#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 -0.50 0.98 1.61 0.15 -1.26 -5.19 113.70 109.49 2ch0 s SER 2 Ca 0.00 0.82 -0.16 0.00 0.70 0.00 0.00 55.95 57.31 2ch0 s SER 2 Cb 0.00 0.84 0.20 0.00 -1.71 0.00 0.00 66.02 65.35 2ch0 s SER 2 CO 0.00 -0.31 1.30 -2.84 1.20 0.00 0.00 173.24 172.59 2ch0 s PRO 3 N -0.27 0.54 0.34 5.44 0.02 -1.26 -5.11 135.00 134.70 2ch0 s PRO 3 Ca -0.04 -0.35 0.07 0.00 0.02 0.00 0.00 61.00 60.70 2ch0 s PRO 3 Cb -0.03 -1.83 -0.02 0.00 0.02 0.00 0.00 34.50 32.64 2ch0 s PRO 3 CO 0.03 -2.49 0.41 -1.21 -0.33 0.00 0.00 177.00 173.41 2ch0 s GLU 4 N -5.83 2.97 -1.21 5.54 2.02 -1.26 -5.05 118.70 115.89 2ch0 s GLU 4 Ca 0.73 -1.12 -0.13 0.00 0.02 0.00 0.00 54.97 54.47 2ch0 s GLU 4 Cb -0.05 -2.69 0.18 0.00 0.10 0.00 0.00 34.13 31.67 2ch0 s GLU 4 CO 0.53 0.07 1.44 0.34 0.02 0.00 0.00 175.26 177.66 2ch0 n PHE 5 N -1.55 4.90 -1.45 1.61 7.35 -1.26 -4.90 117.46 122.17 2ch0 n PHE 5 Ca -0.01 -3.37 -0.31 0.00 -0.76 0.00 0.00 57.45 53.00 2ch0 n PHE 5 Cb 0.59 -2.15 0.03 0.00 0.35 0.00 0.00 39.48 38.30 2ch0 n PHE 5 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 2ch0 n ARG 6 N 5.37 2.48 0.00 -4.13 3.00 -1.26 -4.82 116.66 117.29 2ch0 n ARG 6 Ca 0.36 -2.83 0.00 0.00 -0.00 0.00 0.00 57.85 55.38 2ch0 n ARG 6 Cb 0.42 -2.12 0.00 0.00 0.00 0.00 0.00 32.46 30.76 2ch0 n ARG 6 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.63 174.96 2ch0 n TRP 7 N -0.19 0.00 0.76 -0.14 4.27 -1.26 -2.73 117.44 118.14 2ch0 n TRP 7 Ca 0.51 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 54.25 2ch0 n TRP 7 Cb 0.50 0.00 0.46 0.00 -1.36 0.00 0.00 31.31 30.91 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 0.36 0.25 -1.67 -2.24 -1.26 -2.89 114.28 106.82 2ch0 n THR 8 Ca 0.00 -0.18 0.10 0.00 -2.27 0.00 0.00 64.05 61.70 2ch0 n THR 8 Cb 0.00 -0.50 0.64 0.00 -2.10 0.00 0.00 70.33 68.37 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 1.57 -1.88 -3.28 116.57 112.20 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 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 2ch0 h LYS 9 CO 0.00 0.16 0.21 -1.91 -0.57 0.00 0.00 179.45 177.34 2ch0 n GLU 10 N -3.79 0.09 0.20 3.15 2.13 -1.11 -0.25 120.64 121.07 2ch0 n GLU 10 Ca -0.02 0.56 0.03 0.00 0.66 0.00 0.00 57.16 58.40 2ch0 n GLU 10 Cb 0.27 -2.01 0.41 0.00 0.27 0.00 0.00 31.44 30.38 2ch0 n GLU 10 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2ch0 h GLU 11 N 0.00 0.00 -0.04 5.31 5.08 -1.84 -2.90 114.58 120.19 2ch0 h GLU 11 Ca 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 2ch0 h GLU 11 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2ch0 h GLU 11 CO 0.00 0.31 -0.85 0.93 -1.00 0.00 0.00 179.01 178.40 2ch0 h GLU 12 N 0.00 0.44 -0.06 2.33 5.08 -0.90 -3.29 114.58 118.18 2ch0 h GLU 12 Ca -0.00 -0.42 -0.12 0.00 -1.00 0.00 0.00 59.36 57.82 2ch0 h GLU 12 Cb 0.54 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2ch0 h GLU 12 CO 0.04 1.07 -0.50 0.93 -1.00 0.00 0.00 179.01 179.54 2ch0 h GLU 13 N 0.28 0.16 0.01 2.33 4.39 -1.66 -3.40 114.58 116.69 2ch0 h GLU 13 Ca -0.06 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.55 2ch0 h GLU 13 Cb 1.46 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.12 2ch0 h GLU 13 CO 0.15 0.63 -0.00 1.79 -1.16 0.00 0.00 179.01 180.42 2ch0 h THR 14 N 0.13 1.25 0.00 1.13 1.35 -1.57 -3.49 112.91 111.71 2ch0 h THR 14 Ca 0.00 -1.90 0.00 0.00 -0.55 0.00 0.00 66.41 63.97 2ch0 h THR 14 Cb 0.94 2.34 0.00 0.00 -1.73 0.00 0.00 68.15 69.70 2ch0 h THR 14 CO 0.07 0.42 0.00 -1.14 -0.25 0.00 0.00 175.52 174.62 2ch0 n ARG 15 N -4.68 0.00 -0.79 4.72 0.63 -1.21 -4.59 116.66 110.75 2ch0 n ARG 15 Ca -0.07 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 56.86 2ch0 n ARG 15 Cb 0.33 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.24 2ch0 n ARG 15 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2ch0 n GLN 16 N 1.59 0.00 0.16 -0.14 10.64 -1.26 -2.16 117.38 126.20 2ch0 n GLN 16 Ca 0.00 -0.96 -0.10 0.00 -1.83 0.00 0.00 57.00 54.11 2ch0 n GLN 16 Cb 0.00 -0.11 -0.06 0.00 -0.86 0.00 0.00 30.24 29.21 2ch0 n GLN 16 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.06 175.75 2ch0 h MET 17 N 0.22 -0.46 0.12 2.61 2.86 -1.96 -3.39 114.93 114.93 2ch0 h MET 17 Ca -0.13 0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 2ch0 h MET 17 Cb 1.41 0.10 0.00 0.00 0.06 0.00 0.00 31.60 33.17 2ch0 h MET 17 CO -0.02 -0.18 -0.06 0.10 1.06 0.00 0.00 176.91 177.81 2ch0 h TYR 18 N -1.02 -0.15 0.00 -0.22 -0.00 -1.93 -3.44 116.97 110.20 2ch0 h TYR 18 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.68 2ch0 h TYR 18 Cb 0.49 0.05 0.00 0.00 0.00 0.00 0.00 36.73 37.27 2ch0 h TYR 18 CO 0.03 -0.09 0.00 -3.47 -0.00 0.00 0.00 178.16 174.63 2ch0 n ASP 19 N -4.13 0.00 0.21 0.10 2.03 -1.26 -4.78 116.55 108.72 2ch0 n ASP 19 Ca -0.02 0.00 0.18 0.00 0.52 0.00 0.00 54.79 55.47 2ch0 n ASP 19 Cb 0.06 0.00 0.84 0.00 -0.72 0.00 0.00 41.12 41.30 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 -0.52 -0.67 -0.00 -1.98 -1.57 114.93 110.19 2ch0 h MET 20 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 59.70 59.76 2ch0 h MET 20 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.57 2ch0 h MET 20 CO 0.00 0.00 0.35 -0.39 -0.00 0.00 0.00 176.91 176.87 2ch0 h VAL 21 N 0.00 0.99 -0.96 -0.10 -1.51 -1.91 -3.30 116.25 109.46 2ch0 h VAL 21 Ca 0.09 -0.16 0.08 0.00 -1.23 0.00 0.00 66.70 65.47 2ch0 h VAL 21 Cb 0.61 0.47 -0.07 0.00 -2.13 0.00 0.00 31.29 30.17 2ch0 h VAL 21 CO -0.00 0.09 0.61 0.58 -1.23 0.00 0.00 177.57 177.62 2ch0 h VAL 22 N 0.48 1.04 0.00 7.19 2.07 -1.48 -2.53 116.25 123.01 2ch0 h VAL 22 Ca 0.22 -0.37 -0.14 0.00 0.82 0.00 0.00 66.70 67.23 2ch0 h VAL 22 Cb 0.28 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.89 2ch0 h VAL 22 CO -0.06 0.20 -0.68 0.07 0.02 0.00 0.00 177.57 177.12 2ch0 h LYS 23 N 1.08 0.00 0.03 1.57 -0.00 -1.79 -3.35 116.57 114.10 2ch0 h LYS 23 Ca 0.43 0.00 -0.24 0.00 -0.00 0.00 0.00 60.65 60.84 2ch0 h LYS 23 Cb 0.24 0.00 0.01 0.00 -0.00 0.00 0.00 32.23 32.48 2ch0 h LYS 23 CO -0.20 0.68 -1.02 0.82 -0.00 0.00 0.00 179.45 179.73 2ch0 h ILE 24 N 0.00 1.38 -0.60 0.07 2.04 -1.63 -3.34 117.51 115.44 2ch0 h ILE 24 Ca -0.01 -2.49 0.17 0.00 1.00 0.00 0.00 64.86 63.54 2ch0 h ILE 24 Cb 1.25 2.50 -0.02 0.00 -0.74 0.00 0.00 36.82 39.81 2ch0 h ILE 24 CO 0.09 0.75 0.43 0.16 0.00 0.00 0.00 178.15 179.58 2ch0 h ILE 25 N 0.24 0.70 0.00 -0.67 3.07 -1.59 0.10 117.51 119.36 2ch0 h ILE 25 Ca -0.10 -0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.31 2ch0 h ILE 25 Cb 1.67 0.70 0.00 0.00 -0.27 0.00 0.00 36.82 38.92 2ch0 h ILE 25 CO 0.18 0.00 0.00 0.44 -1.05 0.00 0.00 178.15 177.72 2ch0 h ASP 26 N 0.00 0.00 0.11 2.16 3.32 -1.75 -3.21 116.42 117.05 2ch0 h ASP 26 Ca 0.29 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 2ch0 h ASP 26 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 2ch0 h ASP 26 CO -0.00 0.00 -0.05 -0.37 -1.72 0.00 0.00 179.24 177.10 2ch0 h VAL 27 N 0.00 0.95 -0.16 -1.35 -1.51 -0.98 -3.36 116.25 109.84 2ch0 h VAL 27 Ca 0.00 -1.34 0.01 0.00 -1.23 0.00 0.00 66.70 64.14 2ch0 h VAL 27 Cb 0.53 1.65 -0.01 0.00 -2.13 0.00 0.00 31.29 31.33 2ch0 h VAL 27 CO 0.00 0.27 0.07 -0.07 -1.23 0.00 0.00 177.57 176.61 2ch0 h LEU 28 N -0.89 0.10 -1.91 4.19 -0.00 -1.67 -3.00 115.31 112.14 2ch0 h LEU 28 Ca -0.01 0.01 0.17 0.00 -0.00 0.00 0.00 57.88 58.05 2ch0 h LEU 28 Cb 0.55 -0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 41.18 2ch0 h LEU 28 CO 0.02 0.08 0.57 -0.09 -0.00 0.00 0.00 178.44 179.02 2ch0 h ARG 29 N 0.15 0.00 0.11 1.13 9.65 -1.75 -2.31 114.38 121.37 2ch0 h ARG 29 Ca 0.07 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 2ch0 h ARG 29 Cb 0.02 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.60 2ch0 h ARG 29 CO -0.05 0.00 -0.05 0.66 2.80 0.00 0.00 179.97 183.32 2ch0 h SER 30 N 0.00 -0.12 0.65 -3.80 4.64 -1.66 -2.44 113.55 110.82 2ch0 h SER 30 Ca 0.29 -0.45 -0.15 0.00 -0.47 0.00 0.00 61.79 61.01 2ch0 h SER 30 Cb 1.42 0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.52 2ch0 h SER 30 CO -0.00 0.45 -0.70 1.12 -0.87 0.00 0.00 176.83 176.83 2ch0 h HIS 31 N -0.77 0.05 -0.03 4.77 -0.00 -1.66 -3.20 115.15 114.31 2ch0 h HIS 31 Ca -0.01 -0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.27 2ch0 h HIS 31 Cb 0.56 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.95 2ch0 h HIS 31 CO 0.11 0.73 -0.26 -0.91 -0.00 0.00 0.00 177.93 177.59 2ch0 h ASN 32 N 0.03 0.04 0.16 3.10 2.35 -1.49 -1.16 115.58 118.61 2ch0 h ASN 32 Ca -0.01 -0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.58 2ch0 h ASN 32 Cb 1.24 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.59 2ch0 h ASN 32 CO 0.09 0.31 -0.56 -0.33 -1.65 0.00 0.00 177.43 175.30 2ch0 h GLU 33 N 0.04 0.43 0.00 0.81 5.08 -1.42 -3.15 114.58 116.36 2ch0 h GLU 33 Ca 0.01 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.03 2ch0 h GLU 33 Cb 0.49 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2ch0 h GLU 33 CO 0.04 0.87 -0.31 0.00 -1.00 0.00 0.00 179.01 178.61 2ch0 h ALA 34 N 1.07 0.98 -0.37 3.43 0.00 -1.66 -3.34 119.26 119.37 2ch0 h ALA 34 Ca 0.00 -0.28 0.10 0.00 0.00 0.00 0.00 54.91 54.74 2ch0 h ALA 34 Cb 1.08 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2ch0 h ALA 34 CO 0.10 0.38 0.26 0.00 0.00 0.00 0.00 179.25 179.99 2ch0 n GLN 36 N -4.43 0.02 0.00 0.00 -0.00 -1.26 -3.22 117.38 108.49 2ch0 n GLN 36 Ca 0.06 0.38 0.00 0.00 -0.00 0.00 0.00 57.00 57.44 2ch0 n GLN 36 Cb 0.44 -1.79 0.00 0.00 -0.00 0.00 0.00 30.24 28.88 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 -1.51 0.00 -4.04 2.61 4.07 -0.95 -3.28 120.64 117.54 2ch0 n GLU 37 Ca -0.00 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 56.78 2ch0 n GLU 37 Cb 0.22 -0.45 -0.15 0.00 -0.06 0.00 0.00 31.44 31.00 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 -4.65 4.61 0.31 4.31 0.01 -1.16 -4.71 114.94 113.65 2ch0 s ASN 38 Ca 0.00 -1.81 0.18 0.00 -0.71 0.00 0.00 52.86 50.52 2ch0 s ASN 38 Cb 0.00 -1.58 1.12 0.00 0.41 0.00 0.00 41.25 41.20 2ch0 s ASN 38 CO 0.00 -0.29 1.31 2.29 -1.51 0.00 0.00 177.10 178.89 2ch0 n LYS 39 N 4.34 -0.05 -3.19 -0.60 -0.00 -1.24 -2.42 118.16 115.00 2ch0 n LYS 39 Ca -0.04 1.14 -0.13 0.00 -0.00 0.00 0.00 58.31 59.28 2ch0 n LYS 39 Cb 0.42 -2.05 -0.05 0.00 -0.00 0.00 0.00 35.03 33.35 2ch0 n LYS 39 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 2ch0 s ASP 40 N -4.60 0.13 0.26 -5.58 1.47 -1.26 0.01 116.67 107.11 2ch0 s ASP 40 Ca -0.07 -1.80 0.23 0.00 1.18 0.00 0.00 52.55 52.09 2ch0 s ASP 40 Cb 0.28 0.92 1.00 0.00 -0.34 0.00 0.00 42.92 44.78 2ch0 s ASP 40 CO 0.65 -0.17 1.69 0.00 0.68 0.00 0.00 175.17 178.01 2ch0 n LEU 41 N 3.66 0.63 -2.31 2.11 -0.00 -1.01 -2.43 117.00 117.65 2ch0 n LEU 41 Ca 0.17 0.68 -0.33 0.00 -0.00 0.00 0.00 56.01 56.53 2ch0 n LEU 41 Cb 0.50 -0.62 0.10 0.00 -0.00 0.00 0.00 43.42 43.40 2ch0 n LEU 41 CO 0.05 -0.62 1.43 0.00 -0.00 0.00 0.00 177.39 178.24 2ch0 n GLN 42 N -2.22 2.61 0.02 1.47 3.00 -1.26 -4.96 117.38 116.03 2ch0 n GLN 42 Ca 0.01 -3.24 0.22 0.00 -0.01 0.00 0.00 57.00 53.99 2ch0 n GLN 42 Cb 0.19 -2.27 0.67 0.00 0.00 0.00 0.00 30.24 28.84 2ch0 n GLN 42 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 2ch0 h PRO 43 N 1.81 0.00 -2.24 -1.09 0.13 -1.76 -3.25 132.00 125.60 2ch0 h PRO 43 Ca 0.62 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.67 2ch0 h PRO 43 Cb 1.20 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.14 2ch0 h PRO 43 CO 1.51 0.00 0.07 0.71 -0.23 0.00 0.00 178.00 180.06 2ch0 s TYR 44 N -4.56 -0.57 0.01 1.56 2.02 -1.26 -4.55 117.35 110.00 2ch0 s TYR 44 Ca -0.04 1.03 -0.01 0.00 -0.37 0.00 0.00 57.07 57.68 2ch0 s TYR 44 Cb 0.15 0.32 -0.01 0.00 -0.40 0.00 0.00 41.96 42.02 2ch0 s TYR 44 CO 0.52 -0.53 0.01 -1.64 -1.57 0.00 0.00 175.55 172.35 2ch0 s MET 45 N -1.01 0.26 0.87 -0.62 -1.94 -0.70 -5.00 119.30 111.16 2ch0 s MET 45 Ca -0.10 -0.40 -0.13 0.00 -1.71 0.00 0.00 55.69 53.35 2ch0 s MET 45 Cb -0.02 0.10 0.13 0.00 2.01 0.00 0.00 34.83 37.05 2ch0 s MET 45 CO 0.08 -0.05 1.23 -1.25 -0.01 0.00 0.00 175.02 175.02 2ch0 s PRO 46 N -1.04 1.45 0.15 2.03 0.04 -1.26 -1.77 135.00 134.59 2ch0 s PRO 46 Ca -0.11 -0.12 -0.16 0.00 0.04 0.00 0.00 61.00 60.65 2ch0 s PRO 46 Cb -0.07 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.56 2ch0 s PRO 46 CO -0.00 -1.91 1.76 0.82 0.04 0.00 0.00 177.00 177.71 2ch0 h ILE 47 N -1.27 1.15 0.00 0.56 2.04 -1.92 -0.67 117.51 117.39 2ch0 h ILE 47 Ca -0.45 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.05 2ch0 h ILE 47 Cb 1.29 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 2ch0 h ILE 47 CO 0.55 0.15 0.40 -0.81 0.00 0.00 0.00 178.15 178.43 2ch0 n PRO 48 N -4.74 0.07 -0.02 2.37 -0.05 -1.26 -0.44 135.00 130.93 2ch0 n PRO 48 Ca 0.00 0.53 -0.10 0.00 -0.05 0.00 0.00 63.50 63.89 2ch0 n PRO 48 Cb 0.07 -2.12 -0.04 0.00 -0.05 0.00 0.00 33.50 31.35 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 0.12 0.07 0.54 2.76 -1.47 1.00 115.15 118.17 2ch0 h HIS 49 Ca 0.00 0.01 -0.28 0.00 -2.20 0.00 0.00 60.37 57.89 2ch0 h HIS 49 Cb 0.80 -0.03 0.02 0.00 1.55 0.00 0.00 27.41 29.75 2ch0 h HIS 49 CO 0.00 0.07 -1.16 0.28 -1.30 0.00 0.00 177.93 175.82 2ch0 h VAL 50 N 0.14 1.29 -0.55 5.26 2.07 -1.70 -2.76 116.25 120.01 2ch0 h VAL 50 Ca 0.06 -2.40 -0.10 0.00 0.82 0.00 0.00 66.70 65.08 2ch0 h VAL 50 Cb 0.02 2.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 2ch0 h VAL 50 CO -0.04 0.73 -0.05 0.03 0.02 0.00 0.00 177.57 178.26 2ch0 h ARG 51 N 0.31 0.98 0.00 1.57 3.08 -0.79 -3.24 114.38 116.29 2ch0 h ARG 51 Ca -0.16 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2ch0 h ARG 51 Cb 1.82 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.79 2ch0 h ARG 51 CO 0.22 1.00 0.00 0.22 -1.07 0.00 0.00 179.97 180.34 2ch0 h ASP 52 N 0.89 0.00 -0.70 7.04 1.82 0.94 -3.37 116.42 123.04 2ch0 h ASP 52 Ca 0.15 0.00 0.08 0.00 -0.39 0.00 0.00 57.03 56.87 2ch0 h ASP 52 Cb 0.59 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.55 2ch0 h ASP 52 CO 0.04 0.00 0.46 0.28 -1.61 0.00 0.00 179.24 178.41 2ch0 h SER 53 N 0.00 0.59 0.24 2.28 0.02 -1.51 -3.30 113.55 111.86 2ch0 h SER 53 Ca 0.00 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.88 2ch0 h SER 53 Cb 0.76 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 2ch0 h SER 53 CO 0.00 0.37 -0.32 0.17 -1.14 0.00 0.00 176.83 175.91 2ch0 h LEU 54 N 0.66 0.13 -7.56 5.07 -0.00 -1.79 -3.43 115.31 108.41 2ch0 h LEU 54 Ca 0.31 -0.04 -0.14 0.00 -0.00 0.00 0.00 57.88 58.01 2ch0 h LEU 54 Cb 0.36 -0.04 -0.22 0.00 -0.00 0.00 0.00 40.66 40.77 2ch0 h LEU 54 CO -0.11 0.46 -0.38 -0.63 -0.00 0.00 0.00 178.44 177.79 2ch0 s ILE 55 N -4.32 0.05 -0.14 0.15 -1.09 -1.24 -5.03 121.20 109.58 2ch0 s ILE 55 Ca -0.04 -0.38 -0.09 0.00 -2.23 0.00 0.00 60.65 57.91 2ch0 s ILE 55 Cb 0.14 -0.49 -0.25 0.00 -1.58 0.00 0.00 42.46 40.29 2ch0 s ILE 55 CO 0.74 -0.21 0.32 0.00 -1.23 0.00 0.00 174.94 174.56 2ch0 n GLN 56 N 1.87 0.72 0.00 2.79 3.00 -1.26 -4.34 117.38 120.16 2ch0 n GLN 56 Ca -0.19 0.32 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 2ch0 n GLN 56 Cb 0.57 -1.71 0.00 0.00 0.00 0.00 0.00 30.24 29.10 2ch0 n GLN 56 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 2ch0 n PRO 57 N -3.66 0.00 0.07 -1.09 -0.04 -1.26 -4.76 135.00 124.26 2ch0 n PRO 57 Ca -0.33 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 62.96 2ch0 n PRO 57 Cb 0.98 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 34.36 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 0.79 -0.17 0.54 -0.00 -2.04 -3.35 115.15 110.92 2ch0 h HIS 58 Ca 0.00 -0.45 0.00 0.00 -0.00 0.00 0.00 60.37 59.92 2ch0 h HIS 58 Cb 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 27.33 2ch0 h HIS 58 CO 0.00 1.29 0.00 -0.25 -0.00 0.00 0.00 177.93 178.97 2ch0 n ASP 59 N -3.77 1.30 -0.28 3.26 8.00 -1.26 -4.55 116.55 119.25 2ch0 n ASP 59 Ca -0.09 -1.75 0.10 0.00 0.71 0.00 0.00 54.79 53.76 2ch0 n ASP 59 Cb 0.89 -0.11 0.24 0.00 -0.02 0.00 0.00 41.12 42.12 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 1.62 0.19 0.00 -1.24 -0.00 -1.76 -1.04 114.38 112.15 2ch0 h ARG 60 Ca 0.00 -0.01 -0.06 0.00 -0.00 0.00 0.00 59.98 59.91 2ch0 h ARG 60 Cb 0.36 -0.04 -0.01 0.00 -0.00 0.00 0.00 29.97 30.28 2ch0 h ARG 60 CO 0.00 0.13 -0.29 -0.22 -0.00 0.00 0.00 179.97 179.59 2ch0 h LYS 61 N 0.20 0.00 0.00 0.08 3.11 -1.88 -3.15 116.57 114.93 2ch0 h LYS 61 Ca 0.50 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 58.34 2ch0 h LYS 61 Cb 0.96 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.19 2ch0 h LYS 61 CO -0.64 0.29 -0.02 -0.22 -2.81 0.00 0.00 179.45 176.05 2ch0 h LYS 62 N 0.00 0.00 -0.01 1.90 3.64 -1.51 0.54 116.57 121.12 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 0.71 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 2ch0 h LYS 62 CO 0.04 0.02 -0.06 -1.33 -2.27 0.00 0.00 179.45 175.85 2ch0 n MET 63 N -4.08 0.98 -0.03 1.90 2.81 -1.25 -4.38 117.12 113.08 2ch0 n MET 63 Ca -0.03 -1.03 -0.12 0.00 -1.81 0.00 0.00 57.70 54.70 2ch0 n MET 63 Cb 0.10 -1.19 -0.07 0.00 -0.71 0.00 0.00 33.22 31.35 2ch0 n MET 63 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 2ch0 h LYS 64 N 1.97 0.16 -0.33 0.03 2.10 -0.94 0.12 116.57 119.68 2ch0 h LYS 64 Ca 0.00 -0.05 0.07 0.00 -2.00 0.00 0.00 60.65 58.67 2ch0 h LYS 64 Cb 0.45 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 31.75 2ch0 h LYS 64 CO 0.00 0.44 0.23 1.57 -2.00 0.00 0.00 179.45 179.69 2ch0 h LYS 65 N -0.14 0.13 0.05 0.07 2.10 -1.30 -0.80 116.57 116.68 2ch0 h LYS 65 Ca 0.02 -0.01 -0.28 0.00 -2.00 0.00 0.00 60.65 58.38 2ch0 h LYS 65 Cb 0.37 -0.03 0.03 0.00 -0.90 0.00 0.00 32.23 31.70 2ch0 h LYS 65 CO 0.01 0.08 -1.14 0.28 -2.00 0.00 0.00 179.45 176.68 2ch0 h VAL 66 N 0.13 1.28 -0.33 0.07 2.07 -1.73 -3.34 116.25 114.41 2ch0 h VAL 66 Ca 0.15 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.33 2ch0 h VAL 66 Cb 0.44 2.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.71 2ch0 h VAL 66 CO -0.02 0.72 0.21 -0.25 0.02 0.00 0.00 177.57 178.25 2ch0 h TRP 67 N 0.35 0.41 -0.98 1.57 2.91 0.58 0.23 115.95 121.02 2ch0 h TRP 67 Ca -0.16 0.01 0.10 0.00 1.13 0.00 0.00 58.89 59.97 2ch0 h TRP 67 Cb 1.80 -0.14 -0.08 0.00 -0.51 0.00 0.00 29.16 30.23 2ch0 h TRP 67 CO 0.11 0.27 0.63 -0.44 -1.03 0.00 0.00 178.44 177.97 2ch0 h ASP 68 N 0.44 0.93 0.06 2.65 3.32 -1.34 -0.25 116.42 122.23 2ch0 h ASP 68 Ca 0.12 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 2ch0 h ASP 68 Cb -0.04 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.35 2ch0 h ASP 68 CO -0.02 0.54 -0.03 -0.09 -1.72 0.00 0.00 179.24 177.91 2ch0 h ARG 69 N 1.02 -0.08 -0.76 3.56 1.12 -1.57 -3.39 114.38 114.28 2ch0 h ARG 69 Ca 0.46 0.01 0.19 0.00 -1.11 0.00 0.00 59.98 59.53 2ch0 h ARG 69 Cb 0.38 0.02 -0.04 0.00 -0.01 0.00 0.00 29.97 30.32 2ch0 h ARG 69 CO -0.22 0.47 0.53 0.00 -3.11 0.00 0.00 179.97 177.64 2ch0 h ALA 70 N -0.30 2.43 -0.53 2.80 0.00 -0.36 -0.48 119.26 122.83 2ch0 h ALA 70 Ca -0.01 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.99 2ch0 h ALA 70 Cb 0.59 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2ch0 h ALA 70 CO 0.01 -0.65 0.36 0.28 0.00 0.00 0.00 179.25 179.25 2ch0 h VAL 71 N 0.19 0.88 -0.31 0.00 2.07 -1.23 -2.33 116.25 115.52 2ch0 h VAL 71 Ca 0.37 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.84 2ch0 h VAL 71 Cb 1.18 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 2ch0 h VAL 71 CO -0.07 0.05 0.21 -0.78 0.02 0.00 0.00 177.57 177.00 2ch0 h ASP 72 N 0.30 0.20 0.15 0.57 3.58 -1.27 -1.68 116.42 118.27 2ch0 h ASP 72 Ca 0.24 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.68 2ch0 h ASP 72 Cb 0.57 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.57 2ch0 h ASP 72 CO -0.05 0.14 -0.07 -0.26 -2.88 0.00 0.00 179.24 176.11 2ch0 h PHE 73 N 0.23 -0.19 -0.46 0.28 0.04 -1.58 -3.38 116.94 111.88 2ch0 h PHE 73 Ca 0.13 -0.00 0.09 0.00 2.80 0.00 0.00 57.97 60.99 2ch0 h PHE 73 Cb 0.24 0.06 -0.09 0.00 2.20 0.00 0.00 35.95 38.37 2ch0 h PHE 73 CO -0.00 0.02 -0.12 1.25 -0.60 0.00 0.00 178.31 178.87 2ch0 h LEU 74 N -1.02 -0.43 -0.36 1.54 5.85 -1.19 -2.78 115.31 116.91 2ch0 h LEU 74 Ca -0.02 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2ch0 h LEU 74 Cb 0.30 0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.62 2ch0 h LEU 74 CO 0.03 -0.15 0.00 0.00 -0.34 0.00 0.00 178.44 177.98 2ch0 n ALA 75 N -2.80 1.24 1.32 1.25 0.00 -0.65 -1.76 120.51 119.11 2ch0 n ALA 75 Ca 0.04 0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.66 2ch0 n ALA 75 Cb 0.25 -1.16 0.69 0.00 0.00 0.00 0.00 19.45 19.22 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 -1.58 2.54 -2.98 0.00 0.00 -1.05 -4.80 120.51 112.64 2ch0 n ALA 76 Ca 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2ch0 n ALA 76 Cb 0.07 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.08 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 -1.28 0.00 -4.09 0.00 5.15 -0.72 -4.77 115.26 109.54 2ch0 n ASN 77 Ca 0.12 0.00 -0.28 0.00 -0.60 0.00 0.00 54.58 53.82 2ch0 n ASN 77 Cb 0.27 0.00 -0.17 0.00 -0.53 0.00 0.00 39.78 39.35 2ch0 n ASN 77 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2ch0 s GLU 78 N 3.48 2.31 0.00 1.20 2.56 -1.25 -5.00 118.70 122.01 2ch0 s GLU 78 Ca 0.00 -0.61 0.18 0.00 0.00 0.00 0.00 54.97 54.54 2ch0 s GLU 78 Cb 0.00 -1.88 0.06 0.00 2.00 0.00 0.00 34.13 34.32 2ch0 s GLU 78 CO 0.00 0.03 0.98 -1.13 -0.56 0.00 0.00 175.26 174.58 2ch0 n SER 79 N 3.91 2.08 0.00 -1.70 3.41 -1.26 -4.91 113.62 115.14 2ch0 n SER 79 Ca -0.20 -1.54 0.00 0.00 -0.26 0.00 0.00 58.87 56.87 2ch0 n SER 79 Cb 0.52 0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.72 2ch0 n SER 79 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2ch0 n ARG 80 N 0.42 0.00 -3.32 4.33 3.00 -1.26 -4.86 116.66 114.97 2ch0 n ARG 80 Ca 0.09 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.60 2ch0 n ARG 80 Cb 0.41 -0.18 -0.06 0.00 0.00 0.00 0.00 32.46 32.63 2ch0 n ARG 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2ch0 s VAL 81 N 0.00 4.83 0.06 5.15 -7.23 -1.26 -4.69 120.40 117.26 2ch0 s VAL 81 Ca 0.00 0.76 0.09 0.00 -1.81 0.00 0.00 61.98 61.02 2ch0 s VAL 81 Cb 0.00 -3.68 -0.03 0.00 0.56 0.00 0.00 36.38 33.23 2ch0 s VAL 81 CO 0.00 0.06 -0.24 -0.60 -0.31 0.00 0.00 175.10 174.01 2ch0 s ARG 82 N -2.44 1.51 -0.28 4.82 3.52 -0.64 -4.85 118.95 120.59 2ch0 s ARG 82 Ca 0.44 -1.09 -0.21 0.00 -0.13 0.00 0.00 55.73 54.75 2ch0 s ARG 82 Cb -0.13 -1.72 -0.01 0.00 -1.56 0.00 0.00 34.95 31.53 2ch0 s ARG 82 CO 0.20 0.43 0.66 0.95 -0.81 0.00 0.00 175.30 176.73 2ch0 s THR 83 N -0.88 4.93 0.07 4.11 -4.23 -1.26 -1.51 115.64 116.88 2ch0 s THR 83 Ca 0.10 1.05 0.06 0.00 -1.18 0.00 0.00 61.69 61.72 2ch0 s THR 83 Cb -0.10 -4.00 -0.03 0.00 1.34 0.00 0.00 72.50 69.72 2ch0 s THR 83 CO 0.03 -0.08 -0.17 -0.70 -0.54 0.00 0.00 174.62 173.15 2ch0 s GLU 84 N 2.63 1.02 -0.39 3.99 2.12 -0.99 -4.94 118.70 122.13 2ch0 s GLU 84 Ca 0.27 -0.97 -0.15 0.00 0.36 0.00 0.00 54.97 54.48 2ch0 s GLU 84 Cb -0.15 -1.12 0.01 0.00 0.26 0.00 0.00 34.13 33.13 2ch0 s GLU 84 CO 0.10 0.27 0.32 0.99 -0.54 0.00 0.00 175.26 176.40 2ch0 s THR 85 N -1.06 5.23 0.06 -1.70 2.01 -1.26 -1.94 115.64 116.98 2ch0 s THR 85 Ca 0.03 -0.47 0.01 0.00 0.31 0.00 0.00 61.69 61.57 2ch0 s THR 85 Cb -0.09 -3.90 -0.03 0.00 0.01 0.00 0.00 72.50 68.49 2ch0 s THR 85 CO 0.03 -0.25 -0.05 -0.13 -0.69 0.00 0.00 174.62 173.52 2ch0 s ARG 86 N 1.79 0.61 -0.25 4.92 1.81 -1.00 -4.92 118.95 121.91 2ch0 s ARG 86 Ca 0.07 -1.04 -0.18 0.00 -1.72 0.00 0.00 55.73 52.86 2ch0 s ARG 86 Cb -0.18 -0.06 -0.03 0.00 -0.45 0.00 0.00 34.95 34.23 2ch0 s ARG 86 CO 0.11 -0.03 0.51 0.50 -0.68 0.00 0.00 175.30 175.71 2ch0 s ARG 87 N -2.91 4.08 -0.08 3.54 3.52 -1.26 -1.97 118.95 123.87 2ch0 s ARG 87 Ca 0.00 0.33 -0.01 0.00 -0.13 0.00 0.00 55.73 55.93 2ch0 s ARG 87 Cb -0.00 -3.64 0.03 0.00 -1.56 0.00 0.00 34.95 29.77 2ch0 s ARG 87 CO -0.04 -0.33 -0.02 0.96 -0.81 0.00 0.00 175.30 175.05 2ch0 s ILE 88 N 2.24 0.54 -1.55 4.11 -0.00 0.10 -4.78 121.20 121.86 2ch0 s ILE 88 Ca 0.21 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.86 2ch0 s ILE 88 Cb -0.16 -0.65 0.00 0.00 -0.00 0.00 0.00 42.46 41.65 2ch0 s ILE 88 CO 0.09 0.28 0.00 0.61 -0.00 0.00 0.00 174.94 175.92 2ch0 n GLY 89 N 4.93 1.13 1.33 6.27 0.00 -1.26 -1.79 105.19 115.80 2ch0 n GLY 89 Ca -0.11 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.08 0.69 3.08 -0.02 0.00 -1.26 -5.08 105.19 101.52 2ch0 n GLY 90 Ca -0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.09 1.14 -0.37 4.61 0.00 -0.74 -5.08 121.76 119.23 2ch0 s ALA 91 Ca 0.00 -0.53 -0.16 0.00 0.00 0.00 0.00 51.96 51.27 2ch0 s ALA 91 Cb 0.00 -0.35 -0.00 0.00 0.00 0.00 0.00 23.12 22.77 2ch0 s ALA 91 CO 0.00 0.23 0.38 0.16 0.00 0.00 0.00 175.76 176.53 2ch0 s ASP 92 N -0.07 6.18 0.34 0.00 -4.77 -1.26 0.03 116.67 117.12 2ch0 s ASP 92 Ca 0.00 -0.38 0.06 0.00 -3.30 0.00 0.00 52.55 48.93 2ch0 s ASP 92 Cb -0.08 -2.20 -0.07 0.00 -1.09 0.00 0.00 42.92 39.48 2ch0 s ASP 92 CO 0.00 -0.41 0.01 -0.36 0.70 0.00 0.00 175.17 175.12 2ch0 s PHE 93 N 2.03 2.14 -0.41 2.11 0.08 -0.83 -4.87 117.98 118.23 2ch0 s PHE 93 Ca 0.11 -0.79 -0.20 0.00 0.12 0.00 0.00 56.93 56.17 2ch0 s PHE 93 Cb -0.17 -1.39 0.02 0.00 -0.57 0.00 0.00 43.02 40.91 2ch0 s PHE 93 CO 0.12 0.23 0.61 -0.51 -0.10 0.00 0.00 175.22 175.56 2ch0 s LEU 94 N -3.55 4.47 0.04 -0.37 1.43 -1.26 -2.37 118.68 117.08 2ch0 s LEU 94 Ca 0.34 -0.25 -0.01 0.00 -1.03 0.00 0.00 54.13 53.17 2ch0 s LEU 94 Cb 0.08 -2.69 -0.04 0.00 0.03 0.00 0.00 46.19 43.57 2ch0 s LEU 94 CO 0.15 -0.69 0.22 0.68 0.23 0.00 0.00 176.35 176.94 2ch0 s VAL 95 N 2.69 5.39 -0.20 -1.59 -7.23 -0.82 -4.41 120.40 114.22 2ch0 s VAL 95 Ca 0.21 -0.26 -0.09 0.00 -1.81 0.00 0.00 61.98 60.04 2ch0 s VAL 95 Cb -0.15 -3.60 -0.04 0.00 0.56 0.00 0.00 36.38 33.15 2ch0 s VAL 95 CO 0.17 0.20 0.10 0.86 -0.31 0.00 0.00 175.10 176.12 2ch0 s TRP 96 N -1.45 3.28 0.04 2.82 -0.11 -0.73 -2.35 118.94 120.44 2ch0 s TRP 96 Ca 0.33 0.12 -0.01 0.00 1.22 0.00 0.00 56.10 57.76 2ch0 s TRP 96 Cb -0.13 -2.15 -0.03 0.00 -1.50 0.00 0.00 33.47 29.66 2ch0 s TRP 96 CO 0.24 0.13 -0.03 -0.98 -4.62 0.00 0.00 176.95 171.69 2ch0 s ARG 97 N 0.61 0.52 0.00 5.86 1.70 -0.57 -1.72 118.95 125.34 2ch0 s ARG 97 Ca 0.05 -1.03 0.03 0.00 -0.47 0.00 0.00 55.73 54.32 2ch0 s ARG 97 Cb -0.13 0.17 -0.03 0.00 -0.57 0.00 0.00 34.95 34.39 2ch0 s ARG 97 CO 0.01 -0.09 -0.06 -0.46 -1.08 0.00 0.00 175.30 173.62 2ch0 s TRP 98 N -3.12 2.90 -0.05 5.89 -0.11 -1.23 -1.62 118.94 121.60 2ch0 s TRP 98 Ca -0.00 -0.03 0.04 0.00 1.22 0.00 0.00 56.10 57.33 2ch0 s TRP 98 Cb 0.02 -1.61 -0.00 0.00 -1.50 0.00 0.00 33.47 30.37 2ch0 s TRP 98 CO -0.07 0.38 -0.18 0.96 -4.62 0.00 0.00 176.95 173.41 2ch0 s ILE 99 N -1.00 1.51 -0.30 5.86 -4.36 -1.26 -4.64 121.20 117.02 2ch0 s ILE 99 Ca 0.17 -0.76 -0.01 0.00 -0.26 0.00 0.00 60.65 59.79 2ch0 s ILE 99 Cb -0.11 -1.30 0.13 0.00 1.25 0.00 0.00 42.46 42.43 2ch0 s ILE 99 CO 0.07 0.43 0.26 -1.58 0.24 0.00 0.00 174.94 174.37 2ch0 s GLN 100 N 0.02 0.32 0.11 0.37 -0.44 0.10 -4.95 119.66 115.20 2ch0 s GLN 100 Ca -0.04 -0.34 -0.31 0.00 -2.50 0.00 0.00 55.36 52.17 2ch0 s GLN 100 Cb -0.12 -0.81 -0.08 0.00 -1.64 0.00 0.00 33.01 30.36 2ch0 s GLN 100 CO 0.02 -1.05 1.41 -2.14 0.50 0.00 0.00 175.29 174.03 2ch0 s PRO 101 N 2.17 4.31 -1.50 1.67 0.02 -1.26 -3.43 135.00 136.97 2ch0 s PRO 101 Ca 0.10 2.10 -0.00 0.00 0.02 0.00 0.00 61.00 63.22 2ch0 s PRO 101 Cb -0.15 -3.26 0.00 0.00 0.02 0.00 0.00 34.50 31.11 2ch0 s PRO 101 CO -0.30 -0.46 0.03 0.45 -0.33 0.00 0.00 177.00 176.38 2ch0 n SER 102 N 4.05 -5.18 0.00 2.53 2.88 -1.26 -2.63 113.62 114.01 2ch0 n SER 102 Ca 0.12 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 2ch0 n SER 102 Cb 0.42 -4.25 0.00 0.00 -0.75 0.00 0.00 64.21 59.63 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 -1.93 0.00 0.01 -1.46 0.00 -1.22 -2.98 120.51 112.92 2ch0 n ALA 103 Ca -0.20 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.24 2ch0 n ALA 103 Cb 0.66 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.12 2ch0 n ALA 103 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ch0 n SER 104 N 2.91 1.78 0.00 0.00 7.64 -1.21 -3.22 113.62 121.53 2ch0 n SER 104 Ca 0.00 -1.67 0.00 0.00 1.01 0.00 0.00 58.87 58.21 2ch0 n SER 104 Cb 0.00 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 2ch0 n SER 104 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ch0 n ASP 106 N 2.94 0.00 -4.49 0.00 8.00 -1.26 -4.82 116.55 116.91 2ch0 n ASP 106 Ca 0.00 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.13 2ch0 n ASP 106 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 40.98 2ch0 n ASP 106 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2ch0 s LYS 107 N -1.00 3.75 0.00 -1.24 -0.14 -1.22 -4.92 119.74 114.97 2ch0 s LYS 107 Ca 0.00 -0.43 0.00 0.00 -1.36 0.00 0.00 55.97 54.18 2ch0 s LYS 107 Cb 0.00 -3.44 0.00 0.00 -1.68 0.00 0.00 37.83 32.71 2ch0 s LYS 107 CO 0.00 -0.19 0.00 -0.89 -0.76 0.00 0.00 175.35 173.51 2ch0 n ILE 108 N 4.97 -0.71 -1.80 2.17 2.08 -1.26 -4.83 119.36 119.99 2ch0 n ILE 108 Ca -0.15 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.16 2ch0 n ILE 108 Cb 0.52 -0.16 0.00 0.00 -0.75 0.00 0.00 39.64 39.25 2ch0 n ILE 108 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2ch0 n LEU 109 N -0.63 0.00 -4.44 1.39 -0.00 -1.26 -4.66 117.00 107.40 2ch0 n LEU 109 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.58 2ch0 n LEU 109 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 2ch0 n LEU 109 CO 0.00 -0.46 0.78 -0.69 -0.00 0.00 0.00 177.39 177.02 2ch0 s VAL 110 N -0.04 4.47 -0.32 1.47 1.01 -1.26 -4.94 120.40 120.79 2ch0 s VAL 110 Ca 0.00 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.18 2ch0 s VAL 110 Cb 0.00 -4.69 0.02 0.00 0.00 0.00 0.00 36.38 31.71 2ch0 s VAL 110 CO 0.00 -1.44 0.11 -0.63 0.00 0.00 0.00 175.10 173.14 2ch0 s ILE 111 N 3.60 4.07 0.00 2.22 1.01 -1.26 -5.04 121.20 125.80 2ch0 s ILE 111 Ca 0.24 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 60.09 2ch0 s ILE 111 Cb -0.15 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 39.15 2ch0 s ILE 111 CO 0.05 -0.03 0.01 -0.81 0.00 0.00 0.00 174.94 174.17 2ch0 n PRO 112 N 4.88 0.00 0.00 2.79 -0.04 -1.26 -5.05 135.00 136.33 2ch0 n PRO 112 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 2ch0 n PRO 112 Cb 0.47 -0.51 0.00 0.00 -0.04 0.00 0.00 33.50 33.42 2ch0 n PRO 112 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2ch0 n SER 113 N -0.50 0.00 -2.93 3.54 7.64 -1.26 -5.06 113.62 115.06 2ch0 n SER 113 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 2ch0 n SER 113 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 2ch0 n SER 113 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2ch0 s LYS 114 N 0.00 2.23 0.05 1.43 2.20 -1.26 -5.08 119.74 119.31 2ch0 s LYS 114 Ca 0.00 -1.46 0.22 0.00 -0.36 0.00 0.00 55.97 54.37 2ch0 s LYS 114 Cb 0.00 0.62 -0.19 0.00 -1.51 0.00 0.00 37.83 36.75 2ch0 s LYS 114 CO 0.00 -1.04 0.72 1.33 -0.36 0.00 0.00 175.35 176.00 2ch0 n VAL 115 N -0.53 0.20 0.00 4.02 0.24 -1.26 -5.02 118.33 115.98 2ch0 n VAL 115 Ca -0.08 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.76 2ch0 n VAL 115 Cb 0.60 -0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 2ch0 n VAL 115 CO 0.00 0.00 0.00 0.79 -2.14 0.00 0.00 176.83 175.48 2ch0 n TRP 116 N -2.31 0.00 -0.01 6.34 8.01 -1.26 -0.30 117.44 127.90 2ch0 n TRP 116 Ca -0.02 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.17 2ch0 n TRP 116 Cb 0.54 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.84 2ch0 n TRP 116 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2ch0 n GLN 117 N 0.00 2.27 -0.20 -0.99 -0.00 -1.26 -4.85 117.38 112.34 2ch0 n GLN 117 Ca 0.00 -1.31 -0.06 0.00 -0.00 0.00 0.00 57.00 55.63 2ch0 n GLN 117 Cb 0.00 -1.00 -0.01 0.00 -0.00 0.00 0.00 30.24 29.24 2ch0 n GLN 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2ch0 n GLY 118 N -0.41 2.04 0.00 2.61 0.00 0.58 -4.22 105.19 105.80 2ch0 n GLY 118 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 4.73 4.00 -0.61 1.61 7.27 -1.26 -4.87 117.38 128.26 2ch0 n GLN 119 Ca 0.12 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 57.08 2ch0 n GLN 119 Cb 0.04 -0.50 -0.07 0.00 2.41 0.00 0.00 30.24 32.12 2ch0 n GLN 119 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2ch0 n ALA 120 N -0.81 4.23 0.04 1.69 0.00 -1.26 -2.40 120.51 122.00 2ch0 n ALA 120 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 52.13 2ch0 n ALA 120 Cb 0.00 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 16.95 2ch0 n ALA 120 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2ch0 n PHE 121 N 3.16 -2.06 -3.69 0.00 7.35 -1.26 -5.06 117.46 115.89 2ch0 n PHE 121 Ca 0.30 0.24 -0.37 0.00 -0.76 0.00 0.00 57.45 56.86 2ch0 n PHE 121 Cb 0.40 0.87 -0.12 0.00 0.35 0.00 0.00 39.48 40.99 2ch0 n PHE 121 CO 0.00 0.00 0.00 -3.38 -0.76 0.00 0.00 176.76 172.62 2ch0 s HIS 122 N -2.00 3.17 0.00 -5.13 -3.43 -1.01 -4.68 115.29 102.21 2ch0 s HIS 122 Ca 0.00 -0.11 0.00 0.00 -0.80 0.00 0.00 55.06 54.15 2ch0 s HIS 122 Cb 0.00 -2.30 0.00 0.00 -1.43 0.00 0.00 32.58 28.85 2ch0 s HIS 122 CO 0.00 -0.22 0.00 1.28 -2.00 0.00 0.00 174.74 173.80 2ch0 n LEU 123 N 4.88 0.00 -2.10 5.38 4.77 -1.26 -4.79 117.00 123.88 2ch0 n LEU 123 Ca -0.15 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.78 2ch0 n LEU 123 Cb 0.52 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 2ch0 n LEU 123 CO 0.32 0.00 1.01 -0.67 -1.33 0.00 0.00 177.39 176.73 2ch0 n ASP 124 N 2.40 3.03 0.00 -1.43 2.03 -1.23 -0.79 116.55 120.56 2ch0 n ASP 124 Ca 0.00 -2.01 0.00 0.00 0.52 0.00 0.00 54.79 53.30 2ch0 n ASP 124 Cb 0.00 -0.78 0.00 0.00 -0.72 0.00 0.00 41.12 39.62 2ch0 n ASP 124 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2ch0 n ARG 125 N 2.48 0.00 0.00 -0.67 5.12 -1.26 -4.62 116.66 117.71 2ch0 n ARG 125 Ca 0.19 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.11 2ch0 n ARG 125 Cb 0.47 -0.77 0.00 0.00 -1.16 0.00 0.00 32.46 31.00 2ch0 n ARG 125 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 2ch0 n ARG 126 N -2.46 0.00 -4.20 5.56 -4.01 -0.97 -5.12 116.66 105.45 2ch0 n ARG 126 Ca 0.00 -0.10 -0.12 0.00 -1.04 0.00 0.00 57.85 56.59 2ch0 n ARG 126 Cb 0.40 -0.38 -0.10 0.00 -3.04 0.00 0.00 32.46 29.35 2ch0 n ARG 126 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 2ch0 s LEU 127 N 0.00 2.22 0.00 2.89 1.43 0.03 -5.12 118.68 120.13 2ch0 s LEU 127 Ca 0.00 -1.12 0.00 0.00 -1.03 0.00 0.00 54.13 51.98 2ch0 s LEU 127 Cb 0.00 -0.02 0.00 0.00 0.03 0.00 0.00 46.19 46.20 2ch0 s LEU 127 CO 0.00 -0.55 0.00 -0.62 0.23 0.00 0.00 176.35 175.41 2ch0 n GLU 128 N -0.15 0.00 -0.05 1.70 1.02 -1.26 -3.50 120.64 118.40 2ch0 n GLU 128 Ca -0.08 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 56.95 2ch0 n GLU 128 Cb 0.62 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 32.01 2ch0 n GLU 128 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2ch0 n ARG 129 N 0.01 0.22 0.06 3.49 5.12 -1.26 -4.86 116.66 119.43 2ch0 n ARG 129 Ca 0.00 0.09 -0.08 0.00 -1.93 0.00 0.00 57.85 55.93 2ch0 n ARG 129 Cb 0.00 -0.89 -0.12 0.00 -1.16 0.00 0.00 32.46 30.28 2ch0 n ARG 129 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 2ch0 h PRO 130 N -0.32 0.03 -2.99 5.56 0.13 -2.08 -3.50 132.00 128.83 2ch0 h PRO 130 Ca -0.25 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2ch0 h PRO 130 Cb 1.24 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2ch0 h PRO 130 CO -0.14 0.97 0.00 1.58 -0.23 0.00 0.00 178.00 180.18 2ch0 n HIS 131 N -3.34 0.00 -3.73 1.56 -0.00 -1.26 -5.14 115.22 103.31 2ch0 n HIS 131 Ca -0.03 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.03 2ch0 n HIS 131 Cb 0.96 -1.49 -0.10 0.00 -0.12 0.00 0.00 29.99 29.23 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 -0.57 0.47 0.00 1.57 3.52 -1.26 -5.18 118.95 117.49 2ch0 s ARG 132 Ca 0.00 0.61 0.13 0.00 -0.13 0.00 0.00 55.73 56.34 2ch0 s ARG 132 Cb 0.00 0.20 0.10 0.00 -1.56 0.00 0.00 34.95 33.69 2ch0 s ARG 132 CO 0.00 -0.07 0.92 -3.47 -0.81 0.00 0.00 175.30 171.86