#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x92 h MET 3 N 0.00 0.64 -0.56 -0.67 2.86 -2.05 -1.11 114.93 114.04 1x92 h MET 3 Ca 0.00 -0.29 -0.05 0.00 -2.06 0.00 0.00 59.70 57.31 1x92 h MET 3 Cb 0.00 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 1x92 h MET 3 CO 0.00 0.87 0.16 1.96 1.06 0.00 0.00 176.91 180.96 1x92 h GLN 4 N 0.54 0.85 -0.29 1.72 1.08 -2.05 -0.83 115.11 116.14 1x92 h GLN 4 Ca 0.06 -0.16 -0.17 0.00 -1.45 0.00 0.00 58.65 56.93 1x92 h GLN 4 Cb 0.81 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 28.11 1x92 h GLN 4 CO 0.07 0.75 -0.49 1.25 -0.95 0.00 0.00 178.83 179.46 1x92 h HIS 5 N 0.82 0.96 -0.61 2.96 2.76 -1.91 -1.55 115.15 118.59 1x92 h HIS 5 Ca 0.18 -0.32 -0.08 0.00 -2.20 0.00 0.00 60.37 57.95 1x92 h HIS 5 Cb 0.26 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.01 1x92 h HIS 5 CO 0.02 1.11 0.05 -0.09 -1.30 0.00 0.00 177.93 177.72 1x92 h ARG 6 N 0.62 1.02 -0.24 5.26 9.65 -0.73 -0.17 114.38 129.79 1x92 h ARG 6 Ca 0.03 -0.29 -0.04 0.00 -1.10 0.00 0.00 59.98 58.59 1x92 h ARG 6 Cb 1.06 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.52 1x92 h ARG 6 CO 0.11 0.97 -0.00 0.82 2.80 0.00 0.00 179.97 184.66 1x92 h ILE 7 N 0.95 1.26 -0.84 1.20 2.04 -1.00 -1.22 117.51 119.89 1x92 h ILE 7 Ca 0.18 -0.90 0.01 0.00 1.00 0.00 0.00 64.86 65.15 1x92 h ILE 7 Cb 0.48 1.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.89 1x92 h ILE 7 CO 0.02 0.28 0.56 0.03 0.00 0.00 0.00 178.15 179.04 1x92 h ARG 8 N 0.19 1.11 -0.99 2.37 3.08 -1.01 0.10 114.38 119.23 1x92 h ARG 8 Ca 0.07 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.05 1x92 h ARG 8 Cb 0.41 -0.25 -0.05 0.00 0.08 0.00 0.00 29.97 30.16 1x92 h ARG 8 CO 0.01 0.74 0.64 0.37 -1.07 0.00 0.00 179.97 180.66 1x92 h GLN 9 N 1.15 1.31 -0.16 0.04 4.15 -0.75 0.23 115.11 121.07 1x92 h GLN 9 Ca 0.31 -0.09 -0.04 0.00 0.77 0.00 0.00 58.65 59.60 1x92 h GLN 9 Cb -0.13 -0.29 -0.00 0.00 0.21 0.00 0.00 27.48 27.26 1x92 h GLN 9 CO -0.07 0.88 -0.06 -0.07 -1.93 0.00 0.00 178.83 177.58 1x92 h LEU 10 N 1.35 0.33 -0.73 -2.39 3.38 0.02 0.07 115.31 117.34 1x92 h LEU 10 Ca 0.36 -0.39 0.04 0.00 0.09 0.00 0.00 57.88 57.98 1x92 h LEU 10 Cb -0.14 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 1x92 h LEU 10 CO -0.08 0.65 0.45 -0.26 0.09 0.00 0.00 178.44 179.29 1x92 h PHE 11 N 0.02 0.84 -0.44 1.13 -1.00 -0.38 0.04 116.94 117.15 1x92 h PHE 11 Ca 0.04 0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.80 1x92 h PHE 11 Cb 0.51 -0.28 -0.02 0.00 3.61 0.00 0.00 35.95 39.78 1x92 h PHE 11 CO 0.06 0.47 0.10 0.37 -1.61 0.00 0.00 178.31 177.70 1x92 h GLN 12 N 0.87 0.70 -0.28 1.51 5.75 -0.46 0.19 115.11 123.39 1x92 h GLN 12 Ca 0.30 -0.17 -0.06 0.00 -0.15 0.00 0.00 58.65 58.56 1x92 h GLN 12 Cb 0.05 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.49 1x92 h GLN 12 CO -0.12 0.71 -0.09 0.00 -2.65 0.00 0.00 178.83 176.67 1x92 h ALA 13 N 0.96 1.31 -0.22 3.38 0.00 -0.50 0.16 119.26 124.36 1x92 h ALA 13 Ca 0.14 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1x92 h ALA 13 Cb 0.32 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1x92 h ALA 13 CO 0.00 0.46 -0.31 1.03 0.00 0.00 0.00 179.25 180.44 1x92 h SER 14 N 0.44 0.66 -0.56 0.00 0.87 -0.54 -0.93 113.55 113.48 1x92 h SER 14 Ca 0.09 -0.51 -0.00 0.00 -1.23 0.00 0.00 61.79 60.13 1x92 h SER 14 Cb 0.43 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 1x92 h SER 14 CO 0.02 1.04 0.34 0.40 -0.53 0.00 0.00 176.83 178.10 1x92 h ILE 15 N 0.29 1.17 -0.75 2.23 2.04 -0.05 -1.80 117.51 120.64 1x92 h ILE 15 Ca 0.02 -0.37 -0.06 0.00 1.00 0.00 0.00 64.86 65.46 1x92 h ILE 15 Cb 0.88 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1x92 h ILE 15 CO 0.07 0.17 0.25 -0.33 0.00 0.00 0.00 178.15 178.31 1x92 h GLU 16 N 0.75 1.16 -0.47 2.37 5.08 -0.61 -1.47 114.58 121.40 1x92 h GLU 16 Ca 0.20 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1x92 h GLU 16 Cb -0.02 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1x92 h GLU 16 CO -0.04 0.98 0.04 1.15 -1.00 0.00 0.00 179.01 180.14 1x92 h THR 17 N 1.12 1.23 -0.46 1.13 2.02 -0.78 0.02 112.91 117.19 1x92 h THR 17 Ca 0.24 -0.89 -0.11 0.00 0.77 0.00 0.00 66.41 66.42 1x92 h THR 17 Cb 0.29 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 1x92 h THR 17 CO -0.01 0.32 -0.15 0.11 0.37 0.00 0.00 175.52 176.16 1x92 h LYS 18 N 0.71 0.87 -0.46 6.66 1.57 -0.90 -0.59 116.57 124.44 1x92 h LYS 18 Ca 0.15 -0.33 -0.11 0.00 -1.87 0.00 0.00 60.65 58.49 1x92 h LYS 18 Cb 0.37 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1x92 h LYS 18 CO 0.01 0.96 -0.15 1.96 -0.57 0.00 0.00 179.45 181.67 1x92 h GLN 19 N 0.77 0.86 -0.27 3.15 4.20 -0.82 0.15 115.11 123.15 1x92 h GLN 19 Ca 0.12 -0.32 -0.13 0.00 0.06 0.00 0.00 58.65 58.38 1x92 h GLN 19 Cb 0.68 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1x92 h GLN 19 CO 0.05 0.95 -0.38 1.96 -0.67 0.00 0.00 178.83 180.74 1x92 h GLN 20 N 0.76 0.62 -0.08 1.46 4.20 -0.74 -2.79 115.11 118.55 1x92 h GLN 20 Ca 0.12 -0.31 -0.11 0.00 0.06 0.00 0.00 58.65 58.41 1x92 h GLN 20 Cb 0.67 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 1x92 h GLN 20 CO 0.05 0.90 -0.46 0.00 -0.67 0.00 0.00 178.83 178.65 1x92 h ALA 21 N 1.06 1.07 0.00 3.87 0.00 -0.68 -2.19 119.26 122.39 1x92 h ALA 21 Ca 0.05 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1x92 h ALA 21 Cb 0.89 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1x92 h ALA 21 CO 0.08 0.62 -0.04 1.25 0.00 0.00 0.00 179.25 181.15 1x92 h LEU 22 N 0.16 0.00 -0.16 0.00 5.85 -0.44 0.16 115.31 120.88 1x92 h LEU 22 Ca 0.01 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 1x92 h LEU 22 Cb 0.88 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 1x92 h LEU 22 CO 0.07 0.04 -0.45 -0.33 -0.34 0.00 0.00 178.44 177.44 1x92 h GLU 23 N 0.00 0.00 0.00 1.25 4.39 -1.30 -3.40 114.58 115.52 1x92 h GLU 23 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1x92 h GLU 23 Cb 0.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1x92 h GLU 23 CO 0.01 0.45 -0.79 1.33 -1.16 0.00 0.00 179.01 178.84 1x92 n VAL 24 N -3.25 0.00 0.12 3.13 0.24 -0.83 -4.88 118.33 112.86 1x92 n VAL 24 Ca 0.02 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.09 1x92 n VAL 24 Cb 0.68 0.40 -0.14 0.00 -1.47 0.00 0.00 33.84 33.31 1x92 n VAL 24 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1x92 h LEU 25 N 0.00 0.86 -0.72 1.34 3.38 -1.20 -3.40 115.31 115.58 1x92 h LEU 25 Ca 0.00 -0.85 0.18 0.00 0.09 0.00 0.00 57.88 57.30 1x92 h LEU 25 Cb 0.00 -0.28 -0.13 0.00 0.09 0.00 0.00 40.66 40.34 1x92 h LEU 25 CO 0.00 1.65 -0.05 -2.65 0.09 0.00 0.00 178.44 177.48 1x92 n PRO 26 N -3.76 -0.06 -0.01 1.13 -0.02 -1.26 -0.03 135.00 131.00 1x92 n PRO 26 Ca -0.15 1.09 -0.02 0.00 -2.02 0.00 0.00 63.50 62.40 1x92 n PRO 26 Cb 1.04 -1.70 0.23 0.00 -0.02 0.00 0.00 33.50 33.04 1x92 n PRO 26 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1x92 h PRO 27 N 0.00 0.53 0.07 0.52 0.11 -1.96 -0.32 132.00 130.94 1x92 h PRO 27 Ca 0.41 -0.16 -0.26 0.00 0.11 0.00 0.00 66.00 66.10 1x92 h PRO 27 Cb 0.78 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 31.85 1x92 h PRO 27 CO -0.70 0.66 -1.10 1.88 -0.21 0.00 0.00 178.00 178.54 1x92 h TYR 28 N 0.49 0.67 -0.67 0.65 0.05 -0.70 -1.20 116.97 116.27 1x92 h TYR 28 Ca 0.09 -0.41 -0.04 0.00 0.05 0.00 0.00 58.73 58.42 1x92 h TYR 28 Cb 0.53 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 38.18 1x92 h TYR 28 CO 0.02 1.27 0.28 0.82 -1.05 0.00 0.00 178.16 179.49 1x92 h ILE 29 N 0.20 1.24 -0.27 -2.88 2.04 -0.91 0.98 117.51 117.90 1x92 h ILE 29 Ca -0.12 -0.73 -0.06 0.00 1.00 0.00 0.00 64.86 64.95 1x92 h ILE 29 Cb 1.77 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 1x92 h ILE 29 CO 0.19 0.29 -0.05 -0.08 0.00 0.00 0.00 178.15 178.50 1x92 h GLU 30 N 0.94 0.50 -0.74 2.37 4.81 -1.02 -0.84 114.58 120.60 1x92 h GLU 30 Ca 0.22 -0.19 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1x92 h GLU 30 Cb 0.19 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 1x92 h GLU 30 CO -0.02 0.71 0.49 0.37 -0.73 0.00 0.00 179.01 179.83 1x92 h GLN 31 N 0.26 0.98 -0.73 1.92 5.75 -0.85 -1.58 115.11 120.85 1x92 h GLN 31 Ca 0.07 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.46 1x92 h GLN 31 Cb 0.52 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 28.82 1x92 h GLN 31 CO 0.02 0.65 0.28 0.00 -2.65 0.00 0.00 178.83 177.13 1x92 h ALA 32 N 1.27 0.96 -0.45 3.38 0.00 -0.63 -0.90 119.26 122.89 1x92 h ALA 32 Ca 0.27 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1x92 h ALA 32 Cb -0.12 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 1x92 h ALA 32 CO -0.06 0.59 0.02 0.66 0.00 0.00 0.00 179.25 180.46 1x92 h SER 33 N 1.06 0.69 -0.59 0.00 4.64 -0.57 -1.07 113.55 117.71 1x92 h SER 33 Ca 0.24 -0.15 -0.08 0.00 -0.47 0.00 0.00 61.79 61.33 1x92 h SER 33 Cb 0.23 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 1x92 h SER 33 CO -0.02 0.75 0.05 -0.07 -0.87 0.00 0.00 176.83 176.66 1x92 h LEU 34 N 0.69 0.99 -0.63 5.97 3.38 -0.95 0.23 115.31 124.99 1x92 h LEU 34 Ca 0.14 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1x92 h LEU 34 Cb 0.39 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1x92 h LEU 34 CO 0.01 1.03 0.30 0.58 0.09 0.00 0.00 178.44 180.46 1x92 h VAL 35 N 0.92 1.22 -0.36 1.22 2.07 -0.74 -0.34 116.25 120.23 1x92 h VAL 35 Ca 0.17 -0.61 -0.14 0.00 0.82 0.00 0.00 66.70 66.94 1x92 h VAL 35 Cb 0.49 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1x92 h VAL 35 CO 0.02 0.25 -0.34 0.24 0.02 0.00 0.00 177.57 177.76 1x92 h MET 36 N 0.86 0.87 -0.38 1.57 2.86 -0.88 -2.49 114.93 117.35 1x92 h MET 36 Ca 0.22 -0.45 -0.03 0.00 -2.06 0.00 0.00 59.70 57.37 1x92 h MET 36 Cb 0.12 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 1x92 h MET 36 CO -0.03 1.10 0.11 0.28 1.06 0.00 0.00 176.91 179.43 1x92 h VAL 37 N 0.67 1.22 -0.61 -2.22 2.07 -0.28 -1.44 116.25 115.65 1x92 h VAL 37 Ca 0.06 -0.73 0.02 0.00 0.82 0.00 0.00 66.70 66.87 1x92 h VAL 37 Cb 0.93 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 1x92 h VAL 37 CO 0.09 0.25 0.40 -1.13 0.02 0.00 0.00 177.57 177.20 1x92 h ASN 38 N 0.46 0.66 -0.29 0.57 -0.73 -1.07 0.11 115.58 115.29 1x92 h ASN 38 Ca 0.12 -0.01 -0.15 0.00 1.87 0.00 0.00 56.30 58.13 1x92 h ASN 38 Cb 0.28 -0.16 -0.00 0.00 0.27 0.00 0.00 38.32 38.71 1x92 h ASN 38 CO -0.00 0.47 -0.41 0.00 -0.37 0.00 0.00 177.43 177.11 1x92 h ALA 39 N 1.63 0.44 -0.09 1.57 0.00 -1.13 -2.81 119.26 118.87 1x92 h ALA 39 Ca 0.23 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1x92 h ALA 39 Cb -0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1x92 h ALA 39 CO -0.06 0.56 -0.27 -0.07 0.00 0.00 0.00 179.25 179.41 1x92 h LEU 40 N 0.55 0.16 -0.53 0.00 3.38 -0.17 0.41 115.31 119.12 1x92 h LEU 40 Ca 0.03 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1x92 h LEU 40 Cb 1.01 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1x92 h LEU 40 CO 0.10 0.44 0.00 -0.07 0.09 0.00 0.00 178.44 179.00 1x92 h LEU 41 N 0.15 0.00 -3.77 1.67 3.38 -0.69 -3.12 115.31 112.94 1x92 h LEU 41 Ca 0.02 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.46 1x92 h LEU 41 Cb 0.57 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 40.98 1x92 h LEU 41 CO 0.04 0.00 -0.19 0.59 0.09 0.00 0.00 178.44 178.97 1x92 n ASN 42 N -2.33 5.41 -0.76 -0.43 3.02 -0.60 -4.92 115.26 114.64 1x92 n ASN 42 Ca 0.03 -3.77 -0.10 0.00 -0.03 0.00 0.00 54.58 50.71 1x92 n ASN 42 Cb 0.30 -0.58 -0.04 0.00 -0.61 0.00 0.00 39.78 38.85 1x92 n ASN 42 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1x92 n GLU 43 N -0.84 -1.39 -2.34 3.52 -0.58 -1.18 -4.99 120.64 112.85 1x92 n GLU 43 Ca 0.48 0.81 -0.25 0.00 -0.42 0.00 0.00 57.16 57.79 1x92 n GLU 43 Cb 0.89 -5.05 0.06 0.00 -0.57 0.00 0.00 31.44 26.77 1x92 n GLU 43 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1x92 s GLY 44 N -2.47 1.71 0.28 0.62 0.00 0.04 -5.03 107.32 102.47 1x92 s GLY 44 Ca 0.00 -1.01 0.02 0.00 0.00 0.00 0.00 44.72 43.74 1x92 s GLY 44 CO 0.00 -0.65 0.07 -1.59 0.00 0.00 0.00 173.10 170.93 1x92 s LYS 45 N -5.09 1.48 -0.09 2.90 -2.85 -1.26 -4.38 119.74 110.44 1x92 s LYS 45 Ca 0.59 -1.80 0.05 0.00 -1.00 0.00 0.00 55.97 53.80 1x92 s LYS 45 Cb -0.11 -0.53 -0.00 0.00 -2.06 0.00 0.00 37.83 35.14 1x92 s LYS 45 CO 0.43 -0.22 -0.24 0.42 0.10 0.00 0.00 175.35 175.83 1x92 s ILE 46 N -3.54 2.06 -0.08 3.79 1.01 -0.62 -1.80 121.20 122.02 1x92 s ILE 46 Ca 0.36 -1.03 -0.00 0.00 0.00 0.00 0.00 60.65 59.97 1x92 s ILE 46 Cb 0.08 -1.77 -0.03 0.00 0.01 0.00 0.00 42.46 40.75 1x92 s ILE 46 CO 0.13 0.56 -0.05 -0.76 0.00 0.00 0.00 174.94 174.83 1x92 s LEU 47 N 0.20 3.30 0.06 2.97 1.43 0.11 -0.22 118.68 126.52 1x92 s LEU 47 Ca -0.15 0.02 0.07 0.00 -1.03 0.00 0.00 54.13 53.04 1x92 s LEU 47 Cb -0.17 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 1x92 s LEU 47 CO 0.08 0.36 -0.19 -0.94 0.23 0.00 0.00 176.35 175.88 1x92 s SER 48 N -0.77 2.31 0.16 2.29 1.04 -0.56 0.10 113.70 118.27 1x92 s SER 48 Ca 0.12 -0.55 -0.10 0.00 0.48 0.00 0.00 55.95 55.90 1x92 s SER 48 Cb -0.11 -0.17 -0.00 0.00 0.10 0.00 0.00 66.02 65.84 1x92 s SER 48 CO 0.02 0.11 0.31 0.00 0.98 0.00 0.00 173.24 174.65 1x92 n GLY 50 N -0.21 0.54 3.47 0.00 0.00 -1.26 -1.98 105.19 105.75 1x92 n GLY 50 Ca -0.09 -0.99 -0.28 0.00 0.00 0.00 0.00 46.02 44.66 1x92 n GLY 50 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x92 s ASN 51 N 0.00 3.75 1.48 1.61 -0.87 -1.26 -3.75 114.94 115.89 1x92 s ASN 51 Ca 0.00 -0.69 0.00 0.00 -1.57 0.00 0.00 52.86 50.60 1x92 s ASN 51 Cb 0.00 -0.45 0.00 0.00 -0.02 0.00 0.00 41.25 40.78 1x92 s ASN 51 CO 0.00 0.14 0.00 0.61 -2.57 0.00 0.00 177.10 175.28 1x92 n GLY 52 N 0.49 3.43 0.35 0.66 0.00 -1.26 0.06 105.19 108.92 1x92 n GLY 52 Ca -0.14 -0.02 0.18 0.00 0.00 0.00 0.00 46.02 46.04 1x92 n GLY 52 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1x92 h GLY 53 N 0.00 0.00 2.00 -0.02 0.00 -1.99 0.41 103.07 103.47 1x92 h GLY 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1x92 h GLY 53 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 176.54 178.30 1x92 h SER 54 N 0.00 0.00 0.31 0.19 0.02 -0.71 -1.07 113.55 112.29 1x92 h SER 54 Ca 0.14 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.86 1x92 h SER 54 Cb 0.72 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.26 1x92 h SER 54 CO -0.00 0.00 -0.99 0.00 -1.14 0.00 0.00 176.83 174.70 1x92 h ALA 55 N 2.02 0.30 -0.48 3.77 0.00 -0.07 -1.59 119.26 123.22 1x92 h ALA 55 Ca 0.00 -0.72 -0.03 0.00 0.00 0.00 0.00 54.91 54.16 1x92 h ALA 55 Cb 0.90 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1x92 h ALA 55 CO 0.00 0.81 0.19 0.78 0.00 0.00 0.00 179.25 181.02 1x92 h GLY 56 N 1.13 0.73 1.48 0.00 0.00 -0.92 -1.61 103.07 103.87 1x92 h GLY 56 Ca -0.09 -0.36 -0.17 0.00 0.00 0.00 0.00 47.33 46.71 1x92 h GLY 56 CO 0.17 0.34 -0.61 -0.55 0.00 0.00 0.00 176.54 175.89 1x92 h ASP 57 N 0.68 0.61 -0.33 0.19 3.32 -1.05 -1.11 116.42 118.72 1x92 h ASP 57 Ca 0.16 -0.35 0.02 0.00 0.02 0.00 0.00 57.03 56.89 1x92 h ASP 57 Cb 0.14 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 1x92 h ASP 57 CO -0.02 1.07 0.17 0.00 -1.72 0.00 0.00 179.24 178.75 1x92 h ALA 58 N 0.93 0.41 0.00 3.45 0.00 -0.52 -0.41 119.26 123.12 1x92 h ALA 58 Ca -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1x92 h ALA 58 Cb 1.17 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1x92 h ALA 58 CO 0.11 -0.20 -0.03 -0.56 0.00 0.00 0.00 179.25 178.58 1x92 h GLN 59 N 0.36 0.00 -0.39 0.00 3.07 -1.28 -2.15 115.11 114.72 1x92 h GLN 59 Ca 0.14 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.83 1x92 h GLN 59 Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.58 1x92 h GLN 59 CO -0.09 0.03 0.05 1.25 0.09 0.00 0.00 178.83 180.16 1x92 h HIS 60 N 0.00 0.70 -0.29 0.06 2.76 -0.47 -1.47 115.15 116.44 1x92 h HIS 60 Ca -0.00 -0.10 -0.05 0.00 -2.20 0.00 0.00 60.37 58.02 1x92 h HIS 60 Cb 1.00 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.76 1x92 h HIS 60 CO 0.00 0.70 -0.02 0.35 -1.30 0.00 0.00 177.93 177.66 1x92 h PHE 61 N 0.49 0.58 -0.53 5.26 3.57 -0.99 -1.67 116.94 123.64 1x92 h PHE 61 Ca 0.12 -0.11 -0.07 0.00 3.53 0.00 0.00 57.97 61.44 1x92 h PHE 61 Cb 0.39 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1x92 h PHE 61 CO 0.03 0.68 0.07 0.66 -2.23 0.00 0.00 178.31 177.51 1x92 h SER 62 N 0.31 0.81 -0.01 0.41 4.64 -1.28 -2.57 113.55 115.86 1x92 h SER 62 Ca 0.08 -0.18 -0.12 0.00 -0.47 0.00 0.00 61.79 61.10 1x92 h SER 62 Cb 0.46 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1x92 h SER 62 CO 0.02 0.84 -0.37 0.77 -0.87 0.00 0.00 176.83 177.22 1x92 h SER 63 N 0.81 0.53 -0.47 4.97 4.64 -1.07 -0.02 113.55 122.93 1x92 h SER 63 Ca 0.17 -0.22 -0.05 0.00 -0.47 0.00 0.00 61.79 61.22 1x92 h SER 63 Cb 0.39 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 1x92 h SER 63 CO 0.01 0.85 0.14 -0.33 -0.87 0.00 0.00 176.83 176.63 1x92 h GLU 64 N 0.42 0.80 0.13 4.77 4.39 -1.04 0.10 114.58 124.16 1x92 h GLU 64 Ca 0.04 -0.16 -0.17 0.00 0.34 0.00 0.00 59.36 59.41 1x92 h GLU 64 Cb 0.84 -0.12 0.02 0.00 -0.10 0.00 0.00 28.75 29.38 1x92 h GLU 64 CO 0.07 0.72 -0.76 -0.07 -1.16 0.00 0.00 179.01 177.81 1x92 h LEU 65 N 0.78 0.45 -1.13 1.33 3.38 -1.17 -1.58 115.31 117.37 1x92 h LEU 65 Ca 0.17 -0.95 -0.09 0.00 0.09 0.00 0.00 57.88 57.11 1x92 h LEU 65 Cb 0.27 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1x92 h LEU 65 CO -0.00 1.36 -0.42 -0.07 0.09 0.00 0.00 178.44 179.40 1x92 h LEU 66 N -0.40 0.00 0.00 1.67 3.38 -0.89 0.36 115.31 119.44 1x92 h LEU 66 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1x92 h LEU 66 Cb 1.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.34 1x92 h LEU 66 CO 0.14 0.42 0.00 -3.20 0.09 0.00 0.00 178.44 175.89 1x92 n ASN 67 N -3.93 0.00 -3.60 -0.43 5.15 0.35 -4.54 115.26 108.26 1x92 n ASN 67 Ca -0.02 0.00 -0.05 0.00 -0.60 0.00 0.00 54.58 53.92 1x92 n ASN 67 Cb 0.46 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.68 1x92 n ASN 67 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1x92 s ARG 68 N 0.00 0.30 -0.02 1.20 1.70 -0.62 -4.54 118.95 116.97 1x92 s ARG 68 Ca 0.00 -0.05 -0.02 0.00 -0.47 0.00 0.00 55.73 55.19 1x92 s ARG 68 Cb 0.00 0.14 -0.01 0.00 -0.57 0.00 0.00 34.95 34.51 1x92 s ARG 68 CO 0.00 -0.12 -0.04 0.34 -1.08 0.00 0.00 175.30 174.40 1x92 n PHE 69 N 0.15 0.04 0.00 5.89 7.35 -1.06 -4.44 117.46 125.39 1x92 n PHE 69 Ca -0.01 0.02 0.00 0.00 -0.76 0.00 0.00 57.45 56.70 1x92 n PHE 69 Cb 0.58 -0.14 0.00 0.00 0.35 0.00 0.00 39.48 40.27 1x92 n PHE 69 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1x92 n GLU 70 N -2.70 0.00 -1.62 -4.13 1.02 -1.26 -5.08 120.64 106.87 1x92 n GLU 70 Ca -0.02 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.79 1x92 n GLU 70 Cb 0.06 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 31.55 1x92 n GLU 70 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1x92 s ARG 71 N -0.46 2.48 -0.03 3.49 1.70 -1.26 -4.96 118.95 119.91 1x92 s ARG 71 Ca 0.00 1.61 -0.30 0.00 -0.47 0.00 0.00 55.73 56.57 1x92 s ARG 71 Cb 0.00 -1.89 -0.03 0.00 -0.57 0.00 0.00 34.95 32.46 1x92 s ARG 71 CO 0.00 -1.54 1.13 -1.21 -1.08 0.00 0.00 175.30 172.60 1x92 s GLU 72 N -3.93 4.41 0.33 3.89 0.41 -1.26 -4.96 118.70 117.59 1x92 s GLU 72 Ca 0.71 1.60 -0.18 0.00 -0.41 0.00 0.00 54.97 56.69 1x92 s GLU 72 Cb -0.25 -3.49 0.04 0.00 -1.78 0.00 0.00 34.13 28.64 1x92 s GLU 72 CO 0.42 -0.32 0.75 -0.98 -0.49 0.00 0.00 175.26 174.64 1x92 s ARG 73 N 1.74 1.99 0.62 1.61 1.04 -1.26 -5.15 118.95 119.55 1x92 s ARG 73 Ca 0.54 -1.21 -0.17 0.00 -1.04 0.00 0.00 55.73 53.85 1x92 s ARG 73 Cb -0.24 0.61 -0.02 0.00 -2.04 0.00 0.00 34.95 33.27 1x92 s ARG 73 CO 0.24 -0.92 1.18 -1.25 -0.04 0.00 0.00 175.30 174.51 1x92 s PRO 74 N -3.18 2.83 0.46 3.89 0.04 -1.26 -4.95 135.00 132.84 1x92 s PRO 74 Ca 0.13 1.71 -0.25 0.00 0.04 0.00 0.00 61.00 62.63 1x92 s PRO 74 Cb -0.05 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.48 1x92 s PRO 74 CO 0.09 -1.29 1.42 0.43 0.04 0.00 0.00 177.00 177.69 1x92 n SER 75 N -1.91 3.24 -4.50 6.66 7.64 -1.26 -5.00 113.62 118.49 1x92 n SER 75 Ca 0.13 1.11 -0.30 0.00 1.01 0.00 0.00 58.87 60.81 1x92 n SER 75 Cb 0.50 -1.60 -0.12 0.00 -1.01 0.00 0.00 64.21 61.99 1x92 n SER 75 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1x92 s LEU 76 N -2.69 2.76 -0.50 -3.43 1.43 0.13 -4.95 118.68 111.43 1x92 s LEU 76 Ca 0.62 -0.43 -0.28 0.00 -1.03 0.00 0.00 54.13 53.02 1x92 s LEU 76 Cb -0.45 -1.61 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 1x92 s LEU 76 CO 0.57 0.23 1.66 -2.16 0.23 0.00 0.00 176.35 176.88 1x92 s PRO 77 N -1.74 3.13 -0.00 1.29 0.04 -1.26 -3.07 135.00 133.38 1x92 s PRO 77 Ca 0.17 0.83 -0.02 0.00 0.04 0.00 0.00 61.00 62.02 1x92 s PRO 77 Cb -0.11 -4.22 -0.00 0.00 0.04 0.00 0.00 34.50 30.21 1x92 s PRO 77 CO 0.08 -2.12 0.04 0.00 0.04 0.00 0.00 177.00 175.04 1x92 s ALA 78 N 7.17 -0.09 -0.06 8.56 0.00 -1.26 -1.58 121.76 134.50 1x92 s ALA 78 Ca 0.66 -0.13 -0.00 0.00 0.00 0.00 0.00 51.96 52.48 1x92 s ALA 78 Cb -0.15 0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.02 1x92 s ALA 78 CO 0.27 -0.10 -0.02 0.08 0.00 0.00 0.00 175.76 175.99 1x92 s VAL 79 N -0.69 0.47 -0.01 0.00 1.01 0.69 -4.87 120.40 117.00 1x92 s VAL 79 Ca -0.08 -0.00 -0.26 0.00 0.00 0.00 0.00 61.98 61.64 1x92 s VAL 79 Cb -0.05 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 1x92 s VAL 79 CO -0.00 0.25 0.79 0.00 0.00 0.00 0.00 175.10 176.14 1x92 s ALA 80 N 1.48 3.31 -2.09 5.51 0.00 -1.26 -1.50 121.76 127.20 1x92 s ALA 80 Ca -0.02 0.29 0.16 0.00 0.00 0.00 0.00 51.96 52.38 1x92 s ALA 80 Cb -0.13 -3.06 0.47 0.00 0.00 0.00 0.00 23.12 20.40 1x92 s ALA 80 CO -0.03 -0.07 1.38 1.28 0.00 0.00 0.00 175.76 178.32 1x92 n LEU 81 N 3.43 2.28 -0.42 0.00 4.77 0.52 -4.01 117.00 123.58 1x92 n LEU 81 Ca 0.00 -1.09 0.10 0.00 -0.03 0.00 0.00 56.01 54.99 1x92 n LEU 81 Cb 0.51 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.33 1x92 n LEU 81 CO 0.48 0.55 0.26 0.35 -1.33 0.00 0.00 177.39 177.70 1x92 n THR 82 N 0.74 0.00 -0.02 -5.08 -2.24 -1.26 -4.72 114.28 101.70 1x92 n THR 82 Ca 0.15 -0.25 0.05 0.00 -2.27 0.00 0.00 64.05 61.74 1x92 n THR 82 Cb 0.38 1.22 -0.14 0.00 -2.10 0.00 0.00 70.33 69.68 1x92 n THR 82 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1x92 n THR 83 N -0.20 0.48 -2.59 4.28 -2.24 -1.26 -4.83 114.28 107.92 1x92 n THR 83 Ca 0.08 -0.60 -0.41 0.00 -2.27 0.00 0.00 64.05 60.84 1x92 n THR 83 Cb 0.43 -0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.42 1x92 n THR 83 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x92 s ASP 84 N -4.93 6.19 0.48 3.42 -1.08 -1.26 -4.90 116.67 114.59 1x92 s ASP 84 Ca -0.07 -0.61 0.14 0.00 -0.52 0.00 0.00 52.55 51.49 1x92 s ASP 84 Cb 0.11 -2.54 1.11 0.00 -1.46 0.00 0.00 42.92 40.14 1x92 s ASP 84 CO 0.87 -1.76 2.07 0.77 0.52 0.00 0.00 175.17 177.64 1x92 h SER 85 N 9.94 0.05 -0.34 -0.34 4.64 -1.98 -1.58 113.55 123.94 1x92 h SER 85 Ca -0.24 -0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.97 1x92 h SER 85 Cb 1.05 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 1x92 h SER 85 CO 1.28 0.12 -0.21 0.28 -0.87 0.00 0.00 176.83 177.43 1x92 h SER 86 N 0.05 0.77 -0.15 4.97 0.02 -1.98 0.16 113.55 117.39 1x92 h SER 86 Ca 0.01 -0.43 -0.02 0.00 -0.84 0.00 0.00 61.79 60.51 1x92 h SER 86 Cb 0.14 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1x92 h SER 86 CO 0.01 1.03 0.01 0.74 -1.14 0.00 0.00 176.83 177.48 1x92 h THR 87 N 0.51 1.24 -0.01 -2.27 2.02 -1.86 -1.61 112.91 110.93 1x92 h THR 87 Ca 0.07 -0.79 -0.00 0.00 0.77 0.00 0.00 66.41 66.46 1x92 h THR 87 Cb 0.76 1.47 -0.00 0.00 -1.74 0.00 0.00 68.15 68.63 1x92 h THR 87 CO 0.06 0.23 0.01 0.40 0.37 0.00 0.00 175.52 176.59 1x92 h ILE 88 N 0.02 1.14 -0.69 3.11 2.04 -1.28 -1.85 117.51 119.99 1x92 h ILE 88 Ca 0.04 -0.40 -0.07 0.00 1.00 0.00 0.00 64.86 65.44 1x92 h ILE 88 Cb 0.35 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 1x92 h ILE 88 CO 0.01 0.11 0.17 0.71 0.00 0.00 0.00 178.15 179.14 1x92 h THR 89 N -0.14 1.26 -0.41 -0.27 1.35 -1.01 -1.99 112.91 111.70 1x92 h THR 89 Ca 0.00 -0.96 -0.14 0.00 -0.55 0.00 0.00 66.41 64.77 1x92 h THR 89 Cb 0.17 0.55 -0.01 0.00 -1.73 0.00 0.00 68.15 67.13 1x92 h THR 89 CO -0.00 0.37 -0.29 0.77 -0.25 0.00 0.00 175.52 176.12 1x92 h SER 90 N 1.04 0.92 -0.38 5.36 4.64 -1.18 0.17 113.55 124.11 1x92 h SER 90 Ca 0.22 -0.37 -0.05 0.00 -0.47 0.00 0.00 61.79 61.12 1x92 h SER 90 Cb 0.37 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1x92 h SER 90 CO 0.00 1.14 0.05 0.40 -0.87 0.00 0.00 176.83 177.55 1x92 h ILE 91 N 0.75 1.24 -0.33 0.95 2.04 -1.18 0.21 117.51 121.19 1x92 h ILE 91 Ca 0.08 -0.88 -0.10 0.00 1.00 0.00 0.00 64.86 64.96 1x92 h ILE 91 Cb 0.85 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1x92 h ILE 91 CO 0.07 0.30 -0.22 0.00 0.00 0.00 0.00 178.15 178.30 1x92 h ALA 92 N 0.91 1.00 -0.11 1.87 0.00 -1.17 -1.20 119.26 120.57 1x92 h ALA 92 Ca 0.12 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1x92 h ALA 92 Cb 0.38 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1x92 h ALA 92 CO 0.01 0.59 -0.13 -0.97 0.00 0.00 0.00 179.25 178.75 1x92 h ASN 93 N 0.56 0.30 -0.10 0.00 -1.24 -0.32 -3.24 115.58 111.55 1x92 h ASN 93 Ca 0.08 -0.51 -0.17 0.00 0.71 0.00 0.00 56.30 56.42 1x92 h ASN 93 Cb 0.68 -0.09 -0.00 0.00 0.73 0.00 0.00 38.32 39.64 1x92 h ASN 93 CO 0.05 0.75 -0.53 0.44 -1.29 0.00 0.00 177.43 176.86 1x92 h ASP 94 N -0.14 0.75 0.00 1.15 3.32 -0.51 -3.45 116.42 117.54 1x92 h ASP 94 Ca 0.01 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.67 1x92 h ASP 94 Cb 0.68 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1x92 h ASP 94 CO 0.03 1.13 0.00 -1.22 -1.72 0.00 0.00 179.24 177.46 1x92 n TYR 95 N -3.98 0.00 -3.46 4.55 4.02 -0.46 -5.09 117.16 112.73 1x92 n TYR 95 Ca -0.03 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.74 1x92 n TYR 95 Cb 0.60 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.89 1x92 n TYR 95 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1x92 s SER 96 N 1.00 -0.50 0.59 7.72 1.04 -1.18 -4.97 113.70 117.40 1x92 s SER 96 Ca 0.00 0.09 0.31 0.00 0.48 0.00 0.00 55.95 56.82 1x92 s SER 96 Cb 0.00 0.51 1.82 0.00 0.10 0.00 0.00 66.02 68.45 1x92 s SER 96 CO 0.00 -0.79 2.24 0.22 0.98 0.00 0.00 173.24 175.89 1x92 h TYR 97 N 2.12 0.00 0.00 5.02 3.20 -1.84 -1.95 116.97 123.52 1x92 h TYR 97 Ca -0.29 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.58 1x92 h TYR 97 Cb 1.26 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.53 1x92 h TYR 97 CO 0.26 0.02 -0.01 -0.91 -1.64 0.00 0.00 178.16 175.87 1x92 h ASN 98 N 0.00 0.00 -0.11 -2.11 2.35 -1.94 -2.79 115.58 110.98 1x92 h ASN 98 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1x92 h ASN 98 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1x92 h ASN 98 CO 0.00 0.01 0.00 -0.62 -1.65 0.00 0.00 177.43 175.17 1x92 n GLU 99 N -3.19 2.33 -0.02 0.81 1.02 -0.73 -4.16 120.64 116.70 1x92 n GLU 99 Ca -0.02 -1.94 0.10 0.00 -0.02 0.00 0.00 57.16 55.28 1x92 n GLU 99 Cb 0.13 -1.47 0.52 0.00 -0.02 0.00 0.00 31.44 30.60 1x92 n GLU 99 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 1x92 h VAL 100 N 4.50 0.94 0.02 2.62 -1.51 -1.64 -1.65 116.25 119.53 1x92 h VAL 100 Ca 0.00 -0.12 -0.39 0.00 -1.23 0.00 0.00 66.70 64.95 1x92 h VAL 100 Cb 0.96 0.55 -0.06 0.00 -2.13 0.00 0.00 31.29 30.62 1x92 h VAL 100 CO 0.00 0.07 -2.27 0.49 -1.23 0.00 0.00 177.57 174.63 1x92 n PHE 101 N -4.47 0.33 -0.31 5.19 0.99 -1.26 -4.18 117.46 113.75 1x92 n PHE 101 Ca 0.07 0.10 0.01 0.00 -0.00 0.00 0.00 57.45 57.63 1x92 n PHE 101 Cb 0.29 -1.04 0.14 0.00 -1.00 0.00 0.00 39.48 37.87 1x92 n PHE 101 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 1x92 h SER 102 N -0.49 0.82 -0.21 4.37 4.64 -1.76 0.09 113.55 121.01 1x92 h SER 102 Ca -0.57 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 60.71 1x92 h SER 102 Cb 1.74 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 63.66 1x92 h SER 102 CO -0.20 0.52 -0.03 0.50 -0.87 0.00 0.00 176.83 176.75 1x92 h LYS 103 N 0.95 0.52 -0.02 4.77 3.64 -1.52 -1.46 116.57 123.44 1x92 h LYS 103 Ca 0.37 -0.12 -0.18 0.00 -1.27 0.00 0.00 60.65 59.46 1x92 h LYS 103 Cb 0.18 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1x92 h LYS 103 CO -0.18 0.57 -0.77 1.96 -2.27 0.00 0.00 179.45 178.76 1x92 h GLN 104 N 0.50 0.20 -0.47 1.90 4.20 -1.21 -3.04 115.11 117.19 1x92 h GLN 104 Ca 0.10 -0.19 -0.06 0.00 0.06 0.00 0.00 58.65 58.57 1x92 h GLN 104 Cb 0.37 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 1x92 h GLN 104 CO 0.01 0.87 0.05 0.82 -0.67 0.00 0.00 178.83 179.92 1x92 h ILE 105 N 0.13 1.25 -0.50 2.54 2.04 -0.74 0.16 117.51 122.39 1x92 h ILE 105 Ca -0.03 -0.95 0.06 0.00 1.00 0.00 0.00 64.86 64.93 1x92 h ILE 105 Cb 1.34 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 38.36 1x92 h ILE 105 CO 0.12 0.33 0.33 0.03 0.00 0.00 0.00 178.15 178.96 1x92 h ARG 106 N 0.65 0.43 0.09 2.37 3.08 -1.27 0.33 114.38 120.06 1x92 h ARG 106 Ca 0.14 -0.03 -0.21 0.00 0.07 0.00 0.00 59.98 59.96 1x92 h ARG 106 Cb 0.42 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 1x92 h ARG 106 CO 0.01 0.29 -1.04 0.00 -1.07 0.00 0.00 179.97 178.16 1x92 h ALA 107 N 1.73 0.10 0.00 0.04 0.00 -1.30 -3.40 119.26 116.42 1x92 h ALA 107 Ca 0.21 -0.92 -0.20 0.00 0.00 0.00 0.00 54.91 54.01 1x92 h ALA 107 Cb 0.28 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1x92 h ALA 107 CO -0.06 0.58 -1.06 -0.07 0.00 0.00 0.00 179.25 178.64 1x92 h LEU 108 N -0.51 0.00 -9.55 0.00 3.38 -0.52 -3.47 115.31 104.63 1x92 h LEU 108 Ca -0.23 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.22 1x92 h LEU 108 Cb 1.56 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.34 1x92 h LEU 108 CO 0.04 0.84 0.78 -0.83 0.09 0.00 0.00 178.44 179.36 1x92 s GLY 109 N -4.74 1.84 0.17 0.83 0.00 0.11 -5.02 107.32 100.52 1x92 s GLY 109 Ca 0.00 1.17 0.11 0.00 0.00 0.00 0.00 44.72 46.01 1x92 s GLY 109 CO 0.80 2.45 -0.23 1.20 0.00 0.00 0.00 173.10 177.32 1x92 s GLN 110 N 1.24 1.54 0.34 2.90 -1.52 -1.26 -4.90 119.66 118.01 1x92 s GLN 110 Ca 0.66 -1.43 -0.28 0.00 -1.95 0.00 0.00 55.36 52.36 1x92 s GLN 110 Cb -0.38 -1.90 -0.12 0.00 -0.22 0.00 0.00 33.01 30.38 1x92 s GLN 110 CO 0.30 0.42 1.39 -0.35 -0.25 0.00 0.00 175.29 176.80 1x92 n PRO 111 N 0.47 2.35 0.00 2.91 -0.04 -1.13 -1.21 135.00 138.36 1x92 n PRO 111 Ca -0.14 0.82 0.00 0.00 -0.04 0.00 0.00 63.50 64.14 1x92 n PRO 111 Cb 0.55 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 1x92 n PRO 111 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x92 n GLY 112 N 0.86 2.00 3.74 0.55 0.00 -0.09 -4.98 105.19 107.26 1x92 n GLY 112 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1x92 n GLY 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x92 s ASP 113 N -3.11 2.59 0.01 1.61 1.01 -0.35 -4.69 116.67 113.73 1x92 s ASP 113 Ca 0.00 0.80 0.06 0.00 0.71 0.00 0.00 52.55 54.12 1x92 s ASP 113 Cb 0.00 -1.21 -0.02 0.00 1.01 0.00 0.00 42.92 42.70 1x92 s ASP 113 CO 0.00 -3.11 -0.18 -0.69 0.21 0.00 0.00 175.17 171.40 1x92 s VAL 114 N -3.25 1.44 -0.20 -1.27 1.01 -0.75 -1.93 120.40 115.45 1x92 s VAL 114 Ca 0.68 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 61.71 1x92 s VAL 114 Cb -0.12 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 1x92 s VAL 114 CO 0.55 0.31 0.01 -0.22 0.00 0.00 0.00 175.10 175.74 1x92 s LEU 115 N -0.69 3.30 -0.45 3.92 2.96 -0.09 0.04 118.68 127.67 1x92 s LEU 115 Ca 0.06 -0.18 -0.15 0.00 -0.22 0.00 0.00 54.13 53.64 1x92 s LEU 115 Cb -0.07 -1.84 0.05 0.00 0.50 0.00 0.00 46.19 44.83 1x92 s LEU 115 CO 0.00 0.07 0.37 -0.22 -1.32 0.00 0.00 176.35 175.25 1x92 s LEU 116 N 0.98 5.39 -0.28 -0.68 2.96 0.29 -0.09 118.68 127.25 1x92 s LEU 116 Ca 0.02 -1.13 -0.06 0.00 -0.22 0.00 0.00 54.13 52.73 1x92 s LEU 116 Cb -0.14 -2.19 0.00 0.00 0.50 0.00 0.00 46.19 44.36 1x92 s LEU 116 CO 0.02 -0.58 0.06 0.00 -1.32 0.00 0.00 176.35 174.53 1x92 s ALA 117 N 1.71 3.04 -0.18 5.97 0.00 0.84 -1.98 121.76 131.16 1x92 s ALA 117 Ca 0.05 -1.36 -0.03 0.00 0.00 0.00 0.00 51.96 50.62 1x92 s ALA 117 Cb -0.22 -2.06 -0.01 0.00 0.00 0.00 0.00 23.12 20.82 1x92 s ALA 117 CO 0.08 -0.78 -0.06 0.42 0.00 0.00 0.00 175.76 175.42 1x92 s ILE 118 N 1.51 3.40 -0.28 0.00 1.01 -0.84 -0.97 121.20 125.03 1x92 s ILE 118 Ca 0.04 -0.51 -0.10 0.00 0.00 0.00 0.00 60.65 60.08 1x92 s ILE 118 Cb -0.16 -2.51 0.12 0.00 0.01 0.00 0.00 42.46 39.92 1x92 s ILE 118 CO 0.02 0.47 0.62 -0.55 0.00 0.00 0.00 174.94 175.49 1x92 s SER 119 N 0.93 -1.01 0.48 3.58 0.15 -0.36 -4.24 113.70 113.23 1x92 s SER 119 Ca -0.01 1.49 0.26 0.00 0.70 0.00 0.00 55.95 58.39 1x92 s SER 119 Cb -0.15 2.07 1.17 0.00 -1.71 0.00 0.00 66.02 67.40 1x92 s SER 119 CO 0.01 -0.22 1.93 0.71 1.20 0.00 0.00 173.24 176.87 1x92 h THR 120 N 5.92 0.51 0.00 6.45 1.35 -1.90 -3.03 112.91 122.20 1x92 h THR 120 Ca -0.19 -0.86 -0.14 0.00 -0.55 0.00 0.00 66.41 64.67 1x92 h THR 120 Cb 1.12 1.59 -0.03 0.00 -1.73 0.00 0.00 68.15 69.10 1x92 h THR 120 CO 0.11 0.17 -1.92 -1.54 -0.25 0.00 0.00 175.52 172.09 1x92 n SER 121 N -3.45 0.23 0.00 5.36 3.41 -1.26 -2.55 113.62 115.35 1x92 n SER 121 Ca -0.01 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1x92 n SER 121 Cb 0.35 1.25 0.00 0.00 -0.26 0.00 0.00 64.21 65.55 1x92 n SER 121 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x92 n GLY 122 N 1.42 0.73 0.20 5.00 0.00 -1.14 -3.47 105.19 107.93 1x92 n GLY 122 Ca -0.13 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.93 1x92 n GLY 122 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1x92 n ASN 123 N -0.02 2.41 -4.68 1.61 5.15 -1.26 -0.80 115.26 117.67 1x92 n ASN 123 Ca 0.00 -2.35 -0.42 0.00 -0.60 0.00 0.00 54.58 51.20 1x92 n ASN 123 Cb 0.01 -0.19 -0.03 0.00 -0.53 0.00 0.00 39.78 39.04 1x92 n ASN 123 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1x92 s SER 124 N -1.54 7.00 0.20 1.20 0.01 -1.26 -4.88 113.70 114.42 1x92 s SER 124 Ca 0.15 1.80 -0.12 0.00 1.31 0.00 0.00 55.95 59.09 1x92 s SER 124 Cb 0.12 -2.55 0.22 0.00 0.21 0.00 0.00 66.02 64.02 1x92 s SER 124 CO 0.04 -0.65 1.69 0.00 0.41 0.00 0.00 173.24 174.73 1x92 h ALA 125 N 7.73 0.54 0.00 1.44 0.00 -1.95 -0.04 119.26 126.99 1x92 h ALA 125 Ca -0.32 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1x92 h ALA 125 Cb 1.14 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1x92 h ALA 125 CO 0.91 -0.37 -0.19 -2.95 0.00 0.00 0.00 179.25 176.65 1x92 h ASN 126 N 0.15 0.00 0.89 0.00 7.08 -1.84 0.88 115.58 122.74 1x92 h ASN 126 Ca 0.27 0.00 -0.23 0.00 -3.08 0.00 0.00 56.30 53.27 1x92 h ASN 126 Cb 0.41 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.62 1x92 h ASN 126 CO -0.42 0.19 -1.16 0.58 -2.08 0.00 0.00 177.43 174.54 1x92 h VAL 127 N 0.00 1.49 -0.26 6.14 2.07 -1.41 -1.13 116.25 123.15 1x92 h VAL 127 Ca -0.00 -3.22 -0.02 0.00 0.82 0.00 0.00 66.70 64.28 1x92 h VAL 127 Cb 0.41 2.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 1x92 h VAL 127 CO 0.03 0.85 0.10 0.40 0.02 0.00 0.00 177.57 178.96 1x92 h ILE 128 N 0.00 1.18 0.00 4.57 2.04 -0.53 -1.46 117.51 123.30 1x92 h ILE 128 Ca -0.08 -0.54 -0.09 0.00 1.00 0.00 0.00 64.86 65.16 1x92 h ILE 128 Cb 1.82 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.94 1x92 h ILE 128 CO 0.12 0.18 -0.42 1.56 0.00 0.00 0.00 178.15 179.59 1x92 h GLN 129 N 0.26 0.00 -0.76 2.37 4.20 -0.84 -2.65 115.11 117.69 1x92 h GLN 129 Ca 0.08 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 1x92 h GLN 129 Cb 0.19 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 1x92 h GLN 129 CO -0.01 0.42 0.30 0.00 -0.67 0.00 0.00 178.83 178.86 1x92 h ALA 130 N 1.58 1.00 -0.57 3.87 0.00 -0.63 -0.97 119.26 123.54 1x92 h ALA 130 Ca -0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1x92 h ALA 130 Cb 0.75 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1x92 h ALA 130 CO 0.05 0.63 0.09 0.82 0.00 0.00 0.00 179.25 180.84 1x92 h ILE 131 N 1.11 1.24 -0.17 0.00 2.04 -0.98 0.91 117.51 121.67 1x92 h ILE 131 Ca 0.25 -0.94 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 1x92 h ILE 131 Cb 0.23 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1x92 h ILE 131 CO -0.02 0.35 0.02 -0.61 0.00 0.00 0.00 178.15 177.89 1x92 h GLN 132 N 0.86 0.29 -0.59 2.37 4.15 -1.10 -2.02 115.11 119.07 1x92 h GLN 132 Ca 0.18 -0.08 -0.03 0.00 0.77 0.00 0.00 58.65 59.49 1x92 h GLN 132 Cb 0.38 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.01 1x92 h GLN 132 CO 0.01 0.46 0.26 0.00 -1.93 0.00 0.00 178.83 177.63 1x92 h ALA 133 N 0.81 1.35 -0.48 3.38 0.00 -0.91 -0.67 119.26 122.75 1x92 h ALA 133 Ca 0.05 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1x92 h ALA 133 Cb 0.32 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1x92 h ALA 133 CO 0.00 0.50 0.00 0.00 0.00 0.00 0.00 179.25 179.76 1x92 h ALA 134 N 1.45 1.11 -0.69 0.00 0.00 -0.54 -1.74 119.26 118.85 1x92 h ALA 134 Ca 0.21 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1x92 h ALA 134 Cb 0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1x92 h ALA 134 CO -0.02 0.57 0.19 0.45 0.00 0.00 0.00 179.25 180.43 1x92 h HIS 135 N 0.74 1.13 0.00 0.00 -0.00 -0.82 0.25 115.15 116.45 1x92 h HIS 135 Ca 0.14 -0.12 -0.04 0.00 -0.00 0.00 0.00 60.37 60.36 1x92 h HIS 135 Cb 0.44 -0.32 -0.01 0.00 -0.00 0.00 0.00 27.41 27.52 1x92 h HIS 135 CO 0.02 0.91 -0.17 -0.44 -0.00 0.00 0.00 177.93 178.25 1x92 h ASP 136 N 1.04 0.00 -0.56 2.45 3.32 -0.49 -1.18 116.42 121.00 1x92 h ASP 136 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1x92 h ASP 136 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1x92 h ASP 136 CO -0.00 0.17 0.00 0.54 -1.72 0.00 0.00 179.24 178.22 1x92 n ARG 137 N -3.96 3.16 -3.57 3.56 5.12 -0.22 -4.92 116.66 115.84 1x92 n ARG 137 Ca -0.02 -2.37 -0.21 0.00 -1.93 0.00 0.00 57.85 53.32 1x92 n ARG 137 Cb 0.25 -1.75 0.07 0.00 -1.16 0.00 0.00 32.46 29.88 1x92 n ARG 137 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1x92 n GLU 138 N 0.98 -6.57 -4.15 5.56 1.02 -0.45 -2.82 120.64 114.21 1x92 n GLU 138 Ca 0.22 0.78 -0.24 0.00 -0.02 0.00 0.00 57.16 57.90 1x92 n GLU 138 Cb 0.73 -5.72 -0.05 0.00 -0.02 0.00 0.00 31.44 26.38 1x92 n GLU 138 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1x92 s MET 139 N -5.83 2.76 0.28 3.49 -1.94 0.73 -0.91 119.30 117.87 1x92 s MET 139 Ca 0.21 -1.08 0.02 0.00 -1.71 0.00 0.00 55.69 53.13 1x92 s MET 139 Cb -0.10 -2.49 -0.03 0.00 2.01 0.00 0.00 34.83 34.22 1x92 s MET 139 CO 0.75 0.42 0.45 -0.51 -0.01 0.00 0.00 175.02 176.12 1x92 s LEU 140 N -3.55 4.16 -0.07 -0.03 1.02 -0.81 -4.39 118.68 115.01 1x92 s LEU 140 Ca 0.32 0.32 0.03 0.00 0.02 0.00 0.00 54.13 54.82 1x92 s LEU 140 Cb -0.08 -3.14 0.01 0.00 0.02 0.00 0.00 46.19 42.99 1x92 s LEU 140 CO 0.23 -0.16 -0.16 -0.69 0.02 0.00 0.00 176.35 175.59 1x92 s VAL 141 N -2.10 1.41 -0.26 -1.59 1.01 -1.26 -0.91 120.40 116.70 1x92 s VAL 141 Ca 0.38 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.65 1x92 s VAL 141 Cb -0.10 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 1x92 s VAL 141 CO 0.32 0.41 0.04 -0.69 0.00 0.00 0.00 175.10 175.19 1x92 s VAL 142 N 0.47 3.88 -0.21 2.92 1.01 0.87 -1.18 120.40 128.15 1x92 s VAL 142 Ca -0.14 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.29 1x92 s VAL 142 Cb -0.16 -2.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.31 1x92 s VAL 142 CO 0.05 0.24 -0.00 0.00 0.00 0.00 0.00 175.10 175.39 1x92 s ALA 143 N 1.52 2.99 -0.30 5.51 0.00 -0.18 -0.11 121.76 131.19 1x92 s ALA 143 Ca 0.04 -1.06 -0.12 0.00 0.00 0.00 0.00 51.96 50.82 1x92 s ALA 143 Cb -0.16 -1.80 -0.04 0.00 0.00 0.00 0.00 23.12 21.12 1x92 s ALA 143 CO 0.01 -0.28 0.25 -0.51 0.00 0.00 0.00 175.76 175.23 1x92 s LEU 144 N 1.22 4.17 0.00 0.00 1.43 -0.14 0.13 118.68 125.49 1x92 s LEU 144 Ca 0.03 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.09 1x92 s LEU 144 Cb -0.15 -2.19 -0.01 0.00 0.03 0.00 0.00 46.19 43.87 1x92 s LEU 144 CO 0.01 -0.14 0.09 0.35 0.23 0.00 0.00 176.35 176.89 1x92 n THR 145 N 5.10 0.00 -3.50 5.49 -2.24 -0.06 -1.23 114.28 117.84 1x92 n THR 145 Ca -0.12 -0.78 -0.05 0.00 -2.27 0.00 0.00 64.05 60.82 1x92 n THR 145 Cb 0.51 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 1x92 n THR 145 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x92 n GLY 146 N -0.03 1.92 7.00 3.38 0.00 -1.06 -0.35 105.19 116.06 1x92 n GLY 146 Ca 0.02 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1x92 n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x92 n ARG 147 N -0.25 0.00 -0.36 1.61 1.74 -0.33 -1.48 116.66 117.59 1x92 n ARG 147 Ca -0.03 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.16 1x92 n ARG 147 Cb 0.27 0.00 0.31 0.00 -1.02 0.00 0.00 32.46 32.01 1x92 n ARG 147 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1x92 n ASP 148 N 4.40 3.87 0.00 0.55 5.75 -1.26 -4.82 116.55 125.04 1x92 n ASP 148 Ca 0.00 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.77 1x92 n ASP 148 Cb 0.00 -0.46 0.00 0.00 -1.03 0.00 0.00 41.12 39.63 1x92 n ASP 148 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1x92 n GLY 149 N 1.51 2.58 7.00 6.12 0.00 -0.55 -4.92 105.19 116.93 1x92 n GLY 149 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1x92 n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x92 n GLY 150 N -2.00 1.93 0.12 -0.02 0.00 -1.23 -1.16 105.19 102.83 1x92 n GLY 150 Ca 0.00 -0.36 -0.05 0.00 0.00 0.00 0.00 46.02 45.61 1x92 n GLY 150 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1x92 h GLY 151 N 0.00 0.06 0.64 -0.02 0.00 -1.55 -3.23 103.07 98.97 1x92 h GLY 151 Ca 0.00 -0.10 0.06 0.00 0.00 0.00 0.00 47.33 47.29 1x92 h GLY 151 CO 0.00 0.09 0.25 -0.33 0.00 0.00 0.00 176.54 176.54 1x92 h MET 152 N 0.03 0.46 -0.58 4.80 2.86 -0.80 -1.98 114.93 119.72 1x92 h MET 152 Ca -0.02 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1x92 h MET 152 Cb 1.37 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.89 1x92 h MET 152 CO 0.11 0.30 0.31 0.00 1.06 0.00 0.00 176.91 178.69 1x92 h ALA 153 N 1.31 1.46 0.00 6.32 0.00 -1.15 -1.74 119.26 125.46 1x92 h ALA 153 Ca 0.24 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1x92 h ALA 153 Cb 0.19 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1x92 h ALA 153 CO -0.19 0.44 -0.34 0.77 0.00 0.00 0.00 179.25 179.93 1x92 h SER 154 N 0.80 0.00 1.78 0.00 0.02 -1.45 -2.67 113.55 112.03 1x92 h SER 154 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1x92 h SER 154 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1x92 h SER 154 CO -0.03 0.34 0.00 -0.07 -1.14 0.00 0.00 176.83 175.93 1x92 h LEU 155 N 0.00 0.00 -9.91 5.07 3.38 -0.97 -3.46 115.31 109.42 1x92 h LEU 155 Ca -0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 1x92 h LEU 155 Cb 0.62 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.47 1x92 h LEU 155 CO 0.04 0.00 0.80 0.18 0.09 0.00 0.00 178.44 179.55 1x92 n LEU 156 N -3.01 4.70 -4.98 1.67 4.77 -1.01 -5.01 117.00 114.14 1x92 n LEU 156 Ca 0.04 1.21 -0.20 0.00 -0.03 0.00 0.00 56.01 57.03 1x92 n LEU 156 Cb 0.48 -1.62 -0.01 0.00 -2.33 0.00 0.00 43.42 39.95 1x92 n LEU 156 CO 0.32 0.16 0.08 -0.76 -1.33 0.00 0.00 177.39 175.86 1x92 s LEU 157 N -1.74 3.99 0.37 2.23 1.43 -1.26 -4.99 118.68 118.71 1x92 s LEU 157 Ca 0.55 -0.05 0.15 0.00 -1.03 0.00 0.00 54.13 53.76 1x92 s LEU 157 Cb -0.48 -2.85 1.04 0.00 0.03 0.00 0.00 46.19 43.93 1x92 s LEU 157 CO 0.61 -0.40 1.74 1.55 0.23 0.00 0.00 176.35 180.08 1x92 h PRO 158 N 0.87 0.43 0.00 1.29 0.13 -2.02 0.46 132.00 133.17 1x92 h PRO 158 Ca -0.47 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1x92 h PRO 158 Cb 1.25 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1x92 h PRO 158 CO 0.55 0.29 0.00 0.39 -0.23 0.00 0.00 178.00 179.00 1x92 n GLU 159 N -4.76 0.13 -1.66 0.86 -0.58 -1.26 -4.86 120.64 108.52 1x92 n GLU 159 Ca 0.27 0.13 -0.30 0.00 -0.42 0.00 0.00 57.16 56.84 1x92 n GLU 159 Cb 0.86 -1.66 0.09 0.00 -0.57 0.00 0.00 31.44 30.16 1x92 n GLU 159 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1x92 s ASP 160 N -3.78 4.55 -0.03 1.62 1.01 0.15 -4.78 116.67 115.42 1x92 s ASP 160 Ca 0.12 1.16 0.03 0.00 0.71 0.00 0.00 52.55 54.57 1x92 s ASP 160 Cb 0.15 -1.86 0.00 0.00 1.01 0.00 0.00 42.92 42.22 1x92 s ASP 160 CO 0.55 -1.91 -0.10 -0.69 0.21 0.00 0.00 175.17 173.22 1x92 s VAL 161 N -3.26 0.88 -0.08 -1.27 1.01 -0.32 -4.90 120.40 112.45 1x92 s VAL 161 Ca 0.61 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 62.18 1x92 s VAL 161 Cb -0.13 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 1x92 s VAL 161 CO 0.53 0.27 -0.09 -0.70 0.00 0.00 0.00 175.10 175.11 1x92 s GLU 162 N 0.13 2.85 -0.44 2.72 2.12 -1.26 -1.02 118.70 123.80 1x92 s GLU 162 Ca -0.02 -0.60 0.04 0.00 0.36 0.00 0.00 54.97 54.75 1x92 s GLU 162 Cb -0.08 -2.57 0.12 0.00 0.26 0.00 0.00 34.13 31.85 1x92 s GLU 162 CO 0.01 0.56 0.17 0.42 -0.54 0.00 0.00 175.26 175.88 1x92 s ILE 163 N -0.55 2.36 -0.44 -3.70 1.01 0.12 -4.84 121.20 115.17 1x92 s ILE 163 Ca 0.08 -2.84 -0.16 0.00 0.00 0.00 0.00 60.65 57.73 1x92 s ILE 163 Cb -0.12 -2.69 0.04 0.00 0.01 0.00 0.00 42.46 39.70 1x92 s ILE 163 CO 0.02 -0.72 0.38 -0.60 0.00 0.00 0.00 174.94 174.02 1x92 s ARG 164 N 0.27 3.01 0.22 2.79 3.52 -1.26 -0.88 118.95 126.62 1x92 s ARG 164 Ca 0.14 -1.04 -0.31 0.00 -0.13 0.00 0.00 55.73 54.40 1x92 s ARG 164 Cb -0.23 -4.03 -0.10 0.00 -1.56 0.00 0.00 34.95 29.03 1x92 s ARG 164 CO -0.04 -0.88 1.51 0.08 -0.81 0.00 0.00 175.30 175.16 1x92 s VAL 165 N 1.84 2.58 -1.47 7.11 1.01 0.53 -4.88 120.40 127.13 1x92 s VAL 165 Ca 0.07 0.45 -0.14 0.00 0.00 0.00 0.00 61.98 62.37 1x92 s VAL 165 Cb -0.20 -3.29 0.03 0.00 0.00 0.00 0.00 36.38 32.92 1x92 s VAL 165 CO 0.10 0.06 2.28 -0.81 0.00 0.00 0.00 175.10 176.73 1x92 n PRO 166 N 3.03 2.90 -3.51 2.72 -0.04 -1.26 -3.59 135.00 135.26 1x92 n PRO 166 Ca 0.10 -2.56 -0.12 0.00 -0.04 0.00 0.00 63.50 60.88 1x92 n PRO 166 Cb 0.39 -3.25 -0.03 0.00 -0.04 0.00 0.00 33.50 30.57 1x92 n PRO 166 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x92 s SER 167 N 3.14 -0.46 0.00 3.54 0.15 -1.26 -4.92 113.70 113.89 1x92 s SER 167 Ca 0.49 -0.05 0.07 0.00 0.70 0.00 0.00 55.95 57.16 1x92 s SER 167 Cb 0.14 0.55 -0.01 0.00 -1.71 0.00 0.00 66.02 64.99 1x92 s SER 167 CO -0.09 -0.89 0.47 0.29 1.20 0.00 0.00 173.24 174.22 1x92 n LYS 168 N -0.20 2.74 -3.22 5.44 5.02 -1.26 -1.18 118.16 125.51 1x92 n LYS 168 Ca -0.17 -0.41 -0.42 0.00 -2.02 0.00 0.00 58.31 55.29 1x92 n LYS 168 Cb 0.64 -0.95 -0.08 0.00 -0.02 0.00 0.00 35.03 34.62 1x92 n LYS 168 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1x92 s ILE 169 N -1.15 4.97 0.27 -0.18 -1.09 -1.26 -4.93 121.20 117.83 1x92 s ILE 169 Ca 0.05 0.05 -0.03 0.00 -2.23 0.00 0.00 60.65 58.50 1x92 s ILE 169 Cb 0.05 -4.07 0.32 0.00 -1.58 0.00 0.00 42.46 37.18 1x92 s ILE 169 CO 0.18 -0.42 1.63 0.74 -1.23 0.00 0.00 174.94 175.84 1x92 h THR 170 N 5.74 0.27 -0.54 2.92 2.02 -1.92 0.20 112.91 121.59 1x92 h THR 170 Ca -0.27 -0.04 -0.08 0.00 0.77 0.00 0.00 66.41 66.80 1x92 h THR 170 Cb 1.11 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 1x92 h THR 170 CO 0.82 0.02 0.02 0.00 0.37 0.00 0.00 175.52 176.76 1x92 h ALA 171 N 1.79 1.02 -0.31 6.16 0.00 -1.99 -0.35 119.26 125.57 1x92 h ALA 171 Ca 0.49 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 1x92 h ALA 171 Cb 0.94 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1x92 h ALA 171 CO -0.72 0.61 -0.15 0.00 0.00 0.00 0.00 179.25 179.00 1x92 h ARG 172 N 0.84 0.64 -0.62 0.00 2.47 -1.54 -2.51 114.38 113.67 1x92 h ARG 172 Ca 0.16 -0.28 0.05 0.00 -1.26 0.00 0.00 59.98 58.65 1x92 h ARG 172 Cb 0.47 -0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 28.72 1x92 h ARG 172 CO 0.02 0.87 0.35 0.82 0.56 0.00 0.00 179.97 182.59 1x92 h ILE 173 N 0.40 1.00 -0.22 2.04 2.04 -0.25 -1.52 117.51 121.01 1x92 h ILE 173 Ca 0.07 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 1x92 h ILE 173 Cb 0.67 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1x92 h ILE 173 CO 0.04 0.12 -0.05 1.56 0.00 0.00 0.00 178.15 179.82 1x92 h GLN 174 N 0.67 0.33 -0.51 2.37 4.20 -0.97 0.07 115.11 121.27 1x92 h GLN 174 Ca 0.27 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.82 1x92 h GLN 174 Cb 0.12 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 1x92 h GLN 174 CO -0.15 0.40 -0.07 0.93 -0.67 0.00 0.00 178.83 179.27 1x92 h GLU 175 N 0.32 0.91 -0.01 1.46 5.08 -0.85 -0.93 114.58 120.57 1x92 h GLU 175 Ca 0.07 -0.30 -0.25 0.00 -1.00 0.00 0.00 59.36 57.88 1x92 h GLU 175 Cb 0.30 -0.08 0.02 0.00 0.50 0.00 0.00 28.75 29.49 1x92 h GLU 175 CO 0.01 0.95 -0.99 0.28 -1.00 0.00 0.00 179.01 178.26 1x92 h VAL 176 N 0.83 1.29 -0.76 3.13 2.07 -0.79 -2.79 116.25 119.23 1x92 h VAL 176 Ca 0.14 -2.22 0.11 0.00 0.82 0.00 0.00 66.70 65.56 1x92 h VAL 176 Cb 0.58 2.39 -0.08 0.00 -1.52 0.00 0.00 31.29 32.66 1x92 h VAL 176 CO 0.04 0.68 0.38 0.45 0.02 0.00 0.00 177.57 179.14 1x92 h HIS 177 N 0.35 0.67 -0.60 1.57 3.86 -0.77 0.78 115.15 121.01 1x92 h HIS 177 Ca -0.12 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.08 1x92 h HIS 177 Cb 1.65 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 29.91 1x92 h HIS 177 CO 0.11 0.20 0.24 1.25 0.86 0.00 0.00 177.93 180.59 1x92 h LEU 178 N 0.60 0.83 -0.57 2.43 5.85 -1.08 -0.36 115.31 123.01 1x92 h LEU 178 Ca 0.39 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.90 1x92 h LEU 178 Cb 0.48 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1x92 h LEU 178 CO -0.31 0.78 0.19 0.25 -0.34 0.00 0.00 178.44 179.01 1x92 h LEU 179 N 0.83 0.82 -0.95 2.25 5.85 -0.91 -1.94 115.31 121.26 1x92 h LEU 179 Ca 0.20 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1x92 h LEU 179 Cb 0.21 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 1x92 h LEU 179 CO -0.02 0.80 0.62 0.00 -0.34 0.00 0.00 178.44 179.50 1x92 h ALA 180 N 1.05 1.24 -0.53 1.25 0.00 0.12 -0.22 119.26 122.18 1x92 h ALA 180 Ca 0.19 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1x92 h ALA 180 Cb 0.26 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1x92 h ALA 180 CO -0.01 0.52 -0.03 0.82 0.00 0.00 0.00 179.25 180.56 1x92 h ILE 181 N 1.22 1.26 -0.21 0.00 2.04 -0.87 -0.46 117.51 120.49 1x92 h ILE 181 Ca 0.37 -1.11 -0.11 0.00 1.00 0.00 0.00 64.86 65.01 1x92 h ILE 181 Cb -0.04 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1x92 h ILE 181 CO -0.11 0.40 -0.34 0.45 0.00 0.00 0.00 178.15 178.55 1x92 h HIS 182 N 0.84 0.50 -0.07 1.37 3.86 -0.62 0.17 115.15 121.19 1x92 h HIS 182 Ca 0.15 -0.13 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1x92 h HIS 182 Cb 0.53 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.88 1x92 h HIS 182 CO 0.03 0.72 0.02 0.00 0.86 0.00 0.00 177.93 179.57 1x92 h LEU 184 N -0.07 0.18 -0.79 0.00 3.38 -0.78 0.31 115.31 117.54 1x92 h LEU 184 Ca 0.02 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1x92 h LEU 184 Cb 0.22 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1x92 h LEU 184 CO -0.00 0.14 0.43 0.00 0.09 0.00 0.00 178.44 179.10 1x92 h ASP 186 N 1.09 0.58 -0.07 0.00 3.58 -0.26 -2.14 116.42 119.20 1x92 h ASP 186 Ca 0.28 -0.27 -0.08 0.00 0.42 0.00 0.00 57.03 57.38 1x92 h ASP 186 Cb 0.03 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 1x92 h ASP 186 CO -0.04 0.70 -0.17 -0.07 -2.88 0.00 0.00 179.24 176.78 1x92 h LEU 187 N 0.44 0.43 -0.16 2.28 3.38 -0.13 -1.64 115.31 119.91 1x92 h LEU 187 Ca 0.11 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1x92 h LEU 187 Cb 0.37 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1x92 h LEU 187 CO 0.01 0.62 -0.05 0.40 0.09 0.00 0.00 178.44 179.51 1x92 h ILE 188 N 0.40 1.30 -0.58 1.22 2.04 -0.98 -1.25 117.51 119.66 1x92 h ILE 188 Ca 0.07 -1.05 0.02 0.00 1.00 0.00 0.00 64.86 64.90 1x92 h ILE 188 Cb 0.54 1.67 -0.03 0.00 -0.74 0.00 0.00 36.82 38.25 1x92 h ILE 188 CO 0.03 0.31 0.37 0.44 0.00 0.00 0.00 178.15 179.30 1x92 h ASP 189 N 0.00 0.61 -0.61 1.72 3.45 -1.12 -0.41 116.42 120.07 1x92 h ASP 189 Ca 0.04 -0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.44 1x92 h ASP 189 Cb 0.50 -0.14 -0.03 0.00 -0.56 0.00 0.00 39.33 39.11 1x92 h ASP 189 CO 0.02 0.43 0.18 0.03 -1.57 0.00 0.00 179.24 178.34 1x92 h ARG 190 N 0.73 0.95 -0.48 3.56 3.08 -1.22 0.32 114.38 121.33 1x92 h ARG 190 Ca 0.23 -0.21 -0.10 0.00 0.07 0.00 0.00 59.98 59.97 1x92 h ARG 190 Cb -0.02 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 1x92 h ARG 190 CO -0.08 0.85 -0.09 1.96 -1.07 0.00 0.00 179.97 181.54 1x92 h GLN 191 N 0.87 0.91 0.17 0.04 1.08 -0.89 0.21 115.11 117.50 1x92 h GLN 191 Ca 0.20 -0.34 -0.32 0.00 -1.45 0.00 0.00 58.65 56.74 1x92 h GLN 191 Cb 0.30 -0.06 0.01 0.00 -0.05 0.00 0.00 27.48 27.68 1x92 h GLN 191 CO -0.00 0.99 -1.53 -0.07 -0.95 0.00 0.00 178.83 177.26 1x92 h LEU 192 N 0.76 0.58 -2.93 1.46 3.38 -0.91 -3.39 115.31 114.25 1x92 h LEU 192 Ca 0.12 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1x92 h LEU 192 Cb 0.63 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1x92 h LEU 192 CO 0.04 1.59 -0.01 0.49 0.09 0.00 0.00 178.44 180.64 1x92 n PHE 193 N -3.57 0.00 -0.37 1.13 3.01 0.11 -5.08 117.46 112.69 1x92 n PHE 193 Ca -0.17 -0.71 0.05 0.00 1.01 0.00 0.00 57.45 57.63 1x92 n PHE 193 Cb 1.07 -0.10 -0.02 0.00 -0.01 0.00 0.00 39.48 40.42 1x92 n PHE 193 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1x92 n GLY 194 N -0.91 -2.08 0.00 1.37 0.00 0.72 -4.96 105.19 99.33 1x92 n GLY 194 Ca 0.07 -1.40 0.12 0.00 0.00 0.00 0.00 46.02 44.81 1x92 n GLY 194 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76