26 106.58 1avm n ASN 81 Ca 0.01 0.33 -0.24 0.00 -0.03 0.00 0.00 54.58 54.64 1avm n ASN 81 Cb 0.42 -0.42 -0.10 0.00 -0.61 0.00 0.00 39.78 39.07 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 -2.84 1.69 -0.07 3.52 -1.94 -1.11 0.07 119.30 118.63 1avm s MET 82 Ca 0.12 -1.80 -0.29 0.00 -1.71 0.00 0.00 55.69 52.00 1avm s MET 82 Cb 0.12 -1.72 0.11 0.00 2.01 0.00 0.00 34.83 35.35 1avm s MET 82 CO 0.30 0.28 0.91 0.00 -0.01 0.00 0.00 175.02 176.50 1avm s ALA 83 N -2.56 -1.86 0.21 3.03 0.00 -0.01 -4.65 121.76 115.92 1avm s ALA 83 Ca 0.30 1.25 -0.32 0.00 0.00 0.00 0.00 51.96 53.19 1avm s ALA 83 Cb -0.03 -0.03 -0.14 0.00 0.00 0.00 0.00 23.12 22.92 1avm s ALA 83 CO 0.15 -0.52 1.27 -2.30 0.00 0.00 0.00 175.76 174.36 1avm n PRO 84 N 0.20 1.60 0.00 0.00 -0.02 -1.26 -4.61 135.00 130.91 1avm n PRO 84 Ca -0.10 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1avm n PRO 84 Cb 0.60 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1avm n PRO 84 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1avm n LYS 85 N 1.82 0.00 -0.25 -0.52 0.00 -1.26 -0.65 118.16 117.29 1avm n LYS 85 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 58.31 58.44 1avm n LYS 85 Cb 0.28 0.00 0.09 0.00 0.00 0.00 0.00 35.03 35.40 1avm n LYS 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1avm n GLY 86 N -0.71 2.08 0.41 3.14 0.00 -1.26 -3.98 105.19 104.87 1avm n GLY 86 Ca 0.00 -0.25 0.13 0.00 0.00 0.00 0.00 46.02 45.90 1avm n GLY 86 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1avm n SER 87 N 0.14 1.50 -3.55 1.61 3.41 0.17 -4.93 113.62 111.97 1avm n SER 87 Ca 0.09 -1.25 -0.11 0.00 -0.26 0.00 0.00 58.87 57.33 1avm n SER 87 Cb 0.57 0.15 -0.04 0.00 -0.26 0.00 0.00 64.21 64.63 1avm n SER 87 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1avm s ALA 88 N -2.32 -1.22 0.27 7.33 0.00 -1.26 -5.02 121.76 119.54 1avm s ALA 88 Ca 0.27 0.22 -0.30 0.00 0.00 0.00 0.00 51.96 52.15 1avm s ALA 88 Cb 0.20 0.74 -0.11 0.00 0.00 0.00 0.00 23.12 23.94 1avm s ALA 88 CO 0.46 -0.68 1.52 -2.14 0.00 0.00 0.00 175.76 174.92 1avm s PRO 89 N -3.65 4.19 0.00 0.00 0.02 -1.26 -4.89 135.00 129.41 1avm s PRO 89 Ca 0.01 2.45 0.15 0.00 0.02 0.00 0.00 61.00 63.63 1avm s PRO 89 Cb 0.01 -3.06 0.77 0.00 0.02 0.00 0.00 34.50 32.23 1avm s PRO 89 CO -0.11 -0.53 1.42 0.39 -0.33 0.00 0.00 177.00 177.84 1avm n GLU 90 N 2.20 0.23 -3.81 5.54 -0.58 -1.26 -4.49 120.64 118.46 1avm n GLU 90 Ca 0.07 0.14 -0.12 0.00 -0.42 0.00 0.00 57.16 56.82 1avm n GLU 90 Cb 0.39 -1.50 -0.12 0.00 -0.57 0.00 0.00 31.44 29.64 1avm n GLU 90 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1avm s ARG 91 N -2.55 0.22 0.53 3.49 3.52 -1.26 -5.05 118.95 117.85 1avm s ARG 91 Ca 0.15 0.23 -0.22 0.00 -0.13 0.00 0.00 55.73 55.75 1avm s ARG 91 Cb 0.10 0.11 -0.06 0.00 -1.56 0.00 0.00 34.95 33.54 1avm s ARG 91 CO 0.23 -0.03 1.36 -2.30 -0.81 0.00 0.00 175.30 173.74 1avm n PRO 92 N 2.92 1.76 -4.31 5.12 -0.02 -1.26 -5.03 135.00 134.19 1avm n PRO 92 Ca -0.13 0.64 -0.17 0.00 -2.02 0.00 0.00 63.50 61.82 1avm n PRO 92 Cb 0.59 -2.56 -0.09 0.00 -0.02 0.00 0.00 33.50 31.41 1avm n PRO 92 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1avm s THR 93 N -1.27 0.26 0.00 3.45 -1.32 -1.26 -4.50 115.64 110.99 1avm s THR 93 Ca 0.70 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 59.18 1avm s THR 93 Cb -0.43 -2.52 0.00 0.00 -1.51 0.00 0.00 72.50 68.04 1avm s THR 93 CO 0.51 0.00 0.00 0.47 -2.21 0.00 0.00 174.62 173.39 1avm n ASP 94 N -0.82 0.00 -0.21 8.08 8.00 -1.26 -2.11 116.55 128.22 1avm n ASP 94 Ca 0.02 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.51 1avm n ASP 94 Cb 0.65 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.85 1avm n ASP 94 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1avm h GLU 95 N 0.00 0.54 -0.43 -1.24 3.07 -1.99 -1.30 114.58 113.23 1avm h GLU 95 Ca 0.00 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.80 1avm h GLU 95 Cb 0.00 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.77 1avm h GLU 95 CO 0.00 0.36 0.16 1.25 -1.40 0.00 0.00 179.01 179.37 1avm h LEU 96 N 0.56 0.61 -0.71 1.33 5.85 -1.91 -1.11 115.31 119.93 1avm h LEU 96 Ca 0.30 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1avm h LEU 96 Cb 0.27 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 1avm h LEU 96 CO -0.23 0.63 0.46 1.23 -0.34 0.00 0.00 178.44 180.20 1avm h GLY 97 N 0.56 1.01 1.40 3.75 0.00 -0.89 -0.98 103.07 107.92 1avm h GLY 97 Ca 0.14 -0.39 -0.11 0.00 0.00 0.00 0.00 47.33 46.97 1avm h GLY 97 CO -0.01 0.38 -0.24 0.00 0.00 0.00 0.00 176.54 176.67 1avm h ALA 98 N 1.25 0.92 -0.48 3.60 0.00 -1.11 -2.47 119.26 120.97 1avm h ALA 98 Ca 0.26 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1avm h ALA 98 Cb -0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1avm h ALA 98 CO -0.05 0.62 -0.08 0.00 0.00 0.00 0.00 179.25 179.73 1avm h ALA 99 N 1.13 0.95 -0.41 0.00 0.00 -0.70 -1.18 119.26 119.05 1avm h ALA 99 Ca 0.08 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1avm h ALA 99 Cb 0.73 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1avm h ALA 99 CO 0.06 0.62 -0.01 0.82 0.00 0.00 0.00 179.25 180.73 1avm h ILE 100 N 0.78 1.26 -0.40 0.00 2.04 -1.03 -1.40 117.51 118.77 1avm h ILE 100 Ca 0.13 -1.04 -0.07 0.00 1.00 0.00 0.00 64.86 64.89 1avm h ILE 100 Cb 0.59 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 1avm h ILE 100 CO 0.04 0.35 -0.03 0.44 0.00 0.00 0.00 178.15 178.95 1avm h ASP 101 N 0.55 0.62 -0.27 1.72 3.32 -1.28 0.62 116.42 121.71 1avm h ASP 101 Ca 0.11 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 1avm h ASP 101 Cb 0.50 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1avm h ASP 101 CO 0.02 0.71 -0.07 -0.08 -1.72 0.00 0.00 179.24 178.11 1avm h GLU 102 N 0.61 0.53 0.00 3.56 4.81 -0.97 0.92 114.58 124.04 1avm h GLU 102 Ca 0.12 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1avm h GLU 102 Cb 0.43 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1avm h GLU 102 CO 0.02 0.74 -0.73 1.19 -0.73 0.00 0.00 179.01 179.50 1avm n PHE 103 N -4.52 0.14 -0.04 0.92 3.72 -0.55 -4.44 117.46 112.70 1avm n PHE 103 Ca -0.03 0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1avm n PHE 103 Cb 0.31 -0.32 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 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 -1.70 0.00 0.00 1.38 3.72 0.20 -5.01 117.46 116.05 1avm n PHE 104 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 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 0.49 2.69 3.72 1.37 0.00 0.32 -4.55 105.19 109.23 1avm n GLY 105 Ca 0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 46.02 45.32 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 0.02 -0.12 0.14 1.61 1.04 -1.26 -4.75 113.70 110.39 1avm s SER 106 Ca 0.00 -0.33 -0.13 0.00 0.48 0.00 0.00 55.95 55.97 1avm s SER 106 Cb 0.00 0.37 0.01 0.00 0.10 0.00 0.00 66.02 66.50 1avm s SER 106 CO 0.00 -0.69 1.61 0.15 0.98 0.00 0.00 173.24 175.29 1avm h PHE 107 N 2.00 0.88 -0.90 5.02 3.57 -1.91 -2.47 116.94 123.13 1avm h PHE 107 Ca -0.26 -0.14 -0.01 0.00 3.53 0.00 0.00 57.97 61.09 1avm h PHE 107 Cb 1.22 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.68 1avm h PHE 107 CO 0.45 0.83 0.53 -0.44 -2.23 0.00 0.00 178.31 177.44 1avm h ASP 108 N 0.68 1.09 -0.68 0.41 3.32 -1.96 -0.31 116.42 118.96 1avm h ASP 108 Ca 0.14 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 1avm h ASP 108 Cb 0.45 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 1avm h ASP 108 CO 0.02 0.85 0.15 0.78 -1.72 0.00 0.00 179.24 179.31 1avm h ASN 109 N 1.24 1.06 -0.24 6.45 4.21 -1.80 -0.89 115.58 125.60 1avm h ASN 109 Ca 0.32 -0.23 -0.03 0.00 1.21 0.00 0.00 56.30 57.57 1avm h ASN 109 Cb -0.03 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 36.88 1avm h ASN 109 CO -0.06 1.03 0.05 -0.03 -1.29 0.00 0.00 177.43 177.13 1avm h MET 110 N 1.05 0.39 -0.69 0.81 4.05 -0.94 -1.97 114.93 117.63 1avm h MET 110 Ca 0.21 -0.10 0.03 0.00 -0.28 0.00 0.00 59.70 59.56 1avm h MET 110 Cb 0.39 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.10 1avm h MET 110 CO 0.01 0.51 0.43 0.87 0.23 0.00 0.00 176.91 178.96 1avm h LYS 111 N 0.21 0.82 -0.56 0.39 1.57 -0.86 -0.08 116.57 118.07 1avm h LYS 111 Ca 0.07 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1avm h LYS 111 Cb 0.30 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 1avm h LYS 111 CO 0.00 0.55 0.29 0.00 -0.57 0.00 0.00 179.45 179.72 1avm h ALA 112 N 1.29 0.72 -0.27 3.86 0.00 -1.02 0.53 119.26 124.37 1avm h ALA 112 Ca 0.28 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 1avm h ALA 112 Cb 0.01 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1avm h ALA 112 CO -0.11 0.26 -0.27 0.37 0.00 0.00 0.00 179.25 179.50 1avm h GLN 113 N 0.75 0.66 -0.47 0.00 4.15 -1.03 -1.77 115.11 117.42 1avm h GLN 113 Ca 0.19 -0.35 -0.02 0.00 0.77 0.00 0.00 58.65 59.24 1avm h GLN 113 Cb 0.08 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 1avm h GLN 113 CO -0.03 0.96 0.20 0.35 -1.93 0.00 0.00 178.83 178.38 1avm h PHE 114 N 0.39 0.70 -0.51 3.99 3.04 -0.91 -1.51 116.94 122.13 1avm h PHE 114 Ca 0.04 -0.05 -0.04 0.00 3.98 0.00 0.00 57.97 61.91 1avm h PHE 114 Cb 0.84 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 39.12 1avm h PHE 114 CO 0.07 0.58 0.16 1.15 -2.02 0.00 0.00 178.31 178.26 1avm h THR 115 N 0.61 1.23 -0.83 4.41 2.02 -0.87 -0.75 112.91 118.73 1avm h THR 115 Ca 0.16 -0.76 -0.04 0.00 0.77 0.00 0.00 66.41 66.54 1avm h THR 115 Cb 0.17 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 1avm h THR 115 CO -0.02 0.28 0.37 0.00 0.37 0.00 0.00 175.52 176.53 1avm h ALA 116 N 1.02 1.09 -0.42 6.16 0.00 -1.16 -0.86 119.26 125.09 1avm h ALA 116 Ca 0.17 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1avm h ALA 116 Cb 0.27 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1avm h ALA 116 CO -0.01 0.67 -0.16 0.00 0.00 0.00 0.00 179.25 179.75 1avm h ALA 117 N 1.21 0.92 -0.19 0.00 0.00 -0.99 -2.23 119.26 117.98 1avm h ALA 117 Ca 0.28 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1avm h ALA 117 Cb 0.16 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1avm h ALA 117 CO -0.03 0.62 -0.15 0.00 0.00 0.00 0.00 179.25 179.69 1avm h ALA 118 N 1.11 0.28 0.00 0.00 0.00 -0.67 -3.31 119.26 116.67 1avm h ALA 118 Ca 0.11 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1avm h ALA 118 Cb 0.66 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1avm h ALA 118 CO 0.05 0.16 -0.07 1.79 0.00 0.00 0.00 179.25 181.17 1avm h THR 119 N 0.11 0.00 -0.01 0.00 1.35 -1.17 -3.32 112.91 109.86 1avm h THR 119 Ca 0.04 -0.83 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 1avm h THR 119 Cb 0.67 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 1avm h THR 119 CO 0.04 0.00 -0.09 0.61 -0.25 0.00 0.00 175.52 175.83 1avm n GLY 120 N 1.17 -0.11 3.69 5.82 0.00 -0.84 -4.96 105.19 109.97 1avm n GLY 120 Ca 0.04 -0.46 -0.44 0.00 0.00 0.00 0.00 46.02 45.16 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 0.01 0.08 -3.28 -0.61 5.41 -1.25 -4.92 119.36 114.79 1avm n ILE 121 Ca 0.16 -0.02 -0.46 0.00 1.00 0.00 0.00 62.75 63.43 1avm n ILE 121 Cb 0.37 -1.71 -0.01 0.00 -0.71 0.00 0.00 39.64 37.58 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 0.90 3.81 0.00 0.38 -0.21 -1.26 -4.89 119.66 118.39 1avm s GLN 122 Ca 0.76 -2.64 0.00 0.00 0.02 0.00 0.00 55.36 53.50 1avm s GLN 122 Cb -0.61 -4.54 0.00 0.00 1.00 0.00 0.00 33.01 28.86 1avm s GLN 122 CO 0.37 -1.34 0.00 0.41 -2.12 0.00 0.00 175.29 172.60 1avm n GLY 123 N 3.72 0.37 3.82 3.09 0.00 -1.26 -5.04 105.19 109.89 1avm n GLY 123 Ca 0.19 -2.29 -0.33 0.00 0.00 0.00 0.00 46.02 43.59 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 6.73 0.00 1.61 0.01 -1.26 -4.94 113.70 111.84 1avm s SER 124 Ca 0.00 1.71 0.00 0.00 1.31 0.00 0.00 55.95 58.97 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 -0.51 0.00 0.61 0.41 0.00 0.00 173.24 173.75 1avm n GLY 125 N -0.80 -1.26 3.00 3.44 0.00 -1.26 -0.39 105.19 107.92 1avm n GLY 125 Ca 0.07 -0.85 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 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 -3.00 0.33 -0.18 1.61 0.52 -0.68 -0.81 118.94 116.73 1avm s TRP 126 Ca 0.00 -0.58 -0.06 0.00 0.02 0.00 0.00 56.10 55.48 1avm s TRP 126 Cb 0.00 -0.23 -0.04 0.00 -1.15 0.00 0.00 33.47 32.05 1avm s TRP 126 CO 0.00 -0.20 0.03 0.00 0.02 0.00 0.00 176.95 176.81 1avm s ALA 127 N -1.69 3.27 -0.01 0.98 0.00 -0.86 -0.82 121.76 122.63 1avm s ALA 127 Ca -0.13 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.04 1avm s ALA 127 Cb -0.08 -1.83 -0.00 0.00 0.00 0.00 0.00 23.12 21.21 1avm s ALA 127 CO -0.02 0.13 -0.05 0.45 0.00 0.00 0.00 175.76 176.28 1avm s SER 128 N 0.47 0.57 -0.29 0.00 0.15 -0.01 -1.23 113.70 113.36 1avm s SER 128 Ca 0.01 -0.09 -0.08 0.00 0.70 0.00 0.00 55.95 56.49 1avm s SER 128 Cb -0.13 -0.09 -0.01 0.00 -1.71 0.00 0.00 66.02 64.08 1avm s SER 128 CO 0.01 0.05 0.11 -0.22 1.20 0.00 0.00 173.24 174.39 1avm s LEU 129 N -0.01 3.83 0.21 3.45 2.96 0.69 -0.12 118.68 129.70 1avm s LEU 129 Ca 0.01 -0.46 0.07 0.00 -0.22 0.00 0.00 54.13 53.53 1avm s LEU 129 Cb -0.03 -1.95 -0.05 0.00 0.50 0.00 0.00 46.19 44.66 1avm s LEU 129 CO -0.00 -0.14 -0.13 0.68 -1.32 0.00 0.00 176.35 175.44 1avm s VAL 130 N 1.59 1.70 -0.24 1.68 -7.23 -0.00 -0.63 120.40 117.27 1avm s VAL 130 Ca 0.05 -2.20 -0.12 0.00 -1.81 0.00 0.00 61.98 57.90 1avm s VAL 130 Cb -0.16 -2.09 -0.05 0.00 0.56 0.00 0.00 36.38 34.64 1avm s VAL 130 CO 0.05 -0.56 0.24 0.86 -0.31 0.00 0.00 175.10 175.38 1avm s TRP 131 N -2.99 3.31 -0.46 2.82 -0.11 0.40 -1.34 118.94 120.56 1avm s TRP 131 Ca 0.23 0.32 -0.18 0.00 1.22 0.00 0.00 56.10 57.70 1avm s TRP 131 Cb -0.00 -2.38 0.04 0.00 -1.50 0.00 0.00 33.47 29.64 1avm s TRP 131 CO 0.07 -0.01 0.51 0.34 -4.62 0.00 0.00 176.95 173.24 1avm s ASP 132 N 1.20 6.20 0.29 5.86 2.15 0.76 -2.03 116.67 131.11 1avm s ASP 132 Ca 0.11 -0.86 0.01 0.00 0.43 0.00 0.00 52.55 52.24 1avm s ASP 132 Cb -0.14 -2.25 0.45 0.00 -0.30 0.00 0.00 42.92 40.68 1avm s ASP 132 CO 0.07 -0.72 1.79 -0.65 -0.17 0.00 0.00 175.17 175.49 1avm h PRO 133 N 8.84 0.63 0.02 4.34 0.11 -1.85 0.41 132.00 144.49 1avm h PRO 133 Ca -0.27 -0.17 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 1avm h PRO 133 Cb 1.10 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1avm h PRO 133 CO 0.88 0.69 -0.01 1.25 -0.21 0.00 0.00 178.00 180.59 1avm h LEU 134 N 0.58 -0.02 -0.28 2.35 5.85 -1.94 -3.26 115.31 118.59 1avm h LEU 134 Ca 0.11 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.32 1avm h LEU 134 Cb 0.46 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1avm h LEU 134 CO 0.02 0.51 -0.28 0.61 -0.34 0.00 0.00 178.44 178.96 1avm n GLY 135 N 0.35 -0.90 3.68 3.75 0.00 -1.23 -4.96 105.19 105.87 1avm n GLY 135 Ca -0.09 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.99 -2.32 -3.98 1.61 5.02 0.14 -4.99 118.16 112.64 1avm n LYS 136 Ca 0.11 0.52 -0.09 0.00 -2.02 0.00 0.00 58.31 56.83 1avm n LYS 136 Cb 0.33 -4.56 -0.05 0.00 -0.02 0.00 0.00 35.03 30.72 1avm n LYS 136 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1avm s ARG 137 N -5.89 1.48 -0.21 1.97 1.70 -0.92 -4.98 118.95 112.10 1avm s ARG 137 Ca 0.32 -1.22 -0.09 0.00 -0.47 0.00 0.00 55.73 54.26 1avm s ARG 137 Cb -0.10 0.46 -0.04 0.00 -0.57 0.00 0.00 34.95 34.69 1avm s ARG 137 CO 0.84 -0.61 0.11 0.42 -1.08 0.00 0.00 175.30 174.98 1avm s ILE 138 N -4.01 5.04 0.25 4.99 1.01 -1.26 -0.17 121.20 127.05 1avm s ILE 138 Ca 0.21 0.06 0.07 0.00 0.00 0.00 0.00 60.65 61.00 1avm s ILE 138 Cb -0.00 -3.31 -0.05 0.00 0.01 0.00 0.00 42.46 39.10 1avm s ILE 138 CO 0.07 0.40 -0.09 0.20 0.00 0.00 0.00 174.94 175.52 1avm s ASN 139 N 0.77 2.69 -0.09 3.58 0.02 -0.45 -4.92 114.94 116.54 1avm s ASN 139 Ca 0.06 -1.12 -0.02 0.00 -1.02 0.00 0.00 52.86 50.76 1avm s ASN 139 Cb -0.13 -0.15 -0.03 0.00 0.02 0.00 0.00 41.25 40.95 1avm s ASN 139 CO 0.02 -0.27 -0.01 0.42 0.02 0.00 0.00 177.10 177.28 1avm s THR 140 N -2.99 4.21 0.15 1.60 -4.23 -1.26 -0.82 115.64 112.29 1avm s THR 140 Ca 0.27 -0.28 0.07 0.00 -1.18 0.00 0.00 61.69 60.56 1avm s THR 140 Cb 0.02 -2.77 -0.04 0.00 1.34 0.00 0.00 72.50 71.05 1avm s THR 140 CO 0.10 0.60 -0.15 -0.76 -0.54 0.00 0.00 174.62 173.87 1avm s LEU 141 N -0.82 2.44 -0.35 4.79 1.43 0.83 -4.98 118.68 122.02 1avm s LEU 141 Ca 0.13 -0.87 0.04 0.00 -1.03 0.00 0.00 54.13 52.40 1avm s LEU 141 Cb -0.11 -0.63 0.10 0.00 0.03 0.00 0.00 46.19 45.58 1avm s LEU 141 CO 0.02 -0.13 0.06 -1.58 0.23 0.00 0.00 176.35 174.95 1avm s GLN 142 N -2.91 1.46 0.35 1.70 0.74 -1.26 -0.83 119.66 118.92 1avm s GLN 142 Ca 0.13 -1.87 -0.26 0.00 0.05 0.00 0.00 55.36 53.41 1avm s GLN 142 Cb -0.04 -3.14 -0.09 0.00 1.10 0.00 0.00 33.01 30.84 1avm s GLN 142 CO 0.04 -0.95 1.06 -0.06 -0.55 0.00 0.00 175.29 174.82 1avm s PHE 143 N 0.88 3.41 -0.15 1.67 0.08 -0.00 -4.74 117.98 119.13 1avm s PHE 143 Ca 0.11 1.68 -0.07 0.00 0.12 0.00 0.00 56.93 58.78 1avm s PHE 143 Cb -0.19 -3.16 -0.04 0.00 -0.57 0.00 0.00 43.02 39.06 1avm s PHE 143 CO -0.09 -0.52 0.08 0.71 -0.10 0.00 0.00 175.22 175.30 1avm s TYR 144 N -1.49 3.34 0.00 0.36 2.02 -0.35 -1.69 117.35 119.54 1avm s TYR 144 Ca 0.53 0.23 0.00 0.00 -0.37 0.00 0.00 57.07 57.46 1avm s TYR 144 Cb -0.25 -2.00 0.00 0.00 -0.40 0.00 0.00 41.96 39.30 1avm s TYR 144 CO 0.32 0.36 0.00 -0.25 -1.57 0.00 0.00 175.55 174.41 1avm n ASP 145 N 2.93 0.00 0.00 2.29 8.00 0.47 -2.16 116.55 128.07 1avm n ASP 145 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 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 7.37 0.00 -0.60 1.24 8.25 -1.26 -4.05 115.22 126.17 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 0.11 0.00 1.12 0.00 0.00 29.99 31.22 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 -1.49 2.29 -4.41 -0.41 0.00 -1.21 -4.77 117.38 107.38 1avm n GLN 147 Ca 0.00 -2.20 -0.24 0.00 0.00 0.00 0.00 57.00 54.56 1avm n GLN 147 Cb 0.33 -1.36 -0.11 0.00 0.00 0.00 0.00 30.24 29.10 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 -1.89 3.23 -0.61 2.61 0.01 -0.92 -4.82 114.94 112.55 1avm s ASN 148 Ca 0.22 -0.92 -0.02 0.00 -0.71 0.00 0.00 52.86 51.43 1avm s ASN 148 Cb 0.18 -0.23 0.00 0.00 0.41 0.00 0.00 41.25 41.61 1avm s ASN 148 CO 0.04 0.04 0.52 -3.20 -1.51 0.00 0.00 177.10 172.99 1avm n ASN 149 N -0.02 -2.91 -3.72 -1.22 4.05 -1.26 -1.22 115.26 108.97 1avm n ASN 149 Ca -0.10 -0.28 -0.14 0.00 0.45 0.00 0.00 54.58 54.51 1avm n ASN 149 Cb 0.58 -2.69 -0.09 0.00 1.23 0.00 0.00 39.78 38.81 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 -4.05 0.44 0.38 1.20 2.34 -1.26 -4.49 118.68 113.23 1avm s LEU 150 Ca 0.12 0.56 -0.22 0.00 0.06 0.00 0.00 54.13 54.65 1avm s LEU 150 Cb -0.05 1.50 -0.10 0.00 -0.56 0.00 0.00 46.19 46.98 1avm s LEU 150 CO 0.35 -0.31 0.93 -2.84 -1.06 0.00 0.00 176.35 173.42 1avm s PRO 151 N -0.49 4.34 0.43 1.48 0.02 -1.26 -5.02 135.00 134.50 1avm s PRO 151 Ca -0.06 1.16 -0.25 0.00 0.02 0.00 0.00 61.00 61.87 1avm s PRO 151 Cb -0.03 -2.42 -0.08 0.00 0.02 0.00 0.00 34.50 31.98 1avm s PRO 151 CO 0.03 0.10 1.26 0.00 -0.33 0.00 0.00 177.00 178.06 1avm s ALA 152 N -1.96 3.13 0.00 -1.55 0.00 -1.26 -2.83 121.76 117.30 1avm s ALA 152 Ca 0.57 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.67 1avm s ALA 152 Cb -0.13 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1avm s ALA 152 CO 0.17 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.53 1avm n GLY 153 N 0.63 0.77 3.69 0.00 0.00 -1.26 -5.03 105.19 103.99 1avm n GLY 153 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.67 6.62 -0.34 1.61 0.01 -1.13 -4.59 113.70 113.22 1avm s SER 154 Ca 0.00 2.48 -0.12 0.00 1.31 0.00 0.00 55.95 59.62 1avm s SER 154 Cb 0.00 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.65 1avm s SER 154 CO 0.00 -0.86 0.22 -0.63 0.41 0.00 0.00 173.24 172.38 1avm s ILE 155 N 2.35 5.06 0.11 1.44 -1.09 -0.86 -4.94 121.20 123.28 1avm s ILE 155 Ca 0.72 -0.32 -0.31 0.00 -2.23 0.00 0.00 60.65 58.52 1avm s ILE 155 Cb -0.40 -3.61 -0.08 0.00 -1.58 0.00 0.00 42.46 36.79 1avm s ILE 155 CO 0.32 -0.01 1.40 -2.16 -1.23 0.00 0.00 174.94 173.26 1avm s PRO 156 N 1.68 4.31 -0.13 2.79 0.04 -1.26 -0.46 135.00 141.98 1avm s PRO 156 Ca 0.05 2.09 -0.02 0.00 0.04 0.00 0.00 61.00 63.16 1avm s PRO 156 Cb -0.17 -3.26 -0.07 0.00 0.04 0.00 0.00 34.50 31.04 1avm s PRO 156 CO 0.09 -0.46 -0.13 1.28 0.04 0.00 0.00 177.00 177.82 1avm n LEU 157 N 4.03 2.10 -3.72 -3.56 4.77 0.20 -4.91 117.00 115.90 1avm n LEU 157 Ca 0.12 0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 56.00 1avm n LEU 157 Cb 0.42 -0.41 -0.14 0.00 -2.33 0.00 0.00 43.42 40.96 1avm n LEU 157 CO 0.59 0.52 -0.17 -0.22 -1.33 0.00 0.00 177.39 176.78 1avm s LEU 158 N -6.14 0.43 0.05 2.23 2.96 -0.93 -4.55 118.68 112.72 1avm s LEU 158 Ca -0.17 0.43 0.04 0.00 -0.22 0.00 0.00 54.13 54.20 1avm s LEU 158 Cb 0.05 0.56 -0.02 0.00 0.50 0.00 0.00 46.19 47.28 1avm s LEU 158 CO 0.26 -0.17 -0.11 -1.10 -1.32 0.00 0.00 176.35 173.91 1avm s GLN 159 N 1.41 0.69 -0.12 1.98 -0.21 -1.26 -0.22 119.66 121.93 1avm s GLN 159 Ca -0.07 -0.78 -0.00 0.00 0.02 0.00 0.00 55.36 54.52 1avm s GLN 159 Cb -0.11 -0.60 0.03 0.00 1.00 0.00 0.00 33.01 33.33 1avm s GLN 159 CO -0.07 0.13 -0.08 -1.17 -2.12 0.00 0.00 175.29 171.98 1avm s LEU 160 N -1.43 1.25 -0.24 2.90 2.96 -0.37 -4.77 118.68 118.99 1avm s LEU 160 Ca -0.04 -0.34 -0.29 0.00 -0.22 0.00 0.00 54.13 53.23 1avm s LEU 160 Cb -0.09 -0.87 -0.01 0.00 0.50 0.00 0.00 46.19 45.72 1avm s LEU 160 CO 0.01 -0.12 1.36 -0.62 -1.32 0.00 0.00 176.35 175.66 1avm s ASP 161 N 1.69 6.70 -0.07 3.68 -1.08 -1.26 -2.03 116.67 124.29 1avm s ASP 161 Ca 0.05 1.45 0.16 0.00 -0.52 0.00 0.00 52.55 53.69 1avm s ASP 161 Cb -0.13 -2.54 0.54 0.00 -1.46 0.00 0.00 42.92 39.34 1avm s ASP 161 CO -0.08 -1.02 1.46 0.23 0.52 0.00 0.00 175.17 176.28 1avm n MET 162 N 7.17 3.17 -2.26 4.34 2.81 0.01 -4.85 117.12 127.51 1avm n MET 162 Ca 0.15 -2.57 -0.38 0.00 -1.81 0.00 0.00 57.70 53.09 1avm n MET 162 Cb 0.46 -1.63 -0.02 0.00 -0.71 0.00 0.00 33.22 31.32 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 -1.58 2.98 0.43 2.03 0.52 -1.21 -4.36 118.94 117.76 1avm s TRP 163 Ca 0.40 1.54 0.15 0.00 0.02 0.00 0.00 56.10 58.21 1avm s TRP 163 Cb 0.25 -3.41 1.06 0.00 -1.15 0.00 0.00 33.47 30.22 1avm s TRP 163 CO 0.21 -1.44 1.95 0.93 0.02 0.00 0.00 176.95 178.62 1avm h GLU 164 N 2.43 0.38 0.00 4.98 5.08 -1.94 -0.96 114.58 124.55 1avm h GLU 164 Ca -0.49 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1avm h GLU 164 Cb 1.24 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 1avm h GLU 164 CO 0.62 0.25 -0.01 1.12 -1.00 0.00 0.00 179.01 179.99 1avm h HIS 165 N 0.39 0.00 0.00 4.33 2.07 -1.98 0.91 115.15 120.88 1avm h HIS 165 Ca 0.32 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.84 1avm h HIS 165 Cb 0.73 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.71 1avm h HIS 165 CO -0.00 0.01 0.00 0.00 -3.07 0.00 0.00 177.93 174.87 1avm h ALA 166 N 1.99 1.00 0.00 6.11 0.00 -1.50 -3.40 119.26 123.46 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 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 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 -2.81 0.00 -0.26 0.00 1.16 -0.77 -4.97 117.46 109.81 1avm n PHE 167 Ca 0.03 0.00 0.05 0.00 -1.87 0.00 0.00 57.45 55.66 1avm n PHE 167 Cb 0.39 0.00 0.19 0.00 -1.61 0.00 0.00 39.48 38.45 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 0.48 0.00 2.97 3.20 -1.04 0.17 116.97 122.75 1avm h TYR 168 Ca 0.00 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1avm h TYR 168 Cb 0.00 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.17 1avm h TYR 168 CO 0.00 0.04 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.42 1avm h LEU 169 N 0.41 0.00 0.00 2.82 3.38 -1.86 -0.35 115.31 119.71 1avm h LEU 169 Ca 0.42 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 58.05 1avm h LEU 169 Cb 0.65 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.35 1avm h LEU 169 CO -0.42 0.06 -2.21 1.67 0.09 0.00 0.00 178.44 177.63 1avm n GLN 170 N -4.15 0.50 0.00 1.13 7.27 -0.76 -4.73 117.38 116.65 1avm n GLN 170 Ca -0.03 0.15 0.08 0.00 0.07 0.00 0.00 57.00 57.27 1avm n GLN 170 Cb 0.15 -1.37 0.02 0.00 2.41 0.00 0.00 30.24 31.45 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 -3.44 0.00 -0.41 3.69 4.01 0.54 -5.08 117.16 116.47 1avm n TYR 171 Ca -0.40 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.34 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 0.23 0.00 0.00 -0.72 4.01 -0.14 -2.01 118.16 119.53 1avm n LYS 172 Ca 0.07 0.00 0.14 0.00 -0.51 0.00 0.00 58.31 58.01 1avm n LYS 172 Cb 0.34 0.00 0.55 0.00 -0.51 0.00 0.00 35.03 35.41 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 3.97 0.12 -4.41 4.39 6.94 -1.26 -4.33 115.26 120.68 1avm n ASN 173 Ca 0.00 0.27 -0.43 0.00 -0.02 0.00 0.00 54.58 54.40 1avm n ASN 173 Cb 0.00 -0.31 0.00 0.00 -2.36 0.00 0.00 39.78 37.11 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 -1.47 3.88 -0.35 3.53 0.31 -0.85 -4.78 118.33 118.59 1avm n VAL 174 Ca 0.07 -3.95 0.06 0.00 -0.01 0.00 0.00 64.34 60.52 1avm n VAL 174 Cb 0.33 -2.40 0.24 0.00 -0.91 0.00 0.00 33.84 31.09 1avm n VAL 174 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1avm h LYS 175 N 7.24 0.99 -0.98 5.55 1.57 -1.84 -2.78 116.57 126.32 1avm h LYS 175 Ca 0.46 -0.06 0.12 0.00 -1.87 0.00 0.00 60.65 59.31 1avm h LYS 175 Cb 0.83 -0.22 -0.09 0.00 0.08 0.00 0.00 32.23 32.83 1avm h LYS 175 CO 1.53 0.65 0.60 0.78 -0.57 0.00 0.00 179.45 182.45 1avm h GLY 176 N 1.02 1.60 1.70 3.86 0.00 -1.96 -1.83 103.07 107.45 1avm h GLY 176 Ca 0.47 -0.40 -0.14 0.00 0.00 0.00 0.00 47.33 47.27 1avm h GLY 176 CO -0.23 0.13 -0.52 -0.55 0.00 0.00 0.00 176.54 175.37 1avm h ASP 177 N 0.94 0.35 -0.03 0.19 3.32 -1.89 -2.02 116.42 117.28 1avm h ASP 177 Ca 0.49 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 57.36 1avm h ASP 177 Cb 0.51 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 1avm h ASP 177 CO -0.28 0.81 0.01 0.22 -1.72 0.00 0.00 179.24 178.28 1avm h TYR 178 N 0.25 0.05 -0.65 4.55 3.20 -1.38 -1.55 116.97 121.45 1avm h TYR 178 Ca 0.01 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 1avm h TYR 178 Cb 1.00 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.22 1avm h TYR 178 CO 0.02 0.21 0.28 0.28 -1.64 0.00 0.00 178.16 177.32 1avm h VAL 179 N -0.12 1.23 -0.55 1.81 2.07 -1.34 -1.13 116.25 118.21 1avm h VAL 179 Ca 0.01 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 1avm h VAL 179 Cb 0.18 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1avm h VAL 179 CO -0.00 0.28 0.34 0.50 0.02 0.00 0.00 177.57 178.70 1avm h LYS 180 N 0.90 0.74 -0.14 1.57 3.64 -1.26 -2.69 116.57 119.33 1avm h LYS 180 Ca 0.22 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.41 1avm h LYS 180 Cb 0.17 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1avm h LYS 180 CO -0.02 0.53 -0.48 0.77 -2.27 0.00 0.00 179.45 177.97 1avm h SER 181 N 0.74 0.38 -0.60 4.20 0.02 -1.10 -3.21 113.55 113.97 1avm h SER 181 Ca 0.20 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1avm h SER 181 Cb -0.03 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 1avm h SER 181 CO -0.04 0.80 0.32 -0.25 -1.14 0.00 0.00 176.83 176.53 1avm h TRP 182 N 0.28 0.85 -0.27 3.45 7.01 -0.88 -2.62 115.95 123.77 1avm h TRP 182 Ca 0.01 -0.02 0.08 0.00 2.11 0.00 0.00 58.89 61.07 1avm h TRP 182 Cb 0.95 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 27.73 1avm h TRP 182 CO 0.02 0.60 0.23 -1.49 -2.79 0.00 0.00 178.44 175.02 1avm h TRP 183 N 0.87 0.00 0.00 2.65 4.06 -1.52 -1.70 115.95 120.31 1avm h TRP 183 Ca 0.22 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 61.13 1avm h TRP 183 Cb 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.20 1avm h TRP 183 CO 0.01 0.00 -0.18 -0.91 -3.56 0.00 0.00 178.44 173.80 1avm h ASN 184 N 0.00 0.00 -0.45 -3.49 4.21 -1.65 -3.13 115.58 111.07 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 0.18 0.00 1.33 -1.29 0.00 0.00 177.43 177.65 1avm n VAL 185 N -3.48 1.08 -2.11 2.81 0.24 -0.64 -4.51 118.33 111.72 1avm n VAL 185 Ca -0.01 -1.04 -0.42 0.00 -2.04 0.00 0.00 64.34 60.83 1avm n VAL 185 Cb 0.35 0.46 -0.03 0.00 -1.47 0.00 0.00 33.84 33.14 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 -1.10 3.18 -0.92 3.34 1.01 -1.19 -0.83 120.40 123.89 1avm s VAL 186 Ca 0.31 0.82 -0.17 0.00 0.00 0.00 0.00 61.98 62.95 1avm s VAL 186 Cb 0.17 -3.53 0.16 0.00 0.00 0.00 0.00 36.38 33.18 1avm s VAL 186 CO 0.20 0.06 1.05 0.21 0.00 0.00 0.00 175.10 176.62 1avm s ASN 187 N 1.24 6.70 0.61 3.32 2.47 0.11 -4.76 114.94 124.63 1avm s ASN 187 Ca 0.66 -2.29 0.40 0.00 0.42 0.00 0.00 52.86 52.06 1avm s ASN 187 Cb -0.38 -2.35 2.09 0.00 -1.45 0.00 0.00 41.25 39.16 1avm s ASN 187 CO 0.30 -0.91 2.23 -0.50 -3.72 0.00 0.00 177.10 174.51 1avm h TRP 188 N 8.43 0.00 -0.23 0.43 4.06 -1.85 -1.62 115.95 125.17 1avm h TRP 188 Ca 0.15 0.00 -0.17 0.00 2.06 0.00 0.00 58.89 60.94 1avm h TRP 188 Cb 1.02 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.17 1avm h TRP 188 CO 1.12 0.00 -0.53 -0.44 -3.56 0.00 0.00 178.44 175.03 1avm h ASP 189 N 0.00 0.76 -0.33 -3.49 3.32 -1.91 -0.37 116.42 114.40 1avm h ASP 189 Ca 0.00 -0.40 -0.11 0.00 0.02 0.00 0.00 57.03 56.54 1avm h ASP 189 Cb 0.13 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1avm h ASP 189 CO 0.00 1.15 -0.23 -0.78 -1.72 0.00 0.00 179.24 177.65 1avm h ASP 190 N 0.53 0.78 -0.73 6.45 3.58 -1.60 -2.05 116.42 123.39 1avm h ASP 190 Ca 0.01 -0.44 -0.05 0.00 0.42 0.00 0.00 57.03 56.98 1avm h ASP 190 Cb 1.10 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.90 1avm h ASP 190 CO 0.11 1.05 0.25 0.58 -2.88 0.00 0.00 179.24 178.35 1avm h VAL 191 N 0.51 1.26 -0.67 2.25 2.07 -1.38 -1.67 116.25 118.62 1avm h VAL 191 Ca 0.07 -0.86 -0.07 0.00 0.82 0.00 0.00 66.70 66.65 1avm h VAL 191 Cb 0.79 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 1avm h VAL 191 CO 0.06 0.34 0.13 0.00 0.02 0.00 0.00 177.57 178.12 1avm h ALA 192 N 1.18 0.96 -0.51 1.67 0.00 -0.96 -1.30 119.26 120.30 1avm h ALA 192 Ca 0.24 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1avm h ALA 192 Cb 0.27 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1avm h ALA 192 CO -0.01 0.66 0.12 1.25 0.00 0.00 0.00 179.25 181.27 1avm h LEU 193 N 1.03 0.77 -0.92 0.00 5.85 -1.02 -1.39 115.31 119.63 1avm h LEU 193 Ca 0.21 -0.23 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 1avm h LEU 193 Cb 0.41 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1avm h LEU 193 CO 0.01 0.81 -0.07 0.03 -0.34 0.00 0.00 178.44 178.88 1avm h ARG 194 N 0.71 0.72 -0.25 1.25 3.08 -1.05 -2.19 114.38 116.65 1avm h ARG 194 Ca 0.16 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 1avm h ARG 194 Cb 0.33 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1avm h ARG 194 CO 0.00 0.78 0.03 0.35 -1.07 0.00 0.00 179.97 180.06 1avm h PHE 195 N 0.66 0.45 -0.48 3.04 3.57 -0.99 -0.65 116.94 122.55 1avm h PHE 195 Ca 0.12 -0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.57 1avm h PHE 195 Cb 0.51 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 1avm h PHE 195 CO 0.02 0.55 0.30 0.77 -2.23 0.00 0.00 178.31 177.72 1avm h SER 196 N 0.22 0.49 0.58 0.41 0.02 -1.07 -0.55 113.55 113.65 1avm h SER 196 Ca 0.07 -0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.87 1avm h SER 196 Cb 0.35 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 1avm h SER 196 CO 0.01 0.35 -0.68 -0.33 -1.14 0.00 0.00 176.83 175.03 1avm h GLU 197 N 0.59 0.09 -0.03 3.45 5.08 -1.36 -3.18 114.58 119.22 1avm h GLU 197 Ca 0.19 -0.07 -0.24 0.00 -1.00 0.00 0.00 59.36 58.24 1avm h GLU 197 Cb -0.01 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1avm h GLU 197 CO -0.07 0.74 -0.94 0.00 -1.00 0.00 0.00 179.01 177.74 1avm h ALA 198 N 1.24 0.28 0.00 3.43 0.00 -0.85 -3.12 119.26 120.24 1avm h ALA 198 Ca -0.01 -0.68 -0.05 0.00 0.00 0.00 0.00 54.91 54.17 1avm h ALA 198 Cb 1.21 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1avm h ALA 198 CO 0.10 0.74 -0.24 -0.09 0.00 0.00 0.00 179.25 179.75 1avm h ARG 199 N 0.36 0.00 -0.11 0.00 2.43 -1.14 -1.49 114.38 114.43 1avm h ARG 199 Ca -0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1avm h ARG 199 Cb 1.57 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.12 1avm h ARG 199 CO 0.18 0.24 0.00 1.33 -1.51 0.00 0.00 179.97 180.21 1avm n VAL 200 N -4.25 0.13 -0.59 0.20 0.24 -1.20 -5.11 118.33 107.75 1avm n VAL 200 Ca -0.02 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 1avm n VAL 200 Cb 0.30 0.59 0.00 0.00 -1.47 0.00 0.00 33.84 33.26 1avm n VAL 200 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69