#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 1.01 1.61 0.01 -1.26 -5.20 113.70 109.67 2ch0 s SER 2 Ca 0.00 0.08 -0.04 0.00 1.31 0.00 0.00 55.95 57.30 2ch0 s SER 2 Cb 0.00 0.19 0.06 0.00 0.21 0.00 0.00 66.02 66.48 2ch0 s SER 2 CO 0.00 -0.28 0.31 -2.65 0.41 0.00 0.00 173.24 171.04 2ch0 n PRO 3 N 0.14 -0.47 -4.37 12.44 -0.02 -1.26 -5.12 135.00 136.34 2ch0 n PRO 3 Ca -0.03 -0.48 -0.24 0.00 -2.02 0.00 0.00 63.50 60.73 2ch0 n PRO 3 Cb 0.59 -0.34 -0.09 0.00 -0.02 0.00 0.00 33.50 33.64 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 -3.69 2.00 -0.18 -0.52 -1.05 -1.26 -5.05 118.70 108.95 2ch0 s GLU 4 Ca 0.18 -1.56 0.13 0.00 -0.15 0.00 0.00 54.97 53.57 2ch0 s GLU 4 Cb -0.01 -1.99 0.38 0.00 -0.44 0.00 0.00 34.13 32.08 2ch0 s GLU 4 CO 0.13 0.36 1.20 1.19 0.95 0.00 0.00 175.26 179.08 2ch0 n PHE 5 N -0.69 0.00 0.03 4.83 3.72 -1.26 -4.67 117.46 119.42 2ch0 n PHE 5 Ca -0.06 -1.34 0.12 0.00 -0.05 0.00 0.00 57.45 56.12 2ch0 n PHE 5 Cb 0.59 -0.22 0.25 0.00 -0.94 0.00 0.00 39.48 39.16 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 -1.14 2.58 0.00 -1.08 1.74 -1.26 -4.39 116.66 113.12 2ch0 n ARG 6 Ca 0.18 -2.42 0.00 0.00 -0.77 0.00 0.00 57.85 54.84 2ch0 n ARG 6 Cb 0.69 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.61 2ch0 n ARG 6 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 2ch0 n TRP 7 N 1.52 0.00 0.70 -1.55 4.27 -1.26 -4.70 117.44 116.42 2ch0 n TRP 7 Ca 0.21 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 53.95 2ch0 n TRP 7 Cb 0.61 0.00 0.45 0.00 -1.36 0.00 0.00 31.31 31.01 2ch0 n TRP 7 CO 0.00 0.00 0.00 0.25 -2.29 0.00 0.00 177.69 175.65 2ch0 n THR 8 N 0.00 0.48 0.18 -1.67 -2.24 -1.26 -2.96 114.28 106.81 2ch0 n THR 8 Ca 0.00 -0.21 0.04 0.00 -2.27 0.00 0.00 64.05 61.61 2ch0 n THR 8 Cb 0.00 -0.58 0.35 0.00 -2.10 0.00 0.00 70.33 67.99 2ch0 n THR 8 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2ch0 h LYS 9 N 0.00 0.00 0.00 -0.78 1.79 -1.91 -3.27 116.57 112.40 2ch0 h LYS 9 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2ch0 h LYS 9 Cb 0.68 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 2ch0 h LYS 9 CO 0.00 0.40 0.16 -1.91 -1.08 0.00 0.00 179.45 177.01 2ch0 n GLU 10 N -3.74 0.11 0.21 3.15 4.07 -1.16 -1.06 120.64 122.23 2ch0 n GLU 10 Ca -0.01 0.60 0.06 0.00 -0.06 0.00 0.00 57.16 57.74 2ch0 n GLU 10 Cb 0.48 -2.02 0.47 0.00 -0.06 0.00 0.00 31.44 30.30 2ch0 n GLU 10 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 2ch0 h GLU 11 N 0.00 0.00 -0.01 5.31 4.39 -1.82 -3.25 114.58 119.20 2ch0 h GLU 11 Ca 0.00 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.54 2ch0 h GLU 11 Cb 0.31 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 2ch0 h GLU 11 CO 0.00 0.28 -0.75 1.05 -1.16 0.00 0.00 179.01 178.43 2ch0 h GLU 12 N 0.00 0.11 -0.25 2.33 4.11 -1.37 -3.37 114.58 116.14 2ch0 h GLU 12 Ca -0.00 -0.10 -0.01 0.00 0.07 0.00 0.00 59.36 59.32 2ch0 h GLU 12 Cb 0.55 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2ch0 h GLU 12 CO 0.04 0.80 0.10 1.49 0.07 0.00 0.00 179.01 181.51 2ch0 h GLU 13 N 0.07 0.38 0.00 1.06 4.57 -1.73 -3.34 114.58 115.58 2ch0 h GLU 13 Ca -0.02 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.05 2ch0 h GLU 13 Cb 1.32 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.84 2ch0 h GLU 13 CO 0.11 0.41 -0.21 0.00 -1.18 0.00 0.00 179.01 178.13 2ch0 h THR 14 N 0.26 1.13 0.00 0.32 1.03 -1.71 -3.17 112.91 110.77 2ch0 h THR 14 Ca 0.08 -0.74 0.00 0.00 -0.01 0.00 0.00 66.41 65.74 2ch0 h THR 14 Cb 0.17 1.40 0.00 0.00 -1.07 0.00 0.00 68.15 68.65 2ch0 h THR 14 CO -0.01 0.21 0.00 -2.11 -0.01 0.00 0.00 175.52 173.60 2ch0 n ARG 15 N -4.25 0.89 -0.00 0.00 1.85 -1.25 -1.75 116.66 112.14 2ch0 n ARG 15 Ca -0.02 0.00 0.05 0.00 -1.00 0.00 0.00 57.85 56.88 2ch0 n ARG 15 Cb 0.27 -1.40 -0.06 0.00 -1.05 0.00 0.00 32.46 30.22 2ch0 n ARG 15 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 2ch0 n GLN 16 N 0.00 3.18 -0.07 2.89 7.27 -1.20 -4.62 117.38 124.84 2ch0 n GLN 16 Ca 0.00 -0.01 -0.13 0.00 0.07 0.00 0.00 57.00 56.94 2ch0 n GLN 16 Cb 0.20 -1.04 -0.00 0.00 2.41 0.00 0.00 30.24 31.81 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 0.80 0.00 3.69 -0.00 -1.58 -3.37 114.93 114.47 2ch0 h MET 17 Ca 0.00 -0.48 0.00 0.00 -0.00 0.00 0.00 59.70 59.22 2ch0 h MET 17 Cb 0.28 0.04 0.00 0.00 -0.00 0.00 0.00 31.60 31.92 2ch0 h MET 17 CO 0.00 1.11 0.30 1.88 -0.00 0.00 0.00 176.91 180.20 2ch0 h TYR 18 N 0.63 0.00 0.00 -0.10 0.05 -1.82 -1.55 116.97 114.18 2ch0 h TYR 18 Ca 0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.81 2ch0 h TYR 18 Cb 1.08 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.82 2ch0 h TYR 18 CO 0.06 0.00 0.00 -3.47 -1.05 0.00 0.00 178.16 173.70 2ch0 n ASP 19 N -2.37 0.00 0.14 3.88 2.03 -1.26 -4.72 116.55 114.25 2ch0 n ASP 19 Ca -0.01 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.31 2ch0 n ASP 19 Cb 0.33 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 40.82 2ch0 n ASP 19 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ch0 h MET 20 N 0.00 0.00 -0.03 -0.67 -0.00 -1.83 -3.38 114.93 109.03 2ch0 h MET 20 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 59.70 59.53 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 0.56 -0.75 -0.39 -0.00 0.00 0.00 176.91 176.33 2ch0 h VAL 21 N 0.00 1.45 -0.85 -0.10 -1.51 -1.60 -3.35 116.25 110.30 2ch0 h VAL 21 Ca -0.01 -2.35 0.21 0.00 -1.23 0.00 0.00 66.70 63.32 2ch0 h VAL 21 Cb 1.30 2.27 -0.05 0.00 -2.13 0.00 0.00 31.29 32.67 2ch0 h VAL 21 CO 0.07 0.69 0.58 1.62 -1.23 0.00 0.00 177.57 179.30 2ch0 h VAL 22 N 0.13 0.66 0.00 7.19 3.04 -1.74 0.98 116.25 126.51 2ch0 h VAL 22 Ca -0.03 -0.09 -0.11 0.00 -1.01 0.00 0.00 66.70 65.47 2ch0 h VAL 22 Cb 1.32 0.38 -0.02 0.00 -2.01 0.00 0.00 31.29 30.97 2ch0 h VAL 22 CO 0.11 0.05 -0.51 0.07 -1.01 0.00 0.00 177.57 176.29 2ch0 h LYS 23 N 0.26 0.00 0.04 4.17 -0.00 -1.85 -3.36 116.57 115.84 2ch0 h LYS 23 Ca 0.43 0.00 -0.27 0.00 -0.00 0.00 0.00 60.65 60.81 2ch0 h LYS 23 Cb 1.25 0.00 0.02 0.00 -0.00 0.00 0.00 32.23 33.50 2ch0 h LYS 23 CO -0.11 0.51 -1.09 0.82 -0.00 0.00 0.00 179.45 179.58 2ch0 h ILE 24 N 0.00 1.32 -0.59 0.07 2.04 -1.01 -3.34 117.51 116.01 2ch0 h ILE 24 Ca -0.01 -2.39 0.17 0.00 1.00 0.00 0.00 64.86 63.64 2ch0 h ILE 24 Cb 1.11 2.50 -0.02 0.00 -0.74 0.00 0.00 36.82 39.66 2ch0 h ILE 24 CO 0.07 0.73 0.42 0.16 0.00 0.00 0.00 178.15 179.53 2ch0 h ILE 25 N 0.31 0.70 0.00 -0.67 3.07 -1.57 0.84 117.51 120.19 2ch0 h ILE 25 Ca -0.13 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.28 2ch0 h ILE 25 Cb 1.74 0.70 0.00 0.00 -0.27 0.00 0.00 36.82 39.00 2ch0 h ILE 25 CO 0.20 0.00 0.00 0.44 -1.05 0.00 0.00 178.15 177.74 2ch0 h ASP 26 N 0.00 0.00 -0.11 2.16 3.32 -1.76 -3.22 116.42 116.81 2ch0 h ASP 26 Ca 0.28 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.28 2ch0 h ASP 26 Cb 1.13 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.67 2ch0 h ASP 26 CO -0.00 0.00 -0.11 -0.37 -1.72 0.00 0.00 179.24 177.03 2ch0 h VAL 27 N 0.00 1.36 0.15 -1.35 -1.51 -1.01 -3.26 116.25 110.63 2ch0 h VAL 27 Ca 0.00 -1.27 -0.01 0.00 -1.23 0.00 0.00 66.70 64.19 2ch0 h VAL 27 Cb 0.28 1.94 0.00 0.00 -2.13 0.00 0.00 31.29 31.38 2ch0 h VAL 27 CO 0.00 0.36 -0.07 -0.07 -1.23 0.00 0.00 177.57 176.56 2ch0 h LEU 28 N -0.12 -0.18 -2.06 4.19 -0.00 -1.70 -3.34 115.31 112.10 2ch0 h LEU 28 Ca 0.02 -0.37 0.11 0.00 -0.00 0.00 0.00 57.88 57.64 2ch0 h LEU 28 Cb 0.63 0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 41.32 2ch0 h LEU 28 CO 0.03 0.37 0.35 0.03 -0.00 0.00 0.00 178.44 179.22 2ch0 h ARG 29 N -0.83 0.00 0.01 1.13 3.08 -1.76 -3.01 114.38 113.00 2ch0 h ARG 29 Ca -0.02 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 2ch0 h ARG 29 Cb 0.53 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.59 2ch0 h ARG 29 CO 0.03 0.00 -0.23 0.77 -1.07 0.00 0.00 179.97 179.47 2ch0 h SER 30 N 0.00 0.18 0.57 7.04 0.02 -1.69 -3.13 113.55 116.55 2ch0 h SER 30 Ca 0.18 -0.83 -0.15 0.00 -0.84 0.00 0.00 61.79 60.15 2ch0 h SER 30 Cb 0.88 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.34 2ch0 h SER 30 CO -0.00 0.99 -0.66 0.45 -1.14 0.00 0.00 176.83 176.47 2ch0 h HIS 31 N -0.60 0.11 -0.86 3.45 3.86 -1.68 -3.32 115.15 116.11 2ch0 h HIS 31 Ca -0.03 -0.05 0.19 0.00 -1.16 0.00 0.00 60.37 59.32 2ch0 h HIS 31 Cb 1.04 -0.02 -0.06 0.00 1.06 0.00 0.00 27.41 29.43 2ch0 h HIS 31 CO 0.20 0.72 0.57 -0.91 0.86 0.00 0.00 177.93 179.37 2ch0 h ASN 32 N 0.06 0.40 0.02 2.45 2.35 -1.60 0.62 115.58 119.87 2ch0 h ASN 32 Ca -0.01 0.04 -0.19 0.00 -0.55 0.00 0.00 56.30 55.58 2ch0 h ASN 32 Cb 1.18 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.51 2ch0 h ASN 32 CO 0.09 0.18 -0.69 1.05 -1.65 0.00 0.00 177.43 176.41 2ch0 h GLU 33 N 0.41 0.61 0.00 0.81 4.11 -1.64 -3.23 114.58 115.65 2ch0 h GLU 33 Ca 0.44 -0.46 -0.08 0.00 0.07 0.00 0.00 59.36 59.33 2ch0 h GLU 33 Cb 1.07 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 2ch0 h GLU 33 CO -0.16 1.08 -0.38 0.00 0.07 0.00 0.00 179.01 179.63 2ch0 h ALA 34 N 0.79 0.95 -0.38 1.06 0.00 -1.60 -3.37 119.26 116.71 2ch0 h ALA 34 Ca -0.02 -0.34 0.08 0.00 0.00 0.00 0.00 54.91 54.62 2ch0 h ALA 34 Cb 1.28 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2ch0 h ALA 34 CO 0.13 0.47 0.26 0.00 0.00 0.00 0.00 179.25 180.12 2ch0 n GLN 36 N -4.46 0.08 -0.00 0.00 -0.00 -1.26 -1.31 117.38 110.42 2ch0 n GLN 36 Ca 0.05 0.53 0.04 0.00 -0.00 0.00 0.00 57.00 57.62 2ch0 n GLN 36 Cb 0.35 -2.01 -0.06 0.00 -0.00 0.00 0.00 30.24 28.52 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 -1.93 1.69 -4.35 2.61 4.07 -1.19 -4.37 120.64 117.17 2ch0 n GLU 37 Ca -0.01 -0.05 -0.23 0.00 -0.06 0.00 0.00 57.16 56.81 2ch0 n GLU 37 Cb 0.28 -1.09 -0.11 0.00 -0.06 0.00 0.00 31.44 30.46 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 -2.54 2.86 -0.01 4.31 0.01 -0.43 -4.30 114.94 114.85 2ch0 s ASN 38 Ca -0.01 -0.85 -0.24 0.00 -0.71 0.00 0.00 52.86 51.05 2ch0 s ASN 38 Cb 0.06 -0.18 -0.15 0.00 0.41 0.00 0.00 41.25 41.38 2ch0 s ASN 38 CO 0.34 0.01 1.09 0.07 -1.51 0.00 0.00 177.10 177.11 2ch0 h LYS 39 N 3.29 -0.45 -1.78 -0.60 5.09 -1.82 -3.43 116.57 116.88 2ch0 h LYS 39 Ca -0.44 0.03 -0.33 0.00 0.09 0.00 0.00 60.65 60.01 2ch0 h LYS 39 Cb 1.21 0.10 -0.29 0.00 0.10 0.00 0.00 32.23 33.35 2ch0 h LYS 39 CO 0.49 -0.12 -0.66 0.16 -2.09 0.00 0.00 179.45 177.23 2ch0 s ASP 40 N -5.05 0.63 0.46 7.07 1.47 -1.26 -3.51 116.67 116.48 2ch0 s ASP 40 Ca -0.13 -1.61 0.15 0.00 1.18 0.00 0.00 52.55 52.14 2ch0 s ASP 40 Cb 0.02 0.78 1.06 0.00 -0.34 0.00 0.00 42.92 44.43 2ch0 s ASP 40 CO 0.49 -0.22 2.03 0.17 0.68 0.00 0.00 175.17 178.31 2ch0 h LEU 41 N 6.79 0.00 -3.47 2.11 -0.00 -1.86 -2.90 115.31 115.98 2ch0 h LEU 41 Ca 0.07 0.00 -0.36 0.00 -0.00 0.00 0.00 57.88 57.59 2ch0 h LEU 41 Cb 1.07 0.00 -0.16 0.00 -0.00 0.00 0.00 40.66 41.57 2ch0 h LEU 41 CO 0.18 0.14 0.46 1.67 -0.00 0.00 0.00 178.44 180.89 2ch0 n GLN 42 N -4.36 1.88 -0.51 0.17 -0.06 -1.26 -4.95 117.38 108.29 2ch0 n GLN 42 Ca -0.03 -1.77 0.41 0.00 -2.00 0.00 0.00 57.00 53.62 2ch0 n GLN 42 Cb 0.21 -1.70 0.70 0.00 -4.06 0.00 0.00 30.24 25.40 2ch0 n GLN 42 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 2ch0 h PRO 43 N 1.37 0.05 -3.23 3.69 0.13 -1.85 -3.34 132.00 128.81 2ch0 h PRO 43 Ca 0.34 -0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.41 2ch0 h PRO 43 Cb 1.10 -0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.09 2ch0 h PRO 43 CO 0.83 0.03 -0.02 0.71 -0.23 0.00 0.00 178.00 179.32 2ch0 s TYR 44 N -5.17 -0.29 -0.02 1.56 1.51 -1.26 -4.68 117.35 109.00 2ch0 s TYR 44 Ca -0.07 0.05 -0.05 0.00 -1.01 0.00 0.00 57.07 56.00 2ch0 s TYR 44 Cb 0.29 0.31 0.00 0.00 -0.11 0.00 0.00 41.96 42.45 2ch0 s TYR 44 CO 0.84 -0.71 0.11 0.00 -1.11 0.00 0.00 175.55 174.68 2ch0 s MET 45 N -3.52 0.30 1.02 -0.62 0.23 -0.30 -4.98 119.30 111.43 2ch0 s MET 45 Ca 0.01 -0.15 -0.17 0.00 -1.03 0.00 0.00 55.69 54.35 2ch0 s MET 45 Cb 0.01 0.13 0.23 0.00 -1.53 0.00 0.00 34.83 33.66 2ch0 s MET 45 CO -0.10 -0.06 1.30 -1.25 -2.03 0.00 0.00 175.02 172.88 2ch0 s PRO 46 N -0.69 0.18 0.02 3.16 0.04 -1.26 -1.83 135.00 134.62 2ch0 s PRO 46 Ca -0.08 -0.41 -0.25 0.00 0.04 0.00 0.00 61.00 60.30 2ch0 s PRO 46 Cb -0.05 -1.79 -0.17 0.00 0.04 0.00 0.00 34.50 32.53 2ch0 s PRO 46 CO 0.01 -2.72 1.37 0.82 0.04 0.00 0.00 177.00 176.51 2ch0 h ILE 47 N -1.86 0.90 0.00 0.56 2.04 -1.96 -3.15 117.51 114.04 2ch0 h ILE 47 Ca -0.44 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 64.85 2ch0 h ILE 47 Cb 1.23 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 38.55 2ch0 h ILE 47 CO 0.34 0.13 0.38 1.55 0.00 0.00 0.00 178.15 180.55 2ch0 h PRO 48 N -0.55 0.00 -0.16 2.37 0.14 -1.96 -1.76 132.00 130.08 2ch0 h PRO 48 Ca -0.03 0.00 -0.00 0.00 0.14 0.00 0.00 66.00 66.11 2ch0 h PRO 48 Cb 0.41 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 31.54 2ch0 h PRO 48 CO 0.04 0.00 0.09 1.25 0.14 0.00 0.00 178.00 179.53 2ch0 h HIS 49 N 0.00 0.21 -0.04 1.56 -0.00 -1.93 0.96 115.15 115.91 2ch0 h HIS 49 Ca 0.00 -0.00 -0.18 0.00 -0.00 0.00 0.00 60.37 60.19 2ch0 h HIS 49 Cb 0.76 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 28.09 2ch0 h HIS 49 CO 0.00 0.18 -0.76 -0.39 -0.00 0.00 0.00 177.93 176.96 2ch0 h VAL 50 N 0.18 1.43 -0.08 5.26 -1.51 -1.65 -3.04 116.25 116.84 2ch0 h VAL 50 Ca 0.06 -2.30 -0.07 0.00 -1.23 0.00 0.00 66.70 63.16 2ch0 h VAL 50 Cb 0.04 2.24 -0.01 0.00 -2.13 0.00 0.00 31.29 31.42 2ch0 h VAL 50 CO -0.01 0.68 -0.26 0.03 -1.23 0.00 0.00 177.57 176.78 2ch0 h ARG 51 N 0.18 0.13 0.00 5.19 3.08 -1.22 -3.11 114.38 118.62 2ch0 h ARG 51 Ca -0.03 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2ch0 h ARG 51 Cb 1.34 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.38 2ch0 h ARG 51 CO 0.12 0.39 0.06 -3.47 -1.07 0.00 0.00 179.97 176.00 2ch0 n ASP 52 N -4.19 0.41 0.04 7.04 2.03 0.33 -2.68 116.55 119.54 2ch0 n ASP 52 Ca -0.01 0.66 0.04 0.00 0.52 0.00 0.00 54.79 56.00 2ch0 n ASP 52 Cb 0.34 -0.70 -0.07 0.00 -0.72 0.00 0.00 41.12 39.97 2ch0 n ASP 52 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2ch0 n SER 53 N -2.06 0.75 0.24 1.67 2.88 -1.17 -4.57 113.62 111.36 2ch0 n SER 53 Ca -0.01 0.32 0.11 0.00 -1.33 0.00 0.00 58.87 57.96 2ch0 n SER 53 Cb 0.08 0.43 0.55 0.00 -0.75 0.00 0.00 64.21 64.52 2ch0 n SER 53 CO 0.00 0.00 0.00 0.17 -1.23 0.00 0.00 175.04 173.98 2ch0 h LEU 54 N 0.00 0.00 -7.22 2.46 -0.00 -1.66 -3.44 115.31 105.44 2ch0 h LEU 54 Ca -0.12 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.67 2ch0 h LEU 54 Cb 1.40 0.00 -0.19 0.00 -0.00 0.00 0.00 40.66 41.87 2ch0 h LEU 54 CO 0.03 0.19 -0.01 -0.63 -0.00 0.00 0.00 178.44 178.01 2ch0 s ILE 55 N -3.80 0.03 -0.20 0.15 1.09 -1.25 -4.93 121.20 112.29 2ch0 s ILE 55 Ca -0.00 -0.21 -0.17 0.00 -1.10 0.00 0.00 60.65 59.16 2ch0 s ILE 55 Cb 0.11 -0.84 -0.13 0.00 -1.06 0.00 0.00 42.46 40.53 2ch0 s ILE 55 CO 0.62 -0.12 0.03 0.00 -0.10 0.00 0.00 174.94 175.36 2ch0 n GLN 56 N 1.01 0.53 0.00 2.79 1.13 -1.26 -4.51 117.38 117.08 2ch0 n GLN 56 Ca -0.20 0.52 0.00 0.00 -1.94 0.00 0.00 57.00 55.38 2ch0 n GLN 56 Cb 0.57 -1.70 0.00 0.00 0.11 0.00 0.00 30.24 29.22 2ch0 n GLN 56 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2ch0 n PRO 57 N -4.47 0.00 0.13 -1.09 -0.04 -1.26 -4.71 135.00 123.56 2ch0 n PRO 57 Ca -0.27 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.19 2ch0 n PRO 57 Cb 0.58 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.14 2ch0 n PRO 57 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2ch0 h HIS 58 N 0.00 0.00 -0.20 0.54 -0.00 -2.05 -3.21 115.15 110.22 2ch0 h HIS 58 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2ch0 h HIS 58 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2ch0 h HIS 58 CO 0.00 0.63 0.00 -0.25 -0.00 0.00 0.00 177.93 178.31 2ch0 n ASP 59 N -3.47 1.39 -0.30 3.26 8.00 -1.26 -4.59 116.55 119.59 2ch0 n ASP 59 Ca 0.00 -1.82 0.13 0.00 0.71 0.00 0.00 54.79 53.81 2ch0 n ASP 59 Cb 0.71 -0.13 0.29 0.00 -0.02 0.00 0.00 41.12 41.96 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 1.68 0.26 0.00 -1.24 -0.00 -1.78 0.02 114.38 113.32 2ch0 h ARG 60 Ca 0.00 -0.02 -0.05 0.00 -0.00 0.00 0.00 59.98 59.91 2ch0 h ARG 60 Cb 0.38 -0.06 -0.01 0.00 -0.00 0.00 0.00 29.97 30.28 2ch0 h ARG 60 CO 0.00 0.17 -0.26 -0.22 -0.00 0.00 0.00 179.97 179.66 2ch0 h LYS 61 N 0.27 0.00 0.00 0.08 3.11 -1.86 -3.34 116.57 114.82 2ch0 h LYS 61 Ca 0.55 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.39 2ch0 h LYS 61 Cb 1.09 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.32 2ch0 h LYS 61 CO -0.61 0.26 0.32 -0.22 -2.81 0.00 0.00 179.45 176.40 2ch0 h LYS 62 N 0.00 0.00 -0.15 1.90 3.64 -1.31 0.22 116.57 120.87 2ch0 h LYS 62 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2ch0 h LYS 62 Cb 0.76 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 2ch0 h LYS 62 CO 0.03 0.00 0.00 -1.33 -2.27 0.00 0.00 179.45 175.88 2ch0 n MET 63 N -2.76 2.44 -0.02 1.90 2.81 -1.26 -4.61 117.12 115.62 2ch0 n MET 63 Ca -0.02 -1.64 -0.14 0.00 -1.81 0.00 0.00 57.70 54.09 2ch0 n MET 63 Cb 0.37 -1.14 -0.02 0.00 -0.71 0.00 0.00 33.22 31.72 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 1.07 0.71 -0.30 0.03 3.64 -0.77 -1.96 116.57 118.98 2ch0 h LYS 64 Ca 0.00 -0.52 -0.06 0.00 -1.27 0.00 0.00 60.65 58.81 2ch0 h LYS 64 Cb 0.56 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 2ch0 h LYS 64 CO 0.00 1.14 -0.05 -0.22 -2.27 0.00 0.00 179.45 178.05 2ch0 h LYS 65 N 0.51 0.48 -0.01 1.90 1.63 -1.80 -2.86 116.57 116.43 2ch0 h LYS 65 Ca -0.02 -0.11 -0.18 0.00 -0.85 0.00 0.00 60.65 59.48 2ch0 h LYS 65 Cb 1.26 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.82 2ch0 h LYS 65 CO 0.13 0.55 -0.81 0.28 -3.45 0.00 0.00 179.45 176.16 2ch0 h VAL 66 N 0.46 1.48 -0.89 2.00 2.07 -1.82 -3.33 116.25 116.22 2ch0 h VAL 66 Ca 0.09 -2.50 0.10 0.00 0.82 0.00 0.00 66.70 65.22 2ch0 h VAL 66 Cb 0.38 2.37 -0.07 0.00 -1.52 0.00 0.00 31.29 32.46 2ch0 h VAL 66 CO 0.02 0.73 0.58 -0.25 0.02 0.00 0.00 177.57 178.66 2ch0 h TRP 67 N 0.10 0.95 -0.99 1.57 2.91 -1.11 0.25 115.95 119.63 2ch0 h TRP 67 Ca -0.03 0.03 0.12 0.00 1.13 0.00 0.00 58.89 60.13 2ch0 h TRP 67 Cb 1.41 -0.31 -0.08 0.00 -0.51 0.00 0.00 29.16 29.67 2ch0 h TRP 67 CO 0.02 0.43 0.62 0.22 -1.03 0.00 0.00 178.44 178.70 2ch0 h ASP 68 N 0.87 0.90 0.05 2.65 3.58 -1.67 0.38 116.42 123.18 2ch0 h ASP 68 Ca 0.42 0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.92 2ch0 h ASP 68 Cb 0.44 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.36 2ch0 h ASP 68 CO -0.18 0.48 -0.03 -0.09 -2.88 0.00 0.00 179.24 176.54 2ch0 h ARG 69 N 0.97 -0.07 -0.76 0.28 9.65 -1.62 -3.39 114.38 119.45 2ch0 h ARG 69 Ca 0.49 0.00 0.20 0.00 -1.10 0.00 0.00 59.98 59.57 2ch0 h ARG 69 Cb 0.48 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.04 2ch0 h ARG 69 CO -0.27 0.50 0.53 0.00 2.80 0.00 0.00 179.97 183.53 2ch0 h ALA 70 N -0.30 2.48 -0.84 2.80 0.00 -0.10 -1.92 119.26 121.39 2ch0 h ALA 70 Ca -0.01 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.04 2ch0 h ALA 70 Cb 0.60 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.31 2ch0 h ALA 70 CO 0.01 -0.70 0.41 0.28 0.00 0.00 0.00 179.25 179.25 2ch0 h VAL 71 N 0.16 0.70 -0.98 0.00 2.07 -0.44 -3.05 116.25 114.70 2ch0 h VAL 71 Ca 0.37 -0.20 0.13 0.00 0.82 0.00 0.00 66.70 67.83 2ch0 h VAL 71 Cb 1.23 0.07 -0.09 0.00 -1.52 0.00 0.00 31.29 30.98 2ch0 h VAL 71 CO -0.06 0.11 0.60 -0.78 0.02 0.00 0.00 177.57 177.46 2ch0 h ASP 72 N 0.58 0.85 0.35 0.57 3.58 -1.54 0.15 116.42 120.96 2ch0 h ASP 72 Ca 0.46 0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.96 2ch0 h ASP 72 Cb 0.68 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.63 2ch0 h ASP 72 CO -0.38 0.42 -0.17 -0.26 -2.88 0.00 0.00 179.24 175.97 2ch0 h PHE 73 N 0.91 -0.44 0.02 0.28 0.04 -1.70 -3.23 116.94 112.81 2ch0 h PHE 73 Ca 0.50 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 61.26 2ch0 h PHE 73 Cb 0.57 0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.86 2ch0 h PHE 73 CO -0.02 -0.13 -0.01 -0.07 -0.60 0.00 0.00 178.31 177.48 2ch0 h LEU 74 N -1.00 -0.02 -0.69 1.54 3.38 -1.57 -3.25 115.31 113.71 2ch0 h LEU 74 Ca -0.05 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2ch0 h LEU 74 Cb 0.51 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2ch0 h LEU 74 CO 0.08 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.64 2ch0 n ALA 75 N -2.12 1.35 1.84 1.53 0.00 0.53 -2.27 120.51 121.36 2ch0 n ALA 75 Ca -0.07 0.08 0.06 0.00 0.00 0.00 0.00 53.44 53.51 2ch0 n ALA 75 Cb 0.06 -1.27 0.30 0.00 0.00 0.00 0.00 19.45 18.53 2ch0 n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ch0 n ALA 76 N -1.68 2.55 -1.75 0.00 0.00 -1.22 -4.44 120.51 113.97 2ch0 n ALA 76 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2ch0 n ALA 76 Cb 0.12 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.42 2ch0 n ALA 76 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2ch0 n ASN 77 N -0.47 0.00 -3.64 0.00 2.85 -0.96 -5.12 115.26 107.91 2ch0 n ASN 77 Ca 0.09 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.53 2ch0 n ASN 77 Cb 0.08 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.09 2ch0 n ASN 77 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 2ch0 s GLU 78 N 0.00 0.71 -0.14 1.20 4.04 -1.26 -5.19 118.70 118.06 2ch0 s GLU 78 Ca 0.00 -0.36 -0.09 0.00 0.04 0.00 0.00 54.97 54.56 2ch0 s GLU 78 Cb 0.00 0.26 0.05 0.00 0.02 0.00 0.00 34.13 34.46 2ch0 s GLU 78 CO 0.00 -0.32 0.35 -1.54 -1.84 0.00 0.00 175.26 171.91 2ch0 s SER 79 N -2.76 -0.41 0.00 0.83 1.04 -1.26 -4.78 113.70 106.35 2ch0 s SER 79 Ca 0.11 0.74 0.00 0.00 0.48 0.00 0.00 55.95 57.29 2ch0 s SER 79 Cb 0.01 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.78 2ch0 s SER 79 CO -0.03 -0.17 0.98 0.54 0.98 0.00 0.00 173.24 175.54 2ch0 n ARG 80 N 3.96 0.91 -3.66 4.02 1.74 -1.26 -4.62 116.66 117.76 2ch0 n ARG 80 Ca -0.22 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.76 2ch0 n ARG 80 Cb 0.55 -1.04 -0.08 0.00 -1.02 0.00 0.00 32.46 30.87 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 0.09 -0.00 -0.11 1.55 1.01 -1.26 -4.93 120.40 116.75 2ch0 s VAL 81 Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.97 2ch0 s VAL 81 Cb 0.00 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.47 2ch0 s VAL 81 CO 0.00 0.01 -0.01 -0.60 0.00 0.00 0.00 175.10 174.50 2ch0 s ARG 82 N 1.03 3.27 -0.21 2.72 3.00 -0.89 -4.91 118.95 122.97 2ch0 s ARG 82 Ca -0.06 -0.44 -0.18 0.00 -1.00 0.00 0.00 55.73 54.06 2ch0 s ARG 82 Cb -0.05 -2.86 -0.03 0.00 0.00 0.00 0.00 34.95 32.00 2ch0 s ARG 82 CO -0.10 0.52 0.49 0.99 0.00 0.00 0.00 175.30 177.21 2ch0 s THR 83 N -0.39 5.12 0.12 4.11 2.01 -1.26 -1.52 115.64 123.83 2ch0 s THR 83 Ca 0.07 0.89 0.08 0.00 0.31 0.00 0.00 61.69 63.04 2ch0 s THR 83 Cb -0.12 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 2ch0 s THR 83 CO 0.02 0.19 -0.19 -0.70 -0.69 0.00 0.00 174.62 173.24 2ch0 s GLU 84 N 1.62 1.14 -0.44 4.92 2.12 -0.16 -4.93 118.70 122.98 2ch0 s GLU 84 Ca 0.23 -1.23 -0.22 0.00 0.36 0.00 0.00 54.97 54.11 2ch0 s GLU 84 Cb -0.15 -1.31 0.02 0.00 0.26 0.00 0.00 34.13 32.95 2ch0 s GLU 84 CO 0.09 0.29 0.72 0.95 -0.54 0.00 0.00 175.26 176.77 2ch0 s THR 85 N -1.48 4.74 0.00 -1.70 -4.23 -1.26 -0.97 115.64 110.73 2ch0 s THR 85 Ca 0.09 0.30 -0.00 0.00 -1.18 0.00 0.00 61.69 60.89 2ch0 s THR 85 Cb -0.08 -4.26 -0.00 0.00 1.34 0.00 0.00 72.50 69.49 2ch0 s THR 85 CO 0.05 -0.65 0.00 -0.60 -0.54 0.00 0.00 174.62 172.88 2ch0 s ARG 86 N 3.05 0.04 -0.29 3.99 6.06 -0.88 -4.93 118.95 126.00 2ch0 s ARG 86 Ca 0.26 -0.06 -0.19 0.00 -2.50 0.00 0.00 55.73 53.24 2ch0 s ARG 86 Cb -0.13 0.02 -0.02 0.00 0.06 0.00 0.00 34.95 34.88 2ch0 s ARG 86 CO 0.21 -0.01 0.55 0.50 -2.50 0.00 0.00 175.30 174.05 2ch0 s ARG 87 N -0.17 3.95 -0.06 5.12 3.52 -1.26 -2.15 118.95 127.90 2ch0 s ARG 87 Ca -0.02 0.24 -0.00 0.00 -0.13 0.00 0.00 55.73 55.82 2ch0 s ARG 87 Cb -0.01 -3.70 0.03 0.00 -1.56 0.00 0.00 34.95 29.70 2ch0 s ARG 87 CO -0.00 -0.46 -0.01 0.96 -0.81 0.00 0.00 175.30 174.97 2ch0 s ILE 88 N 2.42 0.41 -1.18 4.11 -0.00 0.57 -4.77 121.20 122.76 2ch0 s ILE 88 Ca 0.22 0.03 0.00 0.00 -0.00 0.00 0.00 60.65 60.90 2ch0 s ILE 88 Cb -0.15 -0.51 0.00 0.00 -0.00 0.00 0.00 42.46 41.79 2ch0 s ILE 88 CO 0.11 0.23 0.00 0.61 -0.00 0.00 0.00 174.94 175.89 2ch0 n GLY 89 N 4.66 1.15 1.53 6.27 0.00 -1.26 -2.34 105.19 115.20 2ch0 n GLY 89 Ca -0.15 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.56 0.58 2.92 -0.02 0.00 -1.26 -5.08 105.19 100.77 2ch0 n GLY 90 Ca -0.11 -0.35 -0.18 0.00 0.00 0.00 0.00 46.02 45.37 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 0.53 -0.35 4.61 0.00 -0.99 -5.09 121.76 118.47 2ch0 s ALA 91 Ca 0.00 -0.10 -0.19 0.00 0.00 0.00 0.00 51.96 51.67 2ch0 s ALA 91 Cb 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 23.12 22.85 2ch0 s ALA 91 CO 0.00 0.04 0.54 -0.51 0.00 0.00 0.00 175.76 175.84 2ch0 s ASP 92 N 0.45 6.34 0.46 0.00 1.11 -1.26 -0.31 116.67 123.46 2ch0 s ASP 92 Ca -0.05 0.01 0.03 0.00 0.18 0.00 0.00 52.55 52.72 2ch0 s ASP 92 Cb -0.09 -2.28 -0.03 0.00 1.07 0.00 0.00 42.92 41.59 2ch0 s ASP 92 CO -0.00 -0.51 0.03 -0.36 1.18 0.00 0.00 175.17 175.51 2ch0 s PHE 93 N 2.47 1.96 -0.44 4.23 0.08 -0.91 -4.86 117.98 120.51 2ch0 s PHE 93 Ca 0.20 -0.98 -0.19 0.00 0.12 0.00 0.00 56.93 56.08 2ch0 s PHE 93 Cb -0.15 -1.52 0.03 0.00 -0.57 0.00 0.00 43.02 40.81 2ch0 s PHE 93 CO 0.14 0.14 0.55 -0.51 -0.10 0.00 0.00 175.22 175.43 2ch0 s LEU 94 N -3.76 4.74 0.02 -0.37 1.02 -1.26 -2.08 118.68 116.99 2ch0 s LEU 94 Ca 0.17 -0.58 0.06 0.00 0.02 0.00 0.00 54.13 53.79 2ch0 s LEU 94 Cb 0.04 -2.53 -0.03 0.00 0.02 0.00 0.00 46.19 43.68 2ch0 s LEU 94 CO 0.09 -0.71 -0.15 0.54 0.02 0.00 0.00 176.35 176.14 2ch0 s VAL 95 N 2.48 3.03 0.08 -1.59 0.11 -0.15 -4.41 120.40 119.96 2ch0 s VAL 95 Ca 0.17 -1.01 0.02 0.00 -2.93 0.00 0.00 61.98 58.22 2ch0 s VAL 95 Cb -0.16 -2.27 -0.04 0.00 -1.53 0.00 0.00 36.38 32.38 2ch0 s VAL 95 CO 0.15 0.39 0.16 0.26 -3.33 0.00 0.00 175.10 172.73 2ch0 s TRP 96 N -0.91 3.36 0.00 1.54 0.51 -0.76 -0.98 118.94 121.70 2ch0 s TRP 96 Ca 0.15 0.15 -0.27 0.00 -2.12 0.00 0.00 56.10 54.01 2ch0 s TRP 96 Cb -0.11 -1.68 0.06 0.00 -0.81 0.00 0.00 33.47 30.94 2ch0 s TRP 96 CO 0.05 0.55 0.62 -0.98 -0.51 0.00 0.00 176.95 176.68 2ch0 s ARG 97 N -2.55 1.07 0.07 4.98 1.70 -0.58 -1.15 118.95 122.50 2ch0 s ARG 97 Ca 0.32 0.03 0.08 0.00 -0.47 0.00 0.00 55.73 55.70 2ch0 s ARG 97 Cb -0.12 0.50 -0.03 0.00 -0.57 0.00 0.00 34.95 34.73 2ch0 s ARG 97 CO 0.25 -0.37 -0.23 1.67 -1.08 0.00 0.00 175.30 175.55 2ch0 s TRP 98 N -1.83 1.97 -0.47 5.89 -0.00 -1.25 -2.09 118.94 121.16 2ch0 s TRP 98 Ca -0.08 -0.39 -0.25 0.00 -0.00 0.00 0.00 56.10 55.37 2ch0 s TRP 98 Cb -0.01 -1.14 0.03 0.00 -0.00 0.00 0.00 33.47 32.36 2ch0 s TRP 98 CO 0.04 0.16 0.93 0.96 -0.00 0.00 0.00 176.95 179.04 2ch0 s ILE 99 N -0.93 4.46 -0.30 0.66 -0.00 -1.26 -4.59 121.20 119.24 2ch0 s ILE 99 Ca 0.09 0.72 -0.04 0.00 -0.00 0.00 0.00 60.65 61.41 2ch0 s ILE 99 Cb -0.09 -4.45 0.03 0.00 -0.00 0.00 0.00 42.46 37.95 2ch0 s ILE 99 CO 0.03 -0.86 0.04 -1.10 -0.00 0.00 0.00 174.94 173.05 2ch0 s GLN 100 N 3.79 2.72 0.13 0.37 -1.52 -1.23 -5.06 119.66 118.85 2ch0 s GLN 100 Ca 0.37 -1.09 -0.31 0.00 -1.95 0.00 0.00 55.36 52.37 2ch0 s GLN 100 Cb -0.10 -3.28 -0.09 0.00 -0.22 0.00 0.00 33.01 29.32 2ch0 s GLN 100 CO 0.26 -0.55 1.47 -2.14 -0.25 0.00 0.00 175.29 174.07 2ch0 s PRO 101 N 1.37 4.27 0.00 2.91 0.02 -1.26 -4.75 135.00 137.56 2ch0 s PRO 101 Ca -0.01 2.19 0.00 0.00 0.02 0.00 0.00 61.00 63.20 2ch0 s PRO 101 Cb -0.19 -3.23 0.00 0.00 0.02 0.00 0.00 34.50 31.10 2ch0 s PRO 101 CO 0.00 -0.52 0.00 0.45 -0.33 0.00 0.00 177.00 176.61 2ch0 n SER 102 N 4.05 -0.44 -3.22 2.53 2.88 -1.26 -4.25 113.62 113.91 2ch0 n SER 102 Ca 0.13 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.58 2ch0 n SER 102 Cb 0.41 0.45 0.04 0.00 -0.75 0.00 0.00 64.21 64.36 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 0.64 0.39 -2.03 -1.46 0.00 -1.26 -4.03 120.51 112.76 2ch0 n ALA 103 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.55 2ch0 n ALA 103 Cb 0.00 0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.66 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 -2.79 0.00 0.00 0.00 2.88 -1.26 -4.74 113.62 107.71 2ch0 n SER 104 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 2ch0 n SER 104 Cb 0.26 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 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 3.33 -4.69 0.00 8.00 -1.26 -5.08 116.55 116.86 2ch0 n ASP 106 Ca 0.00 -3.41 -0.34 0.00 0.71 0.00 0.00 54.79 51.75 2ch0 n ASP 106 Cb 0.00 -0.62 -0.09 0.00 -0.02 0.00 0.00 41.12 40.39 2ch0 n ASP 106 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2ch0 s LYS 107 N -2.72 2.93 0.00 -1.24 2.20 -1.26 -5.05 119.74 114.59 2ch0 s LYS 107 Ca 0.43 -0.47 0.00 0.00 -0.36 0.00 0.00 55.97 55.57 2ch0 s LYS 107 Cb 0.22 -2.76 0.00 0.00 -1.51 0.00 0.00 37.83 33.79 2ch0 s LYS 107 CO -0.08 0.68 0.00 1.51 -0.36 0.00 0.00 175.35 177.10 2ch0 n ILE 108 N 1.89 0.00 -3.74 5.43 0.00 -1.26 -4.85 119.36 116.84 2ch0 n ILE 108 Ca -0.17 0.30 -0.13 0.00 0.00 0.00 0.00 62.75 62.74 2ch0 n ILE 108 Cb 0.53 -1.28 -0.10 0.00 0.00 0.00 0.00 39.64 38.80 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 -4.12 0.56 0.00 9.51 2.96 -1.26 -4.80 118.68 121.53 2ch0 s LEU 109 Ca 0.00 0.58 0.29 0.00 -0.22 0.00 0.00 54.13 54.78 2ch0 s LEU 109 Cb 0.00 1.36 1.35 0.00 0.50 0.00 0.00 46.19 49.40 2ch0 s LEU 109 CO 0.00 -0.24 1.91 0.55 -1.32 0.00 0.00 176.35 177.25 2ch0 n VAL 110 N 2.33 0.00 -3.96 1.68 3.14 -1.26 -4.55 118.33 115.71 2ch0 n VAL 110 Ca -0.16 -0.14 -0.30 0.00 -2.96 0.00 0.00 64.34 60.78 2ch0 n VAL 110 Cb 0.57 0.08 -0.14 0.00 -1.06 0.00 0.00 33.84 33.29 2ch0 n VAL 110 CO 0.00 0.00 0.00 -0.51 -6.46 0.00 0.00 176.83 169.86 2ch0 s ILE 111 N -2.08 2.49 -1.51 1.55 1.10 -1.26 -5.05 121.20 116.44 2ch0 s ILE 111 Ca 0.40 -3.07 -0.12 0.00 -0.51 0.00 0.00 60.65 57.34 2ch0 s ILE 111 Cb 0.21 -2.75 -0.02 0.00 0.15 0.00 0.00 42.46 40.05 2ch0 s ILE 111 CO 0.37 -0.75 2.52 -0.81 -2.11 0.00 0.00 174.94 174.16 2ch0 n PRO 112 N 3.39 3.16 -4.48 3.50 -0.04 -1.26 -4.85 135.00 134.41 2ch0 n PRO 112 Ca 0.05 -2.41 -0.25 0.00 -0.04 0.00 0.00 63.50 60.85 2ch0 n PRO 112 Cb 0.34 -3.08 -0.17 0.00 -0.04 0.00 0.00 33.50 30.56 2ch0 n PRO 112 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2ch0 s SER 113 N 2.82 1.79 -0.47 3.54 0.01 -1.26 -5.06 113.70 115.08 2ch0 s SER 113 Ca 0.56 -0.29 0.07 0.00 1.31 0.00 0.00 55.95 57.60 2ch0 s SER 113 Cb 0.16 -0.81 0.39 0.00 0.21 0.00 0.00 66.02 65.96 2ch0 s SER 113 CO -0.07 0.01 1.00 1.17 0.41 0.00 0.00 173.24 175.76 2ch0 n LYS 114 N 3.96 2.90 -0.55 12.44 0.00 -1.26 -5.01 118.16 130.64 2ch0 n LYS 114 Ca -0.22 -4.39 -0.10 0.00 0.00 0.00 0.00 58.31 53.60 2ch0 n LYS 114 Cb 0.51 -2.08 -0.06 0.00 0.00 0.00 0.00 35.03 33.40 2ch0 n LYS 114 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 2ch0 n VAL 115 N -0.29 1.72 0.69 3.15 0.24 -1.26 -4.36 118.33 118.21 2ch0 n VAL 115 Ca 0.32 -0.92 0.11 0.00 -2.04 0.00 0.00 64.34 61.80 2ch0 n VAL 115 Cb 0.59 -1.85 0.02 0.00 -1.47 0.00 0.00 33.84 31.13 2ch0 n VAL 115 CO 0.00 0.00 0.00 1.87 -2.14 0.00 0.00 176.83 176.56 2ch0 n TRP 116 N 3.22 0.16 -4.60 6.34 -0.00 -1.26 -4.93 117.44 116.37 2ch0 n TRP 116 Ca 0.27 0.05 -0.28 0.00 -0.00 0.00 0.00 57.50 57.54 2ch0 n TRP 116 Cb 0.36 -0.33 -0.09 0.00 -0.00 0.00 0.00 31.31 31.25 2ch0 n TRP 116 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 2ch0 s GLN 117 N -3.15 1.96 -0.17 5.87 -0.21 -1.26 -5.13 119.66 117.58 2ch0 s GLN 117 Ca 0.05 -2.18 -0.29 0.00 0.02 0.00 0.00 55.36 52.96 2ch0 s GLN 117 Cb 0.15 -1.20 -0.00 0.00 1.00 0.00 0.00 33.01 32.96 2ch0 s GLN 117 CO 0.81 -0.28 1.06 0.20 -2.12 0.00 0.00 175.29 174.96 2ch0 s GLY 118 N -3.69 1.92 -1.13 3.09 0.00 -1.26 -4.97 107.32 101.27 2ch0 s GLY 118 Ca 0.23 0.29 -0.07 0.00 0.00 0.00 0.00 44.72 45.18 2ch0 s GLY 118 CO 0.12 2.14 2.42 -1.06 0.00 0.00 0.00 173.10 176.72 2ch0 n GLN 119 N 5.88 2.62 -1.00 2.90 1.13 -1.26 -4.80 117.38 122.85 2ch0 n GLN 119 Ca 0.11 -1.69 -0.17 0.00 -1.94 0.00 0.00 57.00 53.31 2ch0 n GLN 119 Cb 0.47 -2.55 -0.12 0.00 0.11 0.00 0.00 30.24 28.14 2ch0 n GLN 119 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2ch0 n ALA 120 N 3.94 6.27 -0.62 -1.58 0.00 -1.26 -4.90 120.51 122.37 2ch0 n ALA 120 Ca 0.56 -2.10 0.00 0.00 0.00 0.00 0.00 53.44 51.90 2ch0 n ALA 120 Cb 0.18 -2.57 0.00 0.00 0.00 0.00 0.00 19.45 17.06 2ch0 n ALA 120 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2ch0 n PHE 121 N 2.83 0.00 -2.73 0.00 3.72 -1.26 -0.15 117.46 119.87 2ch0 n PHE 121 Ca 0.48 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.80 2ch0 n PHE 121 Cb 0.69 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 39.33 2ch0 n PHE 121 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 2ch0 n HIS 122 N 0.00 -2.23 -2.16 1.38 -0.00 -1.26 -4.96 115.22 105.99 2ch0 n HIS 122 Ca 0.00 -2.14 0.00 0.00 0.46 0.00 0.00 57.72 56.04 2ch0 n HIS 122 Cb 0.00 1.38 0.00 0.00 -0.12 0.00 0.00 29.99 31.25 2ch0 n HIS 122 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2ch0 n LEU 123 N -0.19 -1.78 -4.27 0.27 4.77 -0.96 -5.03 117.00 109.81 2ch0 n LEU 123 Ca 0.02 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.57 2ch0 n LEU 123 Cb 0.79 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2ch0 n LEU 123 CO 0.00 0.00 1.97 -0.67 -1.33 0.00 0.00 177.39 177.36 2ch0 n ASP 124 N 1.02 4.81 0.00 -1.43 2.03 0.79 -4.71 116.55 119.07 2ch0 n ASP 124 Ca 0.00 -2.95 0.00 0.00 0.52 0.00 0.00 54.79 52.36 2ch0 n ASP 124 Cb 0.44 -1.65 0.00 0.00 -0.72 0.00 0.00 41.12 39.20 2ch0 n ASP 124 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2ch0 n ARG 125 N 6.58 0.00 0.00 -0.67 0.63 -1.26 -4.56 116.66 117.38 2ch0 n ARG 125 Ca 0.45 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.38 2ch0 n ARG 125 Cb 0.42 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.33 2ch0 n ARG 125 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2ch0 n ARG 126 N 0.00 1.00 -0.85 -0.14 3.00 -1.26 -2.80 116.66 115.61 2ch0 n ARG 126 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.85 57.79 2ch0 n ARG 126 Cb 0.00 -1.24 -0.05 0.00 0.00 0.00 0.00 32.46 31.17 2ch0 n ARG 126 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2ch0 n LEU 127 N 0.26 -0.71 -4.19 0.55 7.94 -1.26 -4.69 117.00 114.90 2ch0 n LEU 127 Ca 0.00 -1.66 -0.40 0.00 -1.11 0.00 0.00 56.01 52.84 2ch0 n LEU 127 Cb 0.38 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.25 2ch0 n LEU 127 CO 0.00 1.33 -0.01 -1.61 -1.11 0.00 0.00 177.39 175.99 2ch0 s GLU 128 N 0.00 2.48 0.00 1.96 2.02 -1.12 -4.83 118.70 119.20 2ch0 s GLU 128 Ca 0.00 -1.92 0.00 0.00 0.02 0.00 0.00 54.97 53.07 2ch0 s GLU 128 Cb 0.00 -3.88 0.00 0.00 0.10 0.00 0.00 34.13 30.35 2ch0 s GLU 128 CO 0.00 -1.18 0.00 0.54 0.02 0.00 0.00 175.26 174.64 2ch0 n ARG 129 N 4.60 0.00 -1.28 1.61 1.74 -1.26 -4.68 116.66 117.39 2ch0 n ARG 129 Ca -0.03 0.03 -0.38 0.00 -0.77 0.00 0.00 57.85 56.71 2ch0 n ARG 129 Cb 0.41 -0.51 -0.03 0.00 -1.02 0.00 0.00 32.46 31.31 2ch0 n ARG 129 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2ch0 n PRO 130 N -2.42 3.47 0.04 5.56 -0.04 -1.26 -4.55 135.00 135.81 2ch0 n PRO 130 Ca 0.00 -2.15 0.06 0.00 -0.04 0.00 0.00 63.50 61.37 2ch0 n PRO 130 Cb 0.00 -2.80 -0.08 0.00 -0.04 0.00 0.00 33.50 30.58 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 3.84 0.66 0.00 0.54 -0.00 -1.26 -5.02 115.22 113.97 2ch0 n HIS 131 Ca 0.74 0.20 0.00 0.00 0.46 0.00 0.00 57.72 59.12 2ch0 n HIS 131 Cb 0.23 -0.89 0.00 0.00 -0.12 0.00 0.00 29.99 29.21 2ch0 n HIS 131 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 2ch0 n ARG 132 N -2.64 0.00 0.00 1.57 0.63 -1.26 -5.24 116.66 109.72 2ch0 n ARG 132 Ca -0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.86 2ch0 n ARG 132 Cb 0.69 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.60 2ch0 n ARG 132 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65