#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ch0 s SER 2 N 0.00 -0.20 0.98 1.61 0.01 -1.26 -5.20 113.70 109.64 2ch0 s SER 2 Ca 0.00 0.11 -0.12 0.00 1.31 0.00 0.00 55.95 57.25 2ch0 s SER 2 Cb 0.00 0.19 0.17 0.00 0.21 0.00 0.00 66.02 66.59 2ch0 s SER 2 CO 0.00 -0.26 1.03 -2.65 0.41 0.00 0.00 173.24 171.77 2ch0 n PRO 3 N 0.23 -0.96 -4.20 12.44 -0.02 -1.26 -5.11 135.00 136.12 2ch0 n PRO 3 Ca -0.03 -1.65 -0.27 0.00 -2.02 0.00 0.00 63.50 59.53 2ch0 n PRO 3 Cb 0.59 -1.04 -0.08 0.00 -0.02 0.00 0.00 33.50 32.95 2ch0 n PRO 3 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2ch0 s GLU 4 N -5.24 2.40 -0.31 -0.52 -1.05 -1.26 -5.06 118.70 107.65 2ch0 s GLU 4 Ca 0.59 -1.08 0.07 0.00 -0.15 0.00 0.00 54.97 54.40 2ch0 s GLU 4 Cb -0.02 -2.37 0.46 0.00 -0.44 0.00 0.00 34.13 31.76 2ch0 s GLU 4 CO 0.41 0.47 1.17 1.19 0.95 0.00 0.00 175.26 179.45 2ch0 n PHE 5 N -0.00 2.79 0.25 4.83 3.72 -1.26 -4.83 117.46 122.96 2ch0 n PHE 5 Ca -0.10 -2.36 -0.06 0.00 -0.05 0.00 0.00 57.45 54.88 2ch0 n PHE 5 Cb 0.55 -0.30 0.04 0.00 -0.94 0.00 0.00 39.48 38.83 2ch0 n PHE 5 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2ch0 n ARG 6 N -0.67 1.31 -3.28 -1.08 5.12 -1.26 -4.76 116.66 112.04 2ch0 n ARG 6 Ca 0.42 -0.70 -0.20 0.00 -1.93 0.00 0.00 57.85 55.43 2ch0 n ARG 6 Cb 0.92 -1.28 0.01 0.00 -1.16 0.00 0.00 32.46 30.95 2ch0 n ARG 6 CO 0.00 0.00 0.00 1.67 -1.93 0.00 0.00 177.63 177.37 2ch0 s TRP 7 N -0.78 2.16 -0.71 -1.55 -2.14 -1.26 -5.05 118.94 109.61 2ch0 s TRP 7 Ca 0.13 -0.59 0.24 0.00 2.66 0.00 0.00 56.10 58.55 2ch0 s TRP 7 Cb 0.11 -2.21 0.91 0.00 -3.10 0.00 0.00 33.47 29.18 2ch0 s TRP 7 CO 0.02 -0.59 1.74 -2.37 -2.66 0.00 0.00 176.95 173.08 2ch0 n THR 8 N -1.89 0.65 0.27 0.66 5.66 -1.26 -3.71 114.28 114.65 2ch0 n THR 8 Ca 0.08 -0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.20 2ch0 n THR 8 Cb 0.61 -0.83 0.74 0.00 -1.55 0.00 0.00 70.33 69.30 2ch0 n THR 8 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2ch0 h LYS 9 N 0.00 0.00 0.00 1.09 1.57 -1.97 -2.50 116.57 114.77 2ch0 h LYS 9 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ch0 h LYS 9 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2ch0 h LYS 9 CO 0.00 0.10 0.19 0.93 -0.57 0.00 0.00 179.45 180.10 2ch0 h GLU 10 N 0.00 0.00 0.00 3.15 5.08 -1.86 0.36 114.58 121.31 2ch0 h GLU 10 Ca -0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 2ch0 h GLU 10 Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2ch0 h GLU 10 CO 0.01 0.00 -0.38 0.93 -1.00 0.00 0.00 179.01 178.58 2ch0 h GLU 11 N 0.00 0.00 -0.82 2.33 4.39 -1.74 -3.30 114.58 115.44 2ch0 h GLU 11 Ca 0.00 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.79 2ch0 h GLU 11 Cb 0.38 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.96 2ch0 h GLU 11 CO 0.00 0.38 0.48 1.49 -1.16 0.00 0.00 179.01 180.20 2ch0 h GLU 12 N 0.00 0.80 0.00 2.33 4.81 -1.12 -0.12 114.58 121.27 2ch0 h GLU 12 Ca -0.00 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 2ch0 h GLU 12 Cb 0.77 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.97 2ch0 h GLU 12 CO 0.05 0.53 -0.07 0.93 -0.73 0.00 0.00 179.01 179.71 2ch0 h GLU 13 N 0.82 0.00 0.01 1.92 4.39 -1.74 -3.23 114.58 116.75 2ch0 h GLU 13 Ca 0.39 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.09 2ch0 h GLU 13 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2ch0 h GLU 13 CO -0.23 0.07 -0.00 1.79 -1.16 0.00 0.00 179.01 179.48 2ch0 h THR 14 N 0.00 1.29 0.00 1.13 1.35 -1.41 -3.46 112.91 111.81 2ch0 h THR 14 Ca -0.00 -1.94 0.00 0.00 -0.55 0.00 0.00 66.41 63.92 2ch0 h THR 14 Cb 0.15 2.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 2ch0 h THR 14 CO 0.01 0.43 0.00 -1.14 -0.25 0.00 0.00 175.52 174.57 2ch0 n ARG 15 N -4.67 0.00 -0.95 4.72 3.00 -0.16 -2.07 116.66 116.53 2ch0 n ARG 15 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.78 2ch0 n ARG 15 Cb 0.34 -2.36 0.00 0.00 0.00 0.00 0.00 32.46 30.45 2ch0 n ARG 15 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 2ch0 n GLN 16 N -2.71 0.00 0.01 -0.14 7.27 -1.25 -4.86 117.38 115.70 2ch0 n GLN 16 Ca 0.00 0.32 -0.09 0.00 0.07 0.00 0.00 57.00 57.29 2ch0 n GLN 16 Cb 0.00 -0.76 0.06 0.00 2.41 0.00 0.00 30.24 31.95 2ch0 n GLN 16 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2ch0 h MET 17 N 0.00 0.54 0.00 3.69 -0.00 -1.93 -3.42 114.93 113.82 2ch0 h MET 17 Ca 0.00 -0.34 -0.05 0.00 -0.00 0.00 0.00 59.70 59.31 2ch0 h MET 17 Cb 0.00 0.04 -0.01 0.00 -0.00 0.00 0.00 31.60 31.63 2ch0 h MET 17 CO 0.00 0.95 -0.22 1.88 -0.00 0.00 0.00 176.91 179.52 2ch0 h TYR 18 N 0.42 0.00 0.00 -0.10 0.05 -1.98 -3.43 116.97 111.93 2ch0 h TYR 18 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.79 2ch0 h TYR 18 Cb 1.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.83 2ch0 h TYR 18 CO 0.04 0.22 0.00 -0.25 -1.05 0.00 0.00 178.16 177.13 2ch0 n ASP 19 N -3.50 0.00 0.20 3.88 8.00 -1.26 -4.75 116.55 119.13 2ch0 n ASP 19 Ca -0.01 0.00 0.18 0.00 0.71 0.00 0.00 54.79 55.67 2ch0 n ASP 19 Cb 0.39 0.00 0.83 0.00 -0.02 0.00 0.00 41.12 42.32 2ch0 n ASP 19 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ch0 h MET 20 N 0.00 0.00 -0.08 -1.24 -0.00 -1.91 -2.69 114.93 109.01 2ch0 h MET 20 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.60 2ch0 h MET 20 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.59 2ch0 h MET 20 CO 0.00 0.00 -0.41 -0.39 -0.00 0.00 0.00 176.91 176.11 2ch0 h VAL 21 N 0.00 1.31 -0.91 -0.10 -1.51 -1.89 -3.35 116.25 109.80 2ch0 h VAL 21 Ca 0.09 -1.49 0.19 0.00 -1.23 0.00 0.00 66.70 64.26 2ch0 h VAL 21 Cb 0.58 1.70 -0.07 0.00 -2.13 0.00 0.00 31.29 31.38 2ch0 h VAL 21 CO -0.00 0.44 0.59 0.58 -1.23 0.00 0.00 177.57 177.95 2ch0 h VAL 22 N 0.14 0.72 0.00 7.19 2.07 -1.77 0.27 116.25 124.88 2ch0 h VAL 22 Ca 0.01 -0.18 -0.14 0.00 0.82 0.00 0.00 66.70 67.21 2ch0 h VAL 22 Cb 0.79 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 2ch0 h VAL 22 CO 0.06 0.09 -0.68 0.07 0.02 0.00 0.00 177.57 177.13 2ch0 h LYS 23 N 0.52 0.00 0.08 1.57 -0.00 -1.80 -3.35 116.57 113.59 2ch0 h LYS 23 Ca 0.48 0.00 -0.29 0.00 -0.00 0.00 0.00 60.65 60.84 2ch0 h LYS 23 Cb 1.03 0.00 0.03 0.00 -0.00 0.00 0.00 32.23 33.28 2ch0 h LYS 23 CO -0.21 0.68 -1.19 0.82 -0.00 0.00 0.00 179.45 179.56 2ch0 h ILE 24 N 0.00 1.28 -0.61 0.07 2.04 -1.00 -3.35 117.51 115.95 2ch0 h ILE 24 Ca -0.01 -2.40 0.18 0.00 1.00 0.00 0.00 64.86 63.63 2ch0 h ILE 24 Cb 1.23 2.60 -0.02 0.00 -0.74 0.00 0.00 36.82 39.88 2ch0 h ILE 24 CO 0.09 0.73 0.44 0.16 0.00 0.00 0.00 178.15 179.57 2ch0 h ILE 25 N 0.31 0.68 -0.38 -0.67 3.07 -0.73 0.14 117.51 119.94 2ch0 h ILE 25 Ca -0.17 0.00 -0.08 0.00 1.55 0.00 0.00 64.86 66.16 2ch0 h ILE 25 Cb 1.85 0.69 -0.02 0.00 -0.27 0.00 0.00 36.82 39.08 2ch0 h ILE 25 CO 0.23 0.00 -0.08 0.44 -1.05 0.00 0.00 178.15 177.69 2ch0 h ASP 26 N 0.00 0.62 -0.18 2.16 3.32 -1.72 -2.38 116.42 118.23 2ch0 h ASP 26 Ca 0.29 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 2ch0 h ASP 26 Cb 1.17 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 2ch0 h ASP 26 CO -0.00 0.74 0.04 -0.37 -1.72 0.00 0.00 179.24 177.93 2ch0 h VAL 27 N 0.59 1.21 0.17 -1.35 -1.51 -1.12 -2.96 116.25 111.27 2ch0 h VAL 27 Ca 0.11 -0.67 -0.01 0.00 -1.23 0.00 0.00 66.70 64.91 2ch0 h VAL 27 Cb 0.49 1.30 0.00 0.00 -2.13 0.00 0.00 31.29 30.96 2ch0 h VAL 27 CO 0.03 0.20 -0.08 -0.07 -1.23 0.00 0.00 177.57 176.42 2ch0 h LEU 28 N 0.10 -0.19 -2.07 4.19 4.07 -1.60 -2.75 115.31 117.05 2ch0 h LEU 28 Ca 0.06 -0.24 0.09 0.00 0.08 0.00 0.00 57.88 57.87 2ch0 h LEU 28 Cb 0.27 0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.05 2ch0 h LEU 28 CO 0.00 0.15 0.25 -0.09 -1.08 0.00 0.00 178.44 177.67 2ch0 h ARG 29 N -0.56 0.00 0.03 1.13 2.43 -1.52 -0.13 114.38 115.77 2ch0 h ARG 29 Ca -0.02 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2ch0 h ARG 29 Cb 0.42 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2ch0 h ARG 29 CO 0.04 0.00 -0.02 1.03 -1.51 0.00 0.00 179.97 179.51 2ch0 h SER 30 N 0.00 -0.04 0.15 -3.80 0.87 -1.57 -1.37 113.55 107.80 2ch0 h SER 30 Ca 0.14 -0.66 -0.07 0.00 -1.23 0.00 0.00 61.79 59.97 2ch0 h SER 30 Cb 0.64 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.60 2ch0 h SER 30 CO -0.00 0.73 -0.25 0.45 -0.53 0.00 0.00 176.83 177.23 2ch0 h HIS 31 N -0.89 0.18 -0.06 2.24 3.86 -1.38 -3.16 115.15 115.95 2ch0 h HIS 31 Ca -0.00 -0.03 -0.20 0.00 -1.16 0.00 0.00 60.37 58.98 2ch0 h HIS 31 Cb 0.70 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 29.12 2ch0 h HIS 31 CO 0.18 0.41 -0.78 -0.91 0.86 0.00 0.00 177.93 177.68 2ch0 h ASN 32 N 0.15 0.51 0.28 2.45 2.35 -1.08 -1.86 115.58 118.38 2ch0 h ASN 32 Ca 0.03 -0.35 -0.15 0.00 -0.55 0.00 0.00 56.30 55.27 2ch0 h ASN 32 Cb 0.52 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 2ch0 h ASN 32 CO 0.04 1.11 -0.59 1.05 -1.65 0.00 0.00 177.43 177.38 2ch0 h GLU 33 N 0.27 0.32 0.00 0.81 4.11 -1.27 -3.02 114.58 115.80 2ch0 h GLU 33 Ca -0.04 -0.21 -0.06 0.00 0.07 0.00 0.00 59.36 59.11 2ch0 h GLU 33 Cb 1.38 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 2ch0 h GLU 33 CO 0.14 0.82 -0.29 0.00 0.07 0.00 0.00 179.01 179.74 2ch0 h ALA 34 N 1.13 1.01 -0.53 1.06 0.00 -1.66 -3.36 119.26 116.92 2ch0 h ALA 34 Ca -0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2ch0 h ALA 34 Cb 1.11 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 2ch0 h ALA 34 CO 0.10 0.37 0.30 0.00 0.00 0.00 0.00 179.25 180.02 2ch0 n GLN 36 N -4.65 0.06 -0.01 0.00 -0.00 -1.26 -1.55 117.38 109.97 2ch0 n GLN 36 Ca 0.03 0.49 0.10 0.00 -0.00 0.00 0.00 57.00 57.62 2ch0 n GLN 36 Cb 0.07 -1.66 -0.15 0.00 -0.00 0.00 0.00 30.24 28.50 2ch0 n GLN 36 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 2ch0 n GLU 37 N -1.77 0.60 -4.61 2.61 4.07 -1.18 -4.27 120.64 116.10 2ch0 n GLU 37 Ca 0.00 -0.16 -0.28 0.00 -0.06 0.00 0.00 57.16 56.66 2ch0 n GLU 37 Cb 0.06 -1.46 -0.08 0.00 -0.06 0.00 0.00 31.44 29.89 2ch0 n GLU 37 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 2ch0 s ASN 38 N -4.12 3.35 -0.10 4.31 0.01 -0.59 -4.16 114.94 113.63 2ch0 s ASN 38 Ca -0.06 -1.64 -0.05 0.00 -0.71 0.00 0.00 52.86 50.41 2ch0 s ASN 38 Cb 0.13 0.44 -0.02 0.00 0.41 0.00 0.00 41.25 42.22 2ch0 s ASN 38 CO 0.82 -0.86 -0.09 0.07 -1.51 0.00 0.00 177.10 175.52 2ch0 h LYS 39 N 1.63 0.00 -1.67 -0.60 5.09 -1.82 -3.37 116.57 115.82 2ch0 h LYS 39 Ca -0.39 0.00 -0.31 0.00 0.09 0.00 0.00 60.65 60.04 2ch0 h LYS 39 Cb 1.29 0.00 -0.27 0.00 0.10 0.00 0.00 32.23 33.34 2ch0 h LYS 39 CO 0.65 0.00 -0.66 0.16 -2.09 0.00 0.00 179.45 177.52 2ch0 s ASP 40 N -5.20 0.26 0.46 7.07 1.47 -1.26 -3.64 116.67 115.83 2ch0 s ASP 40 Ca -0.08 -1.71 0.18 0.00 1.18 0.00 0.00 52.55 52.12 2ch0 s ASP 40 Cb 0.01 0.90 1.12 0.00 -0.34 0.00 0.00 42.92 44.60 2ch0 s ASP 40 CO 0.11 -0.19 2.01 0.17 0.68 0.00 0.00 175.17 177.95 2ch0 h LEU 41 N 6.45 0.00 -3.99 2.11 8.10 -1.89 -2.99 115.31 123.09 2ch0 h LEU 41 Ca 0.09 0.00 -0.65 0.00 0.11 0.00 0.00 57.88 57.43 2ch0 h LEU 41 Cb 1.06 0.00 -0.30 0.00 -0.44 0.00 0.00 40.66 40.99 2ch0 h LEU 41 CO 0.17 0.17 0.80 0.00 -4.11 0.00 0.00 178.44 175.48 2ch0 n GLN 42 N -4.14 2.65 -0.47 0.17 10.64 -1.26 -4.96 117.38 120.00 2ch0 n GLN 42 Ca -0.02 -3.27 0.40 0.00 -1.83 0.00 0.00 57.00 52.27 2ch0 n GLN 42 Cb 0.25 -2.27 0.72 0.00 -0.86 0.00 0.00 30.24 28.08 2ch0 n GLN 42 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.06 174.23 2ch0 h PRO 43 N 1.86 0.06 -1.97 2.61 0.13 -1.82 -2.93 132.00 129.94 2ch0 h PRO 43 Ca 0.61 -0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.69 2ch0 h PRO 43 Cb 1.12 -0.01 -0.19 0.00 0.13 0.00 0.00 31.00 32.04 2ch0 h PRO 43 CO 1.50 0.04 0.22 0.71 -0.23 0.00 0.00 178.00 180.25 2ch0 s TYR 44 N -5.06 -0.63 -0.10 1.56 2.02 -1.26 -4.52 117.35 109.36 2ch0 s TYR 44 Ca -0.06 1.07 -0.07 0.00 -0.37 0.00 0.00 57.07 57.64 2ch0 s TYR 44 Cb 0.26 0.42 0.03 0.00 -0.40 0.00 0.00 41.96 42.27 2ch0 s TYR 44 CO 0.84 -0.59 0.24 -1.64 -1.57 0.00 0.00 175.55 172.83 2ch0 s MET 45 N -1.22 0.24 1.04 -0.62 -1.94 -0.43 -4.95 119.30 111.42 2ch0 s MET 45 Ca -0.10 0.43 -0.16 0.00 -1.71 0.00 0.00 55.69 54.15 2ch0 s MET 45 Cb -0.00 0.01 0.21 0.00 2.01 0.00 0.00 34.83 37.06 2ch0 s MET 45 CO 0.09 -0.10 1.16 -1.25 -0.01 0.00 0.00 175.02 174.91 2ch0 s PRO 46 N 0.68 0.08 0.11 2.03 0.04 -1.26 -1.69 135.00 134.99 2ch0 s PRO 46 Ca -0.05 0.03 -0.23 0.00 0.04 0.00 0.00 61.00 60.80 2ch0 s PRO 46 Cb -0.06 -1.74 -0.07 0.00 0.04 0.00 0.00 34.50 32.67 2ch0 s PRO 46 CO -0.04 -2.86 1.69 0.82 0.04 0.00 0.00 177.00 176.65 2ch0 h ILE 47 N -1.97 0.71 0.00 0.56 2.04 -1.93 0.80 117.51 117.72 2ch0 h ILE 47 Ca -0.48 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.38 2ch0 h ILE 47 Cb 1.30 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 2ch0 h ILE 47 CO 0.46 0.00 0.38 -0.81 0.00 0.00 0.00 178.15 178.19 2ch0 n PRO 48 N -5.24 0.07 -0.03 2.37 -0.05 -1.26 -0.94 135.00 129.91 2ch0 n PRO 48 Ca -0.05 0.53 -0.11 0.00 -0.05 0.00 0.00 63.50 63.83 2ch0 n PRO 48 Cb 0.16 -2.11 -0.04 0.00 -0.05 0.00 0.00 33.50 31.46 2ch0 n PRO 48 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 175.50 176.70 2ch0 h HIS 49 N 0.00 0.22 0.01 0.54 2.76 -1.15 1.13 115.15 118.66 2ch0 h HIS 49 Ca 0.00 -0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 57.96 2ch0 h HIS 49 Cb 0.77 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.65 2ch0 h HIS 49 CO 0.00 0.20 -0.92 0.28 -1.30 0.00 0.00 177.93 176.19 2ch0 h VAL 50 N 0.18 1.48 -0.02 5.26 2.07 -1.68 -2.11 116.25 121.43 2ch0 h VAL 50 Ca 0.06 -2.61 -0.13 0.00 0.82 0.00 0.00 66.70 64.84 2ch0 h VAL 50 Cb 0.04 2.49 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 2ch0 h VAL 50 CO -0.01 0.77 -0.58 0.03 0.02 0.00 0.00 177.57 177.80 2ch0 h ARG 51 N 0.14 0.06 0.01 1.57 3.08 -1.01 -3.19 114.38 115.04 2ch0 h ARG 51 Ca -0.06 -0.04 -0.19 0.00 0.07 0.00 0.00 59.98 59.76 2ch0 h ARG 51 Cb 1.55 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.59 2ch0 h ARG 51 CO 0.14 0.62 -0.87 0.22 -1.07 0.00 0.00 179.97 179.01 2ch0 h ASP 52 N 0.05 0.11 0.00 7.04 1.82 0.13 -3.39 116.42 122.17 2ch0 h ASP 52 Ca -0.00 -0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.54 2ch0 h ASP 52 Cb 1.03 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 41.01 2ch0 h ASP 52 CO 0.08 0.93 0.12 0.28 -1.61 0.00 0.00 179.24 179.04 2ch0 h SER 53 N 0.04 0.00 0.72 2.28 0.02 -1.36 -1.80 113.55 113.45 2ch0 h SER 53 Ca -0.03 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 2ch0 h SER 53 Cb 1.52 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.06 2ch0 h SER 53 CO 0.12 0.00 -0.20 0.17 -1.14 0.00 0.00 176.83 175.79 2ch0 h LEU 54 N 0.00 0.00 -7.08 5.07 -0.00 -1.76 -3.44 115.31 108.09 2ch0 h LEU 54 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 2ch0 h LEU 54 Cb 0.25 0.00 -0.23 0.00 -0.00 0.00 0.00 40.66 40.67 2ch0 h LEU 54 CO 0.00 0.20 -0.16 -0.63 -0.00 0.00 0.00 178.44 177.85 2ch0 s ILE 55 N -3.84 -0.32 0.00 0.15 1.09 -0.68 -5.01 121.20 112.60 2ch0 s ILE 55 Ca -0.01 0.05 -0.22 0.00 -1.10 0.00 0.00 60.65 59.37 2ch0 s ILE 55 Cb 0.11 -0.84 -0.18 0.00 -1.06 0.00 0.00 42.46 40.49 2ch0 s ILE 55 CO 0.62 0.02 1.24 1.56 -0.10 0.00 0.00 174.94 178.28 2ch0 h GLN 56 N 7.43 0.24 0.00 2.79 7.50 -1.86 -3.37 115.11 127.84 2ch0 h GLN 56 Ca -0.27 -0.16 0.00 0.00 0.50 0.00 0.00 58.65 58.72 2ch0 h GLN 56 Cb 1.17 0.02 0.00 0.00 0.05 0.00 0.00 27.48 28.72 2ch0 h GLN 56 CO 0.18 0.75 0.00 -0.35 -1.50 0.00 0.00 178.83 177.91 2ch0 n PRO 57 N -4.59 0.00 0.13 1.46 -0.04 -1.26 -4.78 135.00 125.91 2ch0 n PRO 57 Ca -0.08 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.38 2ch0 n PRO 57 Cb 0.39 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 33.94 2ch0 n PRO 57 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ch0 h HIS 58 N 0.00 0.00 -0.34 0.54 3.86 -2.04 -3.24 115.15 113.94 2ch0 h HIS 58 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2ch0 h HIS 58 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2ch0 h HIS 58 CO 0.00 0.63 0.00 -0.25 0.86 0.00 0.00 177.93 179.17 2ch0 n ASP 59 N -3.45 2.14 -0.24 2.45 8.00 -1.26 -4.68 116.55 119.51 2ch0 n ASP 59 Ca 0.00 -1.91 -0.01 0.00 0.71 0.00 0.00 54.79 53.58 2ch0 n ASP 59 Cb 0.71 -0.23 0.06 0.00 -0.02 0.00 0.00 41.12 41.64 2ch0 n ASP 59 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 2ch0 h ARG 60 N 2.50 -0.05 0.00 -1.24 -0.00 -1.72 -1.34 114.38 112.53 2ch0 h ARG 60 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 59.98 59.93 2ch0 h ARG 60 Cb 0.56 0.01 -0.01 0.00 -0.00 0.00 0.00 29.97 30.54 2ch0 h ARG 60 CO 0.00 -0.03 -0.24 -0.22 -0.00 0.00 0.00 179.97 179.48 2ch0 h LYS 61 N -0.05 0.00 0.00 0.08 3.11 -1.84 -3.38 116.57 114.50 2ch0 h LYS 61 Ca 0.31 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.15 2ch0 h LYS 61 Cb 0.53 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.76 2ch0 h LYS 61 CO -0.73 0.24 0.25 -0.22 -2.81 0.00 0.00 179.45 176.18 2ch0 h LYS 62 N 0.00 0.00 -0.14 1.90 3.11 -1.59 0.21 116.57 120.07 2ch0 h LYS 62 Ca -0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2ch0 h LYS 62 Cb 0.71 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.94 2ch0 h LYS 62 CO 0.03 0.00 0.00 -1.33 -2.81 0.00 0.00 179.45 175.34 2ch0 n MET 63 N -2.71 1.85 0.03 1.90 2.81 -1.26 -4.60 117.12 115.15 2ch0 n MET 63 Ca -0.02 -1.50 -0.09 0.00 -1.81 0.00 0.00 57.70 54.28 2ch0 n MET 63 Cb 0.29 -1.15 0.06 0.00 -0.71 0.00 0.00 33.22 31.71 2ch0 n MET 63 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2ch0 h LYS 64 N 1.25 0.48 -0.84 0.03 3.64 -0.76 -2.19 116.57 118.18 2ch0 h LYS 64 Ca 0.00 -0.33 0.02 0.00 -1.27 0.00 0.00 60.65 59.08 2ch0 h LYS 64 Cb 0.51 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.33 2ch0 h LYS 64 CO 0.00 0.94 0.55 -0.22 -2.27 0.00 0.00 179.45 178.45 2ch0 h LYS 65 N 0.35 1.05 0.01 1.90 3.64 -1.80 -2.15 116.57 119.58 2ch0 h LYS 65 Ca -0.01 -0.06 -0.19 0.00 -1.27 0.00 0.00 60.65 59.12 2ch0 h LYS 65 Cb 1.15 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 2ch0 h LYS 65 CO 0.11 0.70 -0.87 -0.24 -2.27 0.00 0.00 179.45 176.88 2ch0 h VAL 66 N 1.09 1.55 -0.36 2.00 3.04 -1.85 -3.29 116.25 118.43 2ch0 h VAL 66 Ca 0.32 -2.77 -0.00 0.00 -1.01 0.00 0.00 66.70 63.24 2ch0 h VAL 66 Cb -0.05 2.53 -0.02 0.00 -2.01 0.00 0.00 31.29 31.74 2ch0 h VAL 66 CO -0.10 0.80 0.22 -0.25 -1.01 0.00 0.00 177.57 177.24 2ch0 h TRP 67 N 0.05 0.47 -0.93 3.17 2.91 -1.00 0.33 115.95 120.95 2ch0 h TRP 67 Ca -0.03 0.01 0.12 0.00 1.13 0.00 0.00 58.89 60.12 2ch0 h TRP 67 Cb 1.51 -0.16 -0.07 0.00 -0.51 0.00 0.00 29.16 29.93 2ch0 h TRP 67 CO 0.01 0.31 0.59 -0.44 -1.03 0.00 0.00 178.44 177.89 2ch0 h ASP 68 N 0.50 0.79 0.02 2.65 3.32 -1.46 0.28 116.42 122.52 2ch0 h ASP 68 Ca 0.13 0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.14 2ch0 h ASP 68 Cb -0.02 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 39.41 2ch0 h ASP 68 CO -0.03 0.43 -0.33 -0.09 -1.72 0.00 0.00 179.24 177.50 2ch0 h ARG 69 N 0.85 0.19 -0.11 3.56 1.12 -1.52 -3.37 114.38 115.10 2ch0 h ARG 69 Ca 0.45 -0.23 -0.01 0.00 -1.11 0.00 0.00 59.98 59.09 2ch0 h ARG 69 Cb 0.55 0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.57 2ch0 h ARG 69 CO -0.22 1.00 0.02 0.00 -3.11 0.00 0.00 179.97 177.67 2ch0 h ALA 70 N 0.20 1.85 -0.62 2.80 0.00 -0.11 -1.71 119.26 121.66 2ch0 h ALA 70 Ca -0.05 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 54.94 2ch0 h ALA 70 Cb 1.13 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 2ch0 h ALA 70 CO 0.06 0.13 0.42 0.28 0.00 0.00 0.00 179.25 180.14 2ch0 h VAL 71 N 0.15 0.84 -0.01 0.00 2.07 -0.61 -1.81 116.25 116.88 2ch0 h VAL 71 Ca 0.04 -0.11 -0.08 0.00 0.82 0.00 0.00 66.70 67.37 2ch0 h VAL 71 Cb 0.07 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2ch0 h VAL 71 CO -0.00 0.06 -0.37 -0.78 0.02 0.00 0.00 177.57 176.50 2ch0 h ASP 72 N 0.32 0.03 0.19 0.57 3.58 -1.46 0.55 116.42 120.19 2ch0 h ASP 72 Ca 0.29 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.72 2ch0 h ASP 72 Cb 0.71 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.75 2ch0 h ASP 72 CO -0.07 0.40 -0.09 0.15 -2.88 0.00 0.00 179.24 176.74 2ch0 h PHE 73 N 0.02 -0.24 -0.80 0.28 3.57 -1.01 -3.39 116.94 115.37 2ch0 h PHE 73 Ca -0.00 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.52 2ch0 h PHE 73 Cb 0.67 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.45 2ch0 h PHE 73 CO 0.00 -0.07 0.53 1.25 -2.23 0.00 0.00 178.31 177.79 2ch0 h LEU 74 N -1.05 0.87 -0.59 0.59 5.85 -1.23 -2.23 115.31 117.53 2ch0 h LEU 74 Ca -0.03 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2ch0 h LEU 74 Cb 0.28 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.10 2ch0 h LEU 74 CO 0.04 0.61 0.00 0.00 -0.34 0.00 0.00 178.44 178.76 2ch0 n ALA 75 N -2.42 1.21 0.41 1.25 0.00 0.17 -2.72 120.51 118.42 2ch0 n ALA 75 Ca 0.10 0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.73 2ch0 n ALA 75 Cb 0.08 -1.20 0.14 0.00 0.00 0.00 0.00 19.45 18.47 2ch0 n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ch0 h ALA 76 N 2.12 0.64 -1.88 0.00 0.00 -1.60 -3.46 119.26 115.08 2ch0 h ALA 76 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2ch0 h ALA 76 Cb 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 17.63 2ch0 h ALA 76 CO 0.00 0.00 -0.33 0.54 0.00 0.00 0.00 179.25 179.46 2ch0 s ASN 77 N -4.79 -0.55 0.00 0.00 6.03 -1.10 -5.06 114.94 109.47 2ch0 s ASN 77 Ca 0.05 0.86 0.00 0.00 -1.03 0.00 0.00 52.86 52.73 2ch0 s ASN 77 Cb 0.11 1.66 0.00 0.00 -3.03 0.00 0.00 41.25 39.99 2ch0 s ASN 77 CO 0.72 -0.26 0.00 -0.62 -2.03 0.00 0.00 177.10 174.92 2ch0 n GLU 78 N 5.40 0.00 -2.26 3.55 1.02 -1.26 -4.86 120.64 122.23 2ch0 n GLU 78 Ca -0.06 0.18 -0.40 0.00 -0.02 0.00 0.00 57.16 56.86 2ch0 n GLU 78 Cb 0.50 -0.36 0.03 0.00 -0.02 0.00 0.00 31.44 31.59 2ch0 n GLU 78 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2ch0 n SER 79 N 0.00 7.44 -0.20 1.62 3.41 -1.26 -4.81 113.62 119.81 2ch0 n SER 79 Ca 0.00 -3.77 0.01 0.00 -0.26 0.00 0.00 58.87 54.85 2ch0 n SER 79 Cb 0.00 -1.11 0.04 0.00 -0.26 0.00 0.00 64.21 62.88 2ch0 n SER 79 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2ch0 n ARG 80 N -0.31 1.22 -3.68 4.33 1.74 -1.26 -4.64 116.66 114.06 2ch0 n ARG 80 Ca 0.51 -0.31 -0.12 0.00 -0.77 0.00 0.00 57.85 57.15 2ch0 n ARG 80 Cb 0.25 -1.11 -0.09 0.00 -1.02 0.00 0.00 32.46 30.48 2ch0 n ARG 80 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2ch0 s VAL 81 N -1.82 -0.00 0.19 1.55 1.01 -1.26 -4.93 120.40 115.13 2ch0 s VAL 81 Ca 0.06 0.02 0.09 0.00 0.00 0.00 0.00 61.98 62.14 2ch0 s VAL 81 Cb 0.03 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 2ch0 s VAL 81 CO 0.04 0.01 -0.09 0.00 0.00 0.00 0.00 175.10 175.05 2ch0 s ARG 82 N 0.68 2.06 -0.31 2.72 1.04 -0.82 -4.88 118.95 119.44 2ch0 s ARG 82 Ca -0.03 -1.30 -0.11 0.00 -1.04 0.00 0.00 55.73 53.25 2ch0 s ARG 82 Cb -0.05 -2.14 -0.03 0.00 -2.04 0.00 0.00 34.95 30.69 2ch0 s ARG 82 CO -0.05 0.43 0.20 0.99 -0.04 0.00 0.00 175.30 176.83 2ch0 s THR 83 N -1.77 5.16 0.13 4.99 2.01 -1.26 -1.52 115.64 123.38 2ch0 s THR 83 Ca 0.25 -0.07 0.10 0.00 0.31 0.00 0.00 61.69 62.28 2ch0 s THR 83 Cb -0.08 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 2ch0 s THR 83 CO 0.15 0.13 -0.25 -0.70 -0.69 0.00 0.00 174.62 173.27 2ch0 s GLU 84 N 1.72 1.32 -0.43 4.92 2.12 -0.88 -4.93 118.70 122.54 2ch0 s GLU 84 Ca 0.06 -1.30 -0.19 0.00 0.36 0.00 0.00 54.97 53.90 2ch0 s GLU 84 Cb -0.17 -1.72 0.02 0.00 0.26 0.00 0.00 34.13 32.53 2ch0 s GLU 84 CO 0.10 0.40 0.53 0.99 -0.54 0.00 0.00 175.26 176.73 2ch0 s THR 85 N -1.17 4.98 -0.05 -1.70 2.01 -1.26 -1.26 115.64 117.20 2ch0 s THR 85 Ca 0.12 -0.15 -0.16 0.00 0.31 0.00 0.00 61.69 61.82 2ch0 s THR 85 Cb -0.10 -4.11 0.03 0.00 0.01 0.00 0.00 72.50 68.33 2ch0 s THR 85 CO 0.06 -0.50 0.35 -0.60 -0.69 0.00 0.00 174.62 173.25 2ch0 s ARG 86 N 2.43 0.65 -0.31 4.92 6.06 -0.62 -4.92 118.95 127.15 2ch0 s ARG 86 Ca 0.17 0.01 -0.28 0.00 -2.50 0.00 0.00 55.73 53.12 2ch0 s ARG 86 Cb -0.16 0.29 0.01 0.00 0.06 0.00 0.00 34.95 35.16 2ch0 s ARG 86 CO 0.16 -0.16 1.04 0.50 -2.50 0.00 0.00 175.30 174.33 2ch0 s ARG 87 N -0.97 4.07 -0.07 5.12 3.52 -1.26 -2.28 118.95 127.09 2ch0 s ARG 87 Ca -0.10 1.03 -0.02 0.00 -0.13 0.00 0.00 55.73 56.51 2ch0 s ARG 87 Cb -0.04 -3.73 0.03 0.00 -1.56 0.00 0.00 34.95 29.65 2ch0 s ARG 87 CO 0.04 -0.86 0.04 0.96 -0.81 0.00 0.00 175.30 174.67 2ch0 s ILE 88 N 3.54 0.11 -1.10 4.11 -4.36 0.88 -4.78 121.20 119.60 2ch0 s ILE 88 Ca 0.44 0.23 0.00 0.00 -0.26 0.00 0.00 60.65 61.06 2ch0 s ILE 88 Cb -0.13 -0.36 0.00 0.00 1.25 0.00 0.00 42.46 43.22 2ch0 s ILE 88 CO 0.14 0.16 0.00 0.61 0.24 0.00 0.00 174.94 176.10 2ch0 n GLY 89 N 5.23 0.95 1.40 6.27 0.00 -1.26 -2.48 105.19 115.30 2ch0 n GLY 89 Ca -0.05 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2ch0 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ch0 n GLY 90 N -1.53 0.64 2.99 -0.02 0.00 -1.26 -5.08 105.19 100.94 2ch0 n GLY 90 Ca -0.11 -0.08 -0.17 0.00 0.00 0.00 0.00 46.02 45.66 2ch0 n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ch0 s ALA 91 N -2.00 0.59 -0.43 4.61 0.00 -1.03 -5.08 121.76 118.43 2ch0 s ALA 91 Ca 0.00 -0.31 -0.19 0.00 0.00 0.00 0.00 51.96 51.47 2ch0 s ALA 91 Cb 0.00 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.99 2ch0 s ALA 91 CO 0.00 0.15 0.52 0.34 0.00 0.00 0.00 175.76 176.77 2ch0 s ASP 92 N -0.16 6.25 0.39 0.00 2.15 -1.26 -0.08 116.67 123.96 2ch0 s ASP 92 Ca 0.03 -0.54 0.04 0.00 0.43 0.00 0.00 52.55 52.50 2ch0 s ASP 92 Cb -0.03 -2.26 -0.03 0.00 -0.30 0.00 0.00 42.92 40.29 2ch0 s ASP 92 CO -0.00 -0.66 0.10 -0.36 -0.17 0.00 0.00 175.17 174.08 2ch0 s PHE 93 N 2.41 1.84 -0.44 -5.34 0.08 -0.96 -4.86 117.98 110.71 2ch0 s PHE 93 Ca 0.16 -1.17 -0.22 0.00 0.12 0.00 0.00 56.93 55.83 2ch0 s PHE 93 Cb -0.16 -1.22 0.02 0.00 -0.57 0.00 0.00 43.02 41.09 2ch0 s PHE 93 CO 0.16 -0.17 0.71 -0.51 -0.10 0.00 0.00 175.22 175.31 2ch0 s LEU 94 N -3.59 4.38 -0.01 -0.37 1.02 -1.26 -1.59 118.68 117.26 2ch0 s LEU 94 Ca 0.26 -0.22 0.05 0.00 0.02 0.00 0.00 54.13 54.25 2ch0 s LEU 94 Cb 0.04 -2.84 -0.03 0.00 0.02 0.00 0.00 46.19 43.38 2ch0 s LEU 94 CO 0.14 -0.84 -0.17 0.54 0.02 0.00 0.00 176.35 176.04 2ch0 s VAL 95 N 3.04 2.84 -0.20 -1.59 0.11 -0.39 -4.37 120.40 119.85 2ch0 s VAL 95 Ca 0.26 -0.94 -0.09 0.00 -2.93 0.00 0.00 61.98 58.28 2ch0 s VAL 95 Cb -0.13 -2.13 -0.05 0.00 -1.53 0.00 0.00 36.38 32.54 2ch0 s VAL 95 CO 0.21 0.50 0.11 0.26 -3.33 0.00 0.00 175.10 172.84 2ch0 s TRP 96 N -0.79 3.32 0.23 1.54 0.51 -0.68 -2.07 118.94 121.00 2ch0 s TRP 96 Ca 0.13 0.19 -0.05 0.00 -2.12 0.00 0.00 56.10 54.24 2ch0 s TRP 96 Cb -0.10 -2.15 -0.03 0.00 -0.81 0.00 0.00 33.47 30.38 2ch0 s TRP 96 CO 0.02 0.17 0.28 -0.98 -0.51 0.00 0.00 176.95 175.93 2ch0 s ARG 97 N 0.54 1.38 0.04 4.98 1.70 -0.58 -1.31 118.95 125.71 2ch0 s ARG 97 Ca 0.06 -1.52 0.08 0.00 -0.47 0.00 0.00 55.73 53.89 2ch0 s ARG 97 Cb -0.12 0.35 -0.03 0.00 -0.57 0.00 0.00 34.95 34.58 2ch0 s ARG 97 CO 0.00 -0.51 -0.24 -0.46 -1.08 0.00 0.00 175.30 173.02 2ch0 s TRP 98 N -4.03 2.08 -0.29 5.89 -0.00 -1.11 -1.94 118.94 119.54 2ch0 s TRP 98 Ca 0.33 -0.39 -0.03 0.00 -0.00 0.00 0.00 56.10 56.01 2ch0 s TRP 98 Cb 0.04 -1.24 0.04 0.00 -0.00 0.00 0.00 33.47 32.30 2ch0 s TRP 98 CO 0.12 0.11 0.01 0.96 -0.00 0.00 0.00 176.95 178.14 2ch0 s ILE 99 N -0.80 3.15 -0.31 5.86 -4.36 -1.26 -4.67 121.20 118.82 2ch0 s ILE 99 Ca 0.10 -1.21 -0.03 0.00 -0.26 0.00 0.00 60.65 59.26 2ch0 s ILE 99 Cb -0.09 -2.74 0.11 0.00 1.25 0.00 0.00 42.46 40.98 2ch0 s ILE 99 CO 0.02 -0.03 0.14 0.00 0.24 0.00 0.00 174.94 175.31 2ch0 s GLN 100 N 1.31 0.37 0.83 0.37 -2.07 -1.24 -5.06 119.66 114.17 2ch0 s GLN 100 Ca -0.03 -0.79 -0.11 0.00 -1.82 0.00 0.00 55.36 52.61 2ch0 s GLN 100 Cb -0.19 -1.36 0.09 0.00 -1.09 0.00 0.00 33.01 30.46 2ch0 s GLN 100 CO -0.01 -1.05 1.09 -2.14 -1.32 0.00 0.00 175.29 171.86 2ch0 s PRO 101 N 1.80 1.82 -0.05 9.60 0.02 -1.26 -4.52 135.00 142.41 2ch0 s PRO 101 Ca 0.11 0.99 -0.00 0.00 0.02 0.00 0.00 61.00 62.11 2ch0 s PRO 101 Cb -0.18 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.48 2ch0 s PRO 101 CO -0.28 -1.90 0.04 0.45 -0.33 0.00 0.00 177.00 174.98 2ch0 n SER 102 N -3.67 -2.12 -3.54 2.53 2.88 -1.26 -4.52 113.62 103.92 2ch0 n SER 102 Ca 0.08 -0.02 -0.40 0.00 -1.33 0.00 0.00 58.87 57.21 2ch0 n SER 102 Cb 0.54 -0.66 -0.05 0.00 -0.75 0.00 0.00 64.21 63.29 2ch0 n SER 102 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ch0 n ALA 103 N -2.54 3.44 -1.00 -1.46 0.00 -1.26 -4.09 120.51 113.60 2ch0 n ALA 103 Ca 0.00 -3.05 0.00 0.00 0.00 0.00 0.00 53.44 50.39 2ch0 n ALA 103 Cb 0.50 -3.53 0.00 0.00 0.00 0.00 0.00 19.45 16.43 2ch0 n ALA 103 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ch0 n SER 104 N 6.97 0.00 0.00 0.00 2.88 -1.26 -4.87 113.62 117.34 2ch0 n SER 104 Ca 0.48 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 2ch0 n SER 104 Cb 0.36 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 2ch0 n SER 104 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ch0 n ASP 106 N 0.00 0.00 -2.70 0.00 2.03 -1.26 -4.78 116.55 109.84 2ch0 n ASP 106 Ca 0.00 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.18 2ch0 n ASP 106 Cb 0.00 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.35 2ch0 n ASP 106 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2ch0 n LYS 107 N 0.00 1.45 0.00 -0.67 5.02 -1.26 -4.81 118.16 117.89 2ch0 n LYS 107 Ca 0.00 -0.94 0.00 0.00 -2.02 0.00 0.00 58.31 55.35 2ch0 n LYS 107 Cb 0.00 -2.08 0.00 0.00 -0.02 0.00 0.00 35.03 32.93 2ch0 n LYS 107 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2ch0 n ILE 108 N 3.50 0.00 -3.15 -0.18 5.41 -1.26 -4.33 119.36 119.35 2ch0 n ILE 108 Ca 0.31 0.00 0.06 0.00 1.00 0.00 0.00 62.75 64.12 2ch0 n ILE 108 Cb 0.30 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 39.22 2ch0 n ILE 108 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 2ch0 s LEU 109 N 0.00 -0.33 -1.15 1.39 2.96 -1.26 -4.91 118.68 115.37 2ch0 s LEU 109 Ca 0.00 0.10 -0.06 0.00 -0.22 0.00 0.00 54.13 53.96 2ch0 s LEU 109 Cb 0.00 1.23 0.08 0.00 0.50 0.00 0.00 46.19 48.00 2ch0 s LEU 109 CO 0.00 -0.06 2.54 0.52 -1.32 0.00 0.00 176.35 178.03 2ch0 n VAL 110 N 5.26 4.76 -3.67 1.68 0.31 -1.26 -4.74 118.33 120.67 2ch0 n VAL 110 Ca 0.02 -3.85 -0.13 0.00 -0.01 0.00 0.00 64.34 60.37 2ch0 n VAL 110 Cb 0.56 -2.03 -0.08 0.00 -0.91 0.00 0.00 33.84 31.38 2ch0 n VAL 110 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 2ch0 s ILE 111 N -1.00 -0.00 -1.59 2.52 1.10 -1.26 -5.08 121.20 115.89 2ch0 s ILE 111 Ca 0.57 0.00 -0.11 0.00 -0.51 0.00 0.00 60.65 60.60 2ch0 s ILE 111 Cb 0.22 -0.85 -0.07 0.00 0.15 0.00 0.00 42.46 41.92 2ch0 s ILE 111 CO -0.11 0.00 2.84 -0.81 -2.11 0.00 0.00 174.94 174.75 2ch0 n PRO 112 N 2.83 3.55 -1.79 3.50 -0.04 -1.26 -4.33 135.00 137.45 2ch0 n PRO 112 Ca -0.14 -2.25 -0.12 0.00 -0.04 0.00 0.00 63.50 60.95 2ch0 n PRO 112 Cb 0.56 -2.87 0.07 0.00 -0.04 0.00 0.00 33.50 31.22 2ch0 n PRO 112 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ch0 n SER 113 N 3.98 3.44 -0.83 3.54 2.88 -1.26 -4.73 113.62 120.65 2ch0 n SER 113 Ca 0.74 -3.42 0.11 0.00 -1.33 0.00 0.00 58.87 54.97 2ch0 n SER 113 Cb 0.25 -0.40 0.08 0.00 -0.75 0.00 0.00 64.21 63.39 2ch0 n SER 113 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2ch0 n LYS 114 N -0.71 1.94 -1.27 -1.46 4.81 -1.26 -4.53 118.16 115.68 2ch0 n LYS 114 Ca 0.30 -1.71 -0.31 0.00 -0.87 0.00 0.00 58.31 55.72 2ch0 n LYS 114 Cb 0.89 -1.41 0.06 0.00 0.02 0.00 0.00 35.03 34.59 2ch0 n LYS 114 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 2ch0 n VAL 115 N 1.11 3.42 -0.23 3.15 3.14 -1.26 -4.71 118.33 122.94 2ch0 n VAL 115 Ca 0.12 -2.72 0.00 0.00 -2.96 0.00 0.00 64.34 58.79 2ch0 n VAL 115 Cb 0.53 -1.22 0.00 0.00 -1.06 0.00 0.00 33.84 32.09 2ch0 n VAL 115 CO 0.00 0.00 0.00 -2.67 -6.46 0.00 0.00 176.83 167.70 2ch0 n TRP 116 N -0.53 0.00 -4.11 1.45 4.27 -1.26 -5.15 117.44 112.12 2ch0 n TRP 116 Ca 0.54 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 54.01 2ch0 n TRP 116 Cb 0.61 0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 30.44 2ch0 n TRP 116 CO 0.00 0.00 0.00 -0.65 -2.29 0.00 0.00 177.69 174.75 2ch0 s GLN 117 N 3.39 0.65 0.00 -2.67 -1.52 -1.26 -4.95 119.66 113.30 2ch0 s GLN 117 Ca 0.00 -0.92 0.00 0.00 -1.95 0.00 0.00 55.36 52.49 2ch0 s GLN 117 Cb 0.00 -0.39 0.00 0.00 -0.22 0.00 0.00 33.01 32.40 2ch0 s GLN 117 CO 0.00 0.06 0.00 0.41 -0.25 0.00 0.00 175.29 175.51 2ch0 n GLY 118 N 1.11 1.33 0.00 3.09 0.00 -1.26 -4.95 105.19 104.51 2ch0 n GLY 118 Ca -0.20 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2ch0 n GLY 118 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2ch0 n GLN 119 N 0.00 0.00 -2.75 1.61 7.27 -1.26 -4.61 117.38 117.63 2ch0 n GLN 119 Ca 0.00 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.64 2ch0 n GLN 119 Cb 0.00 0.00 -0.00 0.00 2.41 0.00 0.00 30.24 32.65 2ch0 n GLN 119 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2ch0 s ALA 120 N -1.00 3.64 0.00 1.69 0.00 -1.26 -4.50 121.76 120.33 2ch0 s ALA 120 Ca 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 51.96 48.83 2ch0 s ALA 120 Cb 0.00 -4.40 0.00 0.00 0.00 0.00 0.00 23.12 18.72 2ch0 s ALA 120 CO 0.00 -3.05 0.00 0.34 0.00 0.00 0.00 175.76 173.05 2ch0 n PHE 121 N 7.10 0.00 -3.84 0.00 7.35 -1.26 -4.87 117.46 121.94 2ch0 n PHE 121 Ca 0.43 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 57.05 2ch0 n PHE 121 Cb 0.44 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.27 2ch0 n PHE 121 CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 2ch0 s HIS 122 N 0.00 -0.10 0.00 -5.13 2.46 -1.26 -4.78 115.29 106.48 2ch0 s HIS 122 Ca 0.00 -0.39 0.00 0.00 0.47 0.00 0.00 55.06 55.14 2ch0 s HIS 122 Cb 0.00 0.74 0.00 0.00 -0.13 0.00 0.00 32.58 33.19 2ch0 s HIS 122 CO 0.00 -1.28 0.00 1.47 -2.47 0.00 0.00 174.74 172.46 2ch0 n LEU 123 N -0.48 0.00 -3.71 8.88 -0.00 -1.26 -4.61 117.00 115.82 2ch0 n LEU 123 Ca -0.05 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.84 2ch0 n LEU 123 Cb 0.59 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.95 2ch0 n LEU 123 CO 0.18 0.00 0.08 1.51 -0.00 0.00 0.00 177.39 179.16 2ch0 s ASP 124 N 0.35 -0.18 0.94 1.45 -4.77 -1.26 -5.10 116.67 108.11 2ch0 s ASP 124 Ca 0.00 -0.16 0.00 0.00 -3.30 0.00 0.00 52.55 49.09 2ch0 s ASP 124 Cb 0.00 0.39 0.00 0.00 -1.09 0.00 0.00 42.92 42.22 2ch0 s ASP 124 CO 0.00 -0.67 0.00 -1.14 0.70 0.00 0.00 175.17 174.06 2ch0 n ARG 125 N 0.42 0.00 -3.58 2.11 0.63 -1.26 -4.90 116.66 110.08 2ch0 n ARG 125 Ca -0.18 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.68 2ch0 n ARG 125 Cb 0.60 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.48 2ch0 n ARG 125 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2ch0 s ARG 126 N 0.00 0.47 -0.14 -0.14 3.52 -1.26 -5.17 118.95 116.23 2ch0 s ARG 126 Ca 0.00 -0.06 -0.03 0.00 -0.13 0.00 0.00 55.73 55.51 2ch0 s ARG 126 Cb 0.00 0.22 -0.03 0.00 -1.56 0.00 0.00 34.95 33.58 2ch0 s ARG 126 CO 0.00 -0.18 -0.05 -0.51 -0.81 0.00 0.00 175.30 173.75 2ch0 s LEU 127 N -1.76 3.22 0.07 -0.88 1.43 -1.26 -5.01 118.68 114.50 2ch0 s LEU 127 Ca 0.05 -0.12 0.24 0.00 -1.03 0.00 0.00 54.13 53.27 2ch0 s LEU 127 Cb -0.01 -1.76 0.34 0.00 0.03 0.00 0.00 46.19 44.79 2ch0 s LEU 127 CO -0.04 0.20 1.29 -0.62 0.23 0.00 0.00 176.35 177.41 2ch0 n GLU 128 N 3.34 0.21 0.04 1.70 4.71 -1.26 -4.55 120.64 124.83 2ch0 n GLU 128 Ca -0.18 0.05 -0.12 0.00 -0.01 0.00 0.00 57.16 56.90 2ch0 n GLU 128 Cb 0.53 -1.62 -0.09 0.00 -1.01 0.00 0.00 31.44 29.25 2ch0 n GLU 128 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2ch0 h ARG 129 N 0.00 -0.16 -4.15 3.49 -0.00 -2.09 -3.40 114.38 108.08 2ch0 h ARG 129 Ca 0.00 0.01 -0.70 0.00 -0.50 0.00 0.00 59.98 58.79 2ch0 h ARG 129 Cb 0.68 0.04 -0.03 0.00 0.00 0.00 0.00 29.97 30.65 2ch0 h ARG 129 CO 0.00 0.31 3.00 -0.35 0.00 0.00 0.00 179.97 182.93 2ch0 n PRO 130 N -4.91 2.72 -1.51 0.04 -0.04 -1.26 -4.84 135.00 125.20 2ch0 n PRO 130 Ca -0.08 -2.56 -0.36 0.00 -0.04 0.00 0.00 63.50 60.46 2ch0 n PRO 130 Cb 0.27 -3.26 -0.04 0.00 -0.04 0.00 0.00 33.50 30.43 2ch0 n PRO 130 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2ch0 n HIS 131 N 6.40 2.17 -3.06 0.54 -0.00 -1.26 -4.90 115.22 115.11 2ch0 n HIS 131 Ca 0.52 -2.77 -0.45 0.00 0.46 0.00 0.00 57.72 55.48 2ch0 n HIS 131 Cb 0.40 -2.11 -0.02 0.00 -0.12 0.00 0.00 29.99 28.13 2ch0 n HIS 131 CO 0.00 0.00 0.00 0.50 0.46 0.00 0.00 176.34 177.30 2ch0 s ARG 132 N 0.69 3.60 0.00 1.57 6.06 -1.26 -5.27 118.95 124.34 2ch0 s ARG 132 Ca 0.64 -1.99 0.00 0.00 -2.50 0.00 0.00 55.73 51.88 2ch0 s ARG 132 Cb 0.21 -4.75 0.00 0.00 0.06 0.00 0.00 34.95 30.46 2ch0 s ARG 132 CO -0.08 -1.61 0.00 -0.40 -2.50 0.00 0.00 175.30 170.71