#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 -0.53 0.50 1.61 0.15 -1.26 -5.17 113.70 109.00 2ch0 s SER 2 Ca 0.00 0.96 -0.20 0.00 0.70 0.00 0.00 55.95 57.41 2ch0 s SER 2 Cb 0.00 0.98 -0.08 0.00 -1.71 0.00 0.00 66.02 65.21 2ch0 s SER 2 CO 0.00 -0.23 1.04 -2.84 1.20 0.00 0.00 173.24 172.41 2ch0 s PRO 3 N 0.05 3.75 0.00 5.44 0.02 -1.26 -4.54 135.00 138.46 2ch0 s PRO 3 Ca -0.02 1.35 0.00 0.00 0.02 0.00 0.00 61.00 62.35 2ch0 s PRO 3 Cb -0.04 -2.09 0.00 0.00 0.02 0.00 0.00 34.50 32.40 2ch0 s PRO 3 CO 0.02 -0.47 0.00 0.39 -0.33 0.00 0.00 177.00 176.61 2ch0 n GLU 4 N -1.07 0.00 -2.41 5.54 4.71 -1.26 -4.41 120.64 121.73 2ch0 n GLU 4 Ca 0.09 0.00 -0.04 0.00 -0.01 0.00 0.00 57.16 57.20 2ch0 n GLU 4 Cb 0.53 -0.10 0.02 0.00 -1.01 0.00 0.00 31.44 30.87 2ch0 n GLU 4 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2ch0 n PHE 5 N 0.00 -0.50 -0.25 -0.32 7.35 -1.26 -5.00 117.46 117.48 2ch0 n PHE 5 Ca 0.00 0.20 0.05 0.00 -0.76 0.00 0.00 57.45 56.95 2ch0 n PHE 5 Cb 0.00 -2.43 0.28 0.00 0.35 0.00 0.00 39.48 37.68 2ch0 n PHE 5 CO 0.00 0.00 0.00 2.89 -0.76 0.00 0.00 176.76 178.89 2ch0 n ARG 6 N -1.60 3.56 0.00 -4.13 1.85 -1.26 -4.81 116.66 110.28 2ch0 n ARG 6 Ca -0.04 -2.20 0.00 0.00 -1.00 0.00 0.00 57.85 54.61 2ch0 n ARG 6 Cb 0.53 -1.96 0.00 0.00 -1.05 0.00 0.00 32.46 29.98 2ch0 n ARG 6 CO 0.00 0.00 0.00 -2.67 -0.01 0.00 0.00 177.63 174.95 2ch0 n TRP 7 N 0.53 0.00 0.64 2.89 4.27 -1.26 -4.03 117.44 120.48 2ch0 n TRP 7 Ca 0.19 0.00 0.10 0.00 -3.89 0.00 0.00 57.50 53.91 2ch0 n TRP 7 Cb 0.86 0.00 -0.13 0.00 -1.36 0.00 0.00 31.31 30.68 2ch0 n TRP 7 CO 0.00 0.00 0.00 2.41 -2.29 0.00 0.00 177.69 177.81 2ch0 n THR 8 N -0.39 0.01 -0.01 -1.67 -1.04 -1.26 -4.61 114.28 105.30 2ch0 n THR 8 Ca 0.00 -0.18 0.23 0.00 -2.04 0.00 0.00 64.05 62.06 2ch0 n THR 8 Cb 0.00 0.62 0.72 0.00 -1.82 0.00 0.00 70.33 69.85 2ch0 n THR 8 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2ch0 h LYS 9 N 0.00 0.00 0.00 -2.82 1.57 -1.88 -2.49 116.57 110.96 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 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2ch0 h LYS 9 CO 0.00 0.00 0.19 1.49 -0.57 0.00 0.00 179.45 180.56 2ch0 h GLU 10 N 0.00 0.00 0.00 3.15 4.81 -1.82 -0.31 114.58 120.41 2ch0 h GLU 10 Ca 0.28 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.43 2ch0 h GLU 10 Cb 1.28 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 2ch0 h GLU 10 CO -0.00 0.00 -0.40 0.93 -0.73 0.00 0.00 179.01 178.81 2ch0 h GLU 11 N 0.00 0.00 -0.36 1.92 4.39 -1.82 -3.23 114.58 115.48 2ch0 h GLU 11 Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 2ch0 h GLU 11 Cb 0.38 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 2ch0 h GLU 11 CO 0.00 0.40 0.11 1.49 -1.16 0.00 0.00 179.01 179.85 2ch0 h GLU 12 N 0.00 0.51 -0.23 2.33 4.57 -1.27 0.30 114.58 120.80 2ch0 h GLU 12 Ca -0.00 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.05 2ch0 h GLU 12 Cb 0.75 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 2ch0 h GLU 12 CO 0.05 0.45 -0.09 0.93 -1.18 0.00 0.00 179.01 179.18 2ch0 h GLU 13 N 0.51 0.35 0.01 1.92 5.08 -1.72 -3.31 114.58 117.42 2ch0 h GLU 13 Ca 0.12 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2ch0 h GLU 13 Cb 0.16 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2ch0 h GLU 13 CO -0.01 0.46 -0.00 1.79 -1.00 0.00 0.00 179.01 180.24 2ch0 h THR 14 N 0.34 1.35 0.00 1.13 1.35 -1.38 -3.45 112.91 112.24 2ch0 h THR 14 Ca 0.07 -1.97 0.00 0.00 -0.55 0.00 0.00 66.41 63.96 2ch0 h THR 14 Cb 0.37 2.52 0.00 0.00 -1.73 0.00 0.00 68.15 69.31 2ch0 h THR 14 CO 0.02 0.45 0.00 0.54 -0.25 0.00 0.00 175.52 176.28 2ch0 n ARG 15 N -4.67 0.00 -2.90 4.72 1.74 0.96 -3.98 116.66 112.53 2ch0 n ARG 15 Ca -0.08 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.73 2ch0 n ARG 15 Cb 0.36 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.76 2ch0 n ARG 15 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2ch0 n GLN 16 N 2.91 3.29 0.02 5.56 -0.06 -1.26 -4.85 117.38 122.98 2ch0 n GLN 16 Ca 0.00 -4.84 -0.06 0.00 -2.00 0.00 0.00 57.00 50.10 2ch0 n GLN 16 Cb 0.00 -2.24 0.13 0.00 -4.06 0.00 0.00 30.24 24.07 2ch0 n GLN 16 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2ch0 h MET 17 N 2.96 0.49 0.00 3.69 -0.00 -1.88 -3.34 114.93 116.84 2ch0 h MET 17 Ca 0.15 -0.25 0.00 0.00 -0.00 0.00 0.00 59.70 59.60 2ch0 h MET 17 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.14 2ch0 h MET 17 CO 0.83 0.82 0.34 1.88 -0.00 0.00 0.00 176.91 180.78 2ch0 h TYR 18 N 0.40 0.00 0.00 -0.10 0.05 -1.96 -2.88 116.97 112.48 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 0.90 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.64 2ch0 h TYR 18 CO 0.03 0.00 0.00 -0.40 -1.05 0.00 0.00 178.16 176.74 2ch0 n ASP 19 N -2.54 0.00 0.10 3.88 5.68 -1.25 -4.82 116.55 117.59 2ch0 n ASP 19 Ca -0.01 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.23 2ch0 n ASP 19 Cb 0.38 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.38 2ch0 n ASP 19 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2ch0 h MET 20 N 0.00 0.00 -0.24 0.11 -0.00 -1.85 -3.38 114.93 109.57 2ch0 h MET 20 Ca 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 59.70 59.71 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 0.82 0.16 -0.39 -0.00 0.00 0.00 176.91 177.50 2ch0 h VAL 21 N 0.00 1.04 -0.91 -0.10 -1.51 -1.84 -3.16 116.25 109.77 2ch0 h VAL 21 Ca -0.01 -0.10 0.19 0.00 -1.23 0.00 0.00 66.70 65.55 2ch0 h VAL 21 Cb 1.44 0.72 -0.07 0.00 -2.13 0.00 0.00 31.29 31.25 2ch0 h VAL 21 CO 0.11 0.05 0.59 0.58 -1.23 0.00 0.00 177.57 177.67 2ch0 h VAL 22 N 0.29 0.70 0.00 7.19 2.07 -1.74 -0.62 116.25 124.15 2ch0 h VAL 22 Ca 0.09 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 2ch0 h VAL 22 Cb 0.02 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 2ch0 h VAL 22 CO -0.02 0.09 -0.24 0.07 0.02 0.00 0.00 177.57 177.49 2ch0 h LYS 23 N 0.49 0.00 0.08 1.57 -0.00 -1.85 -3.35 116.57 113.51 2ch0 h LYS 23 Ca 0.48 0.00 -0.28 0.00 -0.00 0.00 0.00 60.65 60.85 2ch0 h LYS 23 Cb 1.07 0.00 0.02 0.00 -0.00 0.00 0.00 32.23 33.32 2ch0 h LYS 23 CO -0.21 0.24 -1.17 0.82 -0.00 0.00 0.00 179.45 179.14 2ch0 h ILE 24 N 0.00 1.33 -0.61 0.07 2.04 -1.27 -3.36 117.51 115.71 2ch0 h ILE 24 Ca -0.00 -2.49 0.17 0.00 1.00 0.00 0.00 64.86 63.53 2ch0 h ILE 24 Cb 0.91 2.63 -0.03 0.00 -0.74 0.00 0.00 36.82 39.59 2ch0 h ILE 24 CO 0.03 0.75 0.43 0.16 0.00 0.00 0.00 178.15 179.53 2ch0 h ILE 25 N 0.27 0.72 0.00 -0.67 3.07 -1.63 0.34 117.51 119.61 2ch0 h ILE 25 Ca -0.16 -0.02 -0.03 0.00 1.55 0.00 0.00 64.86 66.20 2ch0 h ILE 25 Cb 1.83 0.65 -0.00 0.00 -0.27 0.00 0.00 36.82 39.03 2ch0 h ILE 25 CO 0.22 0.01 -0.14 0.44 -1.05 0.00 0.00 178.15 177.63 2ch0 h ASP 26 N 0.07 0.00 0.08 2.16 3.32 -1.76 -2.28 116.42 118.02 2ch0 h ASP 26 Ca 0.29 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.34 2ch0 h ASP 26 Cb 1.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.62 2ch0 h ASP 26 CO -0.02 0.14 -0.04 -0.37 -1.72 0.00 0.00 179.24 177.22 2ch0 h VAL 27 N 0.00 1.14 -0.03 -1.35 -1.51 -1.12 -3.34 116.25 110.04 2ch0 h VAL 27 Ca -0.00 -1.36 0.01 0.00 -1.23 0.00 0.00 66.70 64.12 2ch0 h VAL 27 Cb 0.25 1.95 -0.02 0.00 -2.13 0.00 0.00 31.29 31.35 2ch0 h VAL 27 CO 0.02 0.31 -0.06 -0.07 -1.23 0.00 0.00 177.57 176.54 2ch0 h LEU 28 N -0.80 -0.17 -2.00 4.19 -0.00 -1.57 -3.07 115.31 111.90 2ch0 h LEU 28 Ca -0.01 0.03 0.16 0.00 -0.00 0.00 0.00 57.88 58.06 2ch0 h LEU 28 Cb 0.59 0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 41.31 2ch0 h LEU 28 CO 0.02 -0.08 0.46 0.03 -0.00 0.00 0.00 178.44 178.86 2ch0 h ARG 29 N -0.09 0.00 -0.12 1.13 3.08 -1.61 -2.49 114.38 114.28 2ch0 h ARG 29 Ca 0.03 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 2ch0 h ARG 29 Cb 0.13 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 2ch0 h ARG 29 CO -0.08 0.00 -0.08 0.66 -1.07 0.00 0.00 179.97 179.40 2ch0 h SER 30 N 0.00 0.27 -0.60 7.04 4.64 -1.66 0.16 113.55 123.40 2ch0 h SER 30 Ca 0.27 -0.44 -0.03 0.00 -0.47 0.00 0.00 61.79 61.11 2ch0 h SER 30 Cb 1.18 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 63.16 2ch0 h SER 30 CO -0.00 0.66 0.27 0.45 -0.87 0.00 0.00 176.83 177.33 2ch0 h HIS 31 N -0.10 0.92 -0.15 4.77 3.86 -1.57 -3.25 115.15 119.63 2ch0 h HIS 31 Ca 0.02 -0.05 -0.20 0.00 -1.16 0.00 0.00 60.37 58.98 2ch0 h HIS 31 Cb 0.56 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.75 2ch0 h HIS 31 CO 0.07 0.70 -0.73 -0.91 0.86 0.00 0.00 177.93 177.92 2ch0 h ASN 32 N 0.90 0.79 -0.20 2.45 -0.26 -1.09 -0.11 115.58 118.07 2ch0 h ASN 32 Ca 0.22 -0.50 0.06 0.00 -0.56 0.00 0.00 56.30 55.51 2ch0 h ASN 32 Cb 0.16 -0.23 -0.07 0.00 -1.06 0.00 0.00 38.32 37.12 2ch0 h ASN 32 CO -0.02 1.28 -0.25 -0.33 -1.06 0.00 0.00 177.43 177.05 2ch0 h GLU 33 N 0.47 -0.27 0.00 0.81 5.08 -0.73 0.76 114.58 120.70 2ch0 h GLU 33 Ca -0.04 0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 2ch0 h GLU 33 Cb 1.34 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.63 2ch0 h GLU 33 CO 0.14 -0.18 -0.48 0.00 -1.00 0.00 0.00 179.01 177.50 2ch0 h ALA 34 N 0.72 0.88 0.00 3.43 0.00 -1.66 -3.36 119.26 119.27 2ch0 h ALA 34 Ca 0.12 -0.43 -0.14 0.00 0.00 0.00 0.00 54.91 54.46 2ch0 h ALA 34 Cb 0.46 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2ch0 h ALA 34 CO -0.36 0.60 -0.68 0.00 0.00 0.00 0.00 179.25 178.81 2ch0 n GLN 36 N -3.57 0.02 -0.04 0.00 -0.00 0.18 -2.13 117.38 111.85 2ch0 n GLN 36 Ca -0.00 0.51 -0.04 0.00 -0.00 0.00 0.00 57.00 57.46 2ch0 n GLN 36 Cb 0.70 -1.59 -0.06 0.00 -0.00 0.00 0.00 30.24 29.29 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 -1.61 2.59 -3.77 2.61 4.07 -1.21 -4.49 120.64 118.83 2ch0 n GLU 37 Ca -0.00 0.00 -0.26 0.00 -0.06 0.00 0.00 57.16 56.84 2ch0 n GLU 37 Cb 0.03 -1.19 0.00 0.00 -0.06 0.00 0.00 31.44 30.22 2ch0 n GLU 37 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 2ch0 n ASN 38 N -2.31 2.72 -0.07 4.31 2.85 -0.90 -1.67 115.26 120.18 2ch0 n ASN 38 Ca -0.12 -2.86 -0.06 0.00 -0.11 0.00 0.00 54.58 51.42 2ch0 n ASN 38 Cb 0.73 -0.06 -0.03 0.00 1.24 0.00 0.00 39.78 41.66 2ch0 n ASN 38 CO 0.00 0.00 0.00 0.07 -2.11 0.00 0.00 177.26 175.22 2ch0 h LYS 39 N 0.00 0.00 -1.44 1.20 5.09 -1.33 -3.39 116.57 116.69 2ch0 h LYS 39 Ca -0.34 0.00 -0.23 0.00 0.09 0.00 0.00 60.65 60.17 2ch0 h LYS 39 Cb 1.26 0.00 -0.24 0.00 0.10 0.00 0.00 32.23 33.35 2ch0 h LYS 39 CO 0.53 0.22 -0.58 0.16 -2.09 0.00 0.00 179.45 177.69 2ch0 s ASP 40 N -5.86 -0.32 0.33 7.07 1.47 -1.26 -3.27 116.67 114.83 2ch0 s ASP 40 Ca -0.12 -1.40 0.26 0.00 1.18 0.00 0.00 52.55 52.47 2ch0 s ASP 40 Cb 0.01 1.27 1.02 0.00 -0.34 0.00 0.00 42.92 44.88 2ch0 s ASP 40 CO 0.24 -0.18 1.78 0.17 0.68 0.00 0.00 175.17 177.86 2ch0 h LEU 41 N 6.59 0.00 -3.97 2.11 -0.00 -1.88 -2.92 115.31 115.24 2ch0 h LEU 41 Ca 0.07 0.00 -0.65 0.00 -0.00 0.00 0.00 57.88 57.30 2ch0 h LEU 41 Cb 1.10 0.00 -0.28 0.00 -0.00 0.00 0.00 40.66 41.48 2ch0 h LEU 41 CO 0.14 0.00 0.84 0.00 -0.00 0.00 0.00 178.44 179.41 2ch0 n GLN 42 N -2.50 2.60 0.03 0.17 1.13 -1.26 -4.89 117.38 112.67 2ch0 n GLN 42 Ca 0.02 -3.16 0.17 0.00 -1.94 0.00 0.00 57.00 52.09 2ch0 n GLN 42 Cb 0.30 -2.24 0.33 0.00 0.11 0.00 0.00 30.24 28.74 2ch0 n GLN 42 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 2ch0 h PRO 43 N 1.89 0.00 -1.61 -1.09 0.13 -1.78 -2.92 132.00 126.62 2ch0 h PRO 43 Ca 0.59 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.78 2ch0 h PRO 43 Cb 0.97 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 31.86 2ch0 h PRO 43 CO 1.51 0.00 0.46 0.71 -0.23 0.00 0.00 178.00 180.45 2ch0 s TYR 44 N -4.28 -0.46 -0.05 1.56 2.02 -1.26 -4.71 117.35 110.17 2ch0 s TYR 44 Ca -0.02 1.02 -0.10 0.00 -0.37 0.00 0.00 57.07 57.60 2ch0 s TYR 44 Cb 0.09 0.39 0.02 0.00 -0.40 0.00 0.00 41.96 42.06 2ch0 s TYR 44 CO 0.30 -0.28 0.25 -1.64 -1.57 0.00 0.00 175.55 172.61 2ch0 s MET 45 N -0.20 0.45 0.97 -0.62 -1.94 -0.75 -4.97 119.30 112.23 2ch0 s MET 45 Ca 0.01 0.05 -0.12 0.00 -1.71 0.00 0.00 55.69 53.92 2ch0 s MET 45 Cb -0.04 0.20 0.17 0.00 2.01 0.00 0.00 34.83 37.18 2ch0 s MET 45 CO -0.03 -0.09 1.09 -1.25 -0.01 0.00 0.00 175.02 174.73 2ch0 s PRO 46 N -0.59 0.69 0.11 2.03 0.04 -1.26 -1.84 135.00 134.18 2ch0 s PRO 46 Ca -0.07 0.59 -0.24 0.00 0.04 0.00 0.00 61.00 61.31 2ch0 s PRO 46 Cb -0.04 -1.76 -0.10 0.00 0.04 0.00 0.00 34.50 32.64 2ch0 s PRO 46 CO 0.02 -2.57 1.69 0.82 0.04 0.00 0.00 177.00 176.99 2ch0 h ILE 47 N -1.78 0.70 0.00 0.56 2.04 -1.90 0.58 117.51 117.70 2ch0 h ILE 47 Ca -0.53 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.33 2ch0 h ILE 47 Cb 1.32 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 2ch0 h ILE 47 CO 0.57 0.00 0.37 -0.81 0.00 0.00 0.00 178.15 178.28 2ch0 n PRO 48 N -5.25 0.07 -0.07 2.37 -0.05 -1.26 -1.72 135.00 129.09 2ch0 n PRO 48 Ca -0.06 0.53 -0.07 0.00 -0.05 0.00 0.00 63.50 63.84 2ch0 n PRO 48 Cb 0.17 -2.10 -0.01 0.00 -0.05 0.00 0.00 33.50 31.52 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 0.07 0.05 0.54 2.76 -1.20 1.26 115.15 118.63 2ch0 h HIS 49 Ca 0.00 0.02 -0.20 0.00 -2.20 0.00 0.00 60.37 57.99 2ch0 h HIS 49 Cb 0.73 0.01 0.02 0.00 1.55 0.00 0.00 27.41 29.72 2ch0 h HIS 49 CO 0.00 0.01 -0.79 -0.24 -1.30 0.00 0.00 177.93 175.61 2ch0 h VAL 50 N 0.14 1.41 0.00 5.26 3.04 -1.73 -3.12 116.25 121.26 2ch0 h VAL 50 Ca 0.13 -2.26 -0.04 0.00 -1.01 0.00 0.00 66.70 63.51 2ch0 h VAL 50 Cb 0.14 2.74 -0.01 0.00 -2.01 0.00 0.00 31.29 32.15 2ch0 h VAL 50 CO -0.17 0.66 -0.19 0.03 -1.01 0.00 0.00 177.57 176.88 2ch0 h ARG 51 N -0.06 0.00 0.00 4.17 3.08 -1.27 -2.47 114.38 117.83 2ch0 h ARG 51 Ca -0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.94 2ch0 h ARG 51 Cb 1.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.57 2ch0 h ARG 51 CO 0.15 0.19 0.00 -0.40 -1.07 0.00 0.00 179.97 178.85 2ch0 n ASP 52 N -4.26 0.56 0.06 7.04 5.68 0.43 -4.35 116.55 121.70 2ch0 n ASP 52 Ca -0.02 0.57 0.12 0.00 -0.50 0.00 0.00 54.79 54.96 2ch0 n ASP 52 Cb 0.26 -0.71 0.18 0.00 -1.14 0.00 0.00 41.12 39.71 2ch0 n ASP 52 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2ch0 n SER 53 N -2.04 0.69 0.28 -1.12 7.64 -0.93 -4.31 113.62 113.83 2ch0 n SER 53 Ca 0.05 0.12 0.17 0.00 1.01 0.00 0.00 58.87 60.22 2ch0 n SER 53 Cb 0.35 0.14 0.80 0.00 -1.01 0.00 0.00 64.21 64.49 2ch0 n SER 53 CO 0.00 0.00 0.00 0.17 -3.01 0.00 0.00 175.04 172.20 2ch0 h LEU 54 N 0.00 0.00 -7.13 -3.43 -0.00 -1.76 -3.40 115.31 99.60 2ch0 h LEU 54 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.82 2ch0 h LEU 54 Cb 0.73 0.00 -0.24 0.00 -0.00 0.00 0.00 40.66 41.15 2ch0 h LEU 54 CO 0.00 0.04 -0.17 -0.63 -0.00 0.00 0.00 178.44 177.68 2ch0 s ILE 55 N -3.86 -0.04 -0.00 0.15 1.09 -1.26 -4.77 121.20 112.51 2ch0 s ILE 55 Ca -0.01 0.06 -0.00 0.00 -1.10 0.00 0.00 60.65 59.59 2ch0 s ILE 55 Cb 0.11 -0.77 -0.26 0.00 -1.06 0.00 0.00 42.46 40.47 2ch0 s ILE 55 CO 0.53 0.02 0.83 1.56 -0.10 0.00 0.00 174.94 177.78 2ch0 h GLN 56 N 7.10 0.19 0.00 2.79 7.50 -1.78 -3.37 115.11 127.55 2ch0 h GLN 56 Ca -0.33 -0.33 0.00 0.00 0.50 0.00 0.00 58.65 58.48 2ch0 h GLN 56 Cb 1.20 0.12 0.00 0.00 0.05 0.00 0.00 27.48 28.85 2ch0 h GLN 56 CO 0.24 1.02 0.00 -0.35 -1.50 0.00 0.00 178.83 178.24 2ch0 n PRO 57 N -3.39 0.00 0.15 1.46 -0.04 -1.26 -4.79 135.00 127.13 2ch0 n PRO 57 Ca -0.16 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.32 2ch0 n PRO 57 Cb 1.04 0.00 0.18 0.00 -0.04 0.00 0.00 33.50 34.67 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 -0.23 0.54 2.76 -2.00 -3.16 115.15 113.06 2ch0 h HIS 58 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2ch0 h HIS 58 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.96 2ch0 h HIS 58 CO 0.00 0.52 0.00 -0.25 -1.30 0.00 0.00 177.93 176.90 2ch0 n ASP 59 N -3.46 1.42 0.27 3.26 8.00 -1.26 -4.59 116.55 120.19 2ch0 n ASP 59 Ca 0.00 -1.88 -0.17 0.00 0.71 0.00 0.00 54.79 53.45 2ch0 n ASP 59 Cb 0.64 -0.15 -0.09 0.00 -0.02 0.00 0.00 41.12 41.49 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 1.66 -0.91 0.00 -1.24 -0.00 -1.72 -3.23 114.38 108.94 2ch0 h ARG 60 Ca 0.00 0.06 -0.01 0.00 -0.00 0.00 0.00 59.98 60.04 2ch0 h ARG 60 Cb 0.37 0.21 -0.00 0.00 -0.00 0.00 0.00 29.97 30.55 2ch0 h ARG 60 CO 0.00 -0.61 -0.03 -0.22 -0.00 0.00 0.00 179.97 179.11 2ch0 h LYS 61 N -0.95 0.00 -0.35 0.08 3.11 -1.85 -3.12 116.57 113.48 2ch0 h LYS 61 Ca -0.06 0.00 0.10 0.00 -2.81 0.00 0.00 60.65 57.88 2ch0 h LYS 61 Cb 0.82 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.04 2ch0 h LYS 61 CO -0.07 0.03 0.50 -0.22 -2.81 0.00 0.00 179.45 176.89 2ch0 h LYS 62 N 0.00 0.00 -0.16 1.90 3.64 -1.89 -0.03 116.57 120.02 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 0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2ch0 h LYS 62 CO 0.00 0.00 0.00 -1.33 -2.27 0.00 0.00 179.45 175.85 2ch0 n MET 63 N -3.44 2.71 0.04 1.90 2.81 -1.18 -4.58 117.12 115.39 2ch0 n MET 63 Ca 0.06 -1.71 -0.08 0.00 -1.81 0.00 0.00 57.70 54.16 2ch0 n MET 63 Cb 0.65 -1.13 0.08 0.00 -0.71 0.00 0.00 33.22 32.11 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 1.03 0.42 -0.66 0.03 3.64 -1.11 -1.41 116.57 118.51 2ch0 h LYS 64 Ca 0.00 -0.28 -0.06 0.00 -1.27 0.00 0.00 60.65 59.04 2ch0 h LYS 64 Cb 0.59 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 2ch0 h LYS 64 CO 0.00 0.89 0.16 0.87 -2.27 0.00 0.00 179.45 179.10 2ch0 h LYS 65 N 0.32 1.04 0.01 1.90 1.79 -1.78 -2.68 116.57 117.17 2ch0 h LYS 65 Ca -0.00 -0.24 -0.19 0.00 -2.18 0.00 0.00 60.65 58.04 2ch0 h LYS 65 Cb 1.12 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 31.61 2ch0 h LYS 65 CO 0.10 0.92 -0.87 -0.24 -1.08 0.00 0.00 179.45 178.29 2ch0 h VAL 66 N 1.00 1.54 -0.20 0.50 3.04 -1.83 -3.27 116.25 117.02 2ch0 h VAL 66 Ca 0.21 -2.73 0.05 0.00 -1.01 0.00 0.00 66.70 63.22 2ch0 h VAL 66 Cb 0.35 2.51 -0.01 0.00 -2.01 0.00 0.00 31.29 32.13 2ch0 h VAL 66 CO 0.00 0.79 0.14 -0.25 -1.01 0.00 0.00 177.57 177.24 2ch0 h TRP 67 N 0.06 0.05 -0.50 3.17 2.91 -1.07 0.30 115.95 120.88 2ch0 h TRP 67 Ca -0.03 0.00 0.06 0.00 1.13 0.00 0.00 58.89 60.05 2ch0 h TRP 67 Cb 1.50 -0.02 -0.05 0.00 -0.51 0.00 0.00 29.16 30.08 2ch0 h TRP 67 CO 0.02 0.03 0.19 -0.44 -1.03 0.00 0.00 178.44 177.21 2ch0 h ASP 68 N 0.05 0.22 0.01 2.65 3.32 -1.53 0.49 116.42 121.62 2ch0 h ASP 68 Ca 0.09 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 2ch0 h ASP 68 Cb 0.30 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2ch0 h ASP 68 CO -0.01 0.15 -0.10 -0.09 -1.72 0.00 0.00 179.24 177.48 2ch0 h ARG 69 N 0.38 0.06 -0.70 3.56 9.65 -1.66 -3.38 114.38 122.29 2ch0 h ARG 69 Ca 0.24 -0.07 0.20 0.00 -1.10 0.00 0.00 59.98 59.25 2ch0 h ARG 69 Cb 0.23 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.81 2ch0 h ARG 69 CO -0.23 0.91 0.50 0.00 2.80 0.00 0.00 179.97 183.95 2ch0 h ALA 70 N 0.15 2.64 -0.96 2.80 0.00 -0.31 -1.11 119.26 122.48 2ch0 h ALA 70 Ca -0.01 -0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.06 2ch0 h ALA 70 Cb 0.95 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.70 2ch0 h ALA 70 CO 0.02 -0.84 0.61 0.28 0.00 0.00 0.00 179.25 179.31 2ch0 h VAL 71 N 0.01 0.71 -0.90 0.00 2.07 -1.07 -1.39 116.25 115.68 2ch0 h VAL 71 Ca 0.33 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.66 2ch0 h VAL 71 Cb 1.32 0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 2ch0 h VAL 71 CO -0.01 0.11 0.60 -0.78 0.02 0.00 0.00 177.57 177.51 2ch0 h ASP 72 N 0.61 1.03 0.03 0.57 3.58 -1.42 0.35 116.42 121.18 2ch0 h ASP 72 Ca 0.52 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.94 2ch0 h ASP 72 Cb 1.00 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.80 2ch0 h ASP 72 CO -0.27 0.74 -0.02 -0.26 -2.88 0.00 0.00 179.24 176.56 2ch0 h PHE 73 N 1.21 -0.04 0.08 0.28 0.04 -1.59 -3.21 116.94 113.71 2ch0 h PHE 73 Ca 0.33 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.10 2ch0 h PHE 73 Cb -0.12 0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.04 2ch0 h PHE 73 CO -0.01 0.50 -0.04 1.25 -0.60 0.00 0.00 178.31 179.41 2ch0 h LEU 74 N -0.61 -0.09 -0.69 1.54 5.85 -1.18 -3.29 115.31 116.83 2ch0 h LEU 74 Ca -0.00 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.42 2ch0 h LEU 74 Cb 0.56 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.61 2ch0 h LEU 74 CO 0.01 0.25 0.04 0.00 -0.34 0.00 0.00 178.44 178.40 2ch0 n ALA 75 N -2.31 0.95 0.34 1.25 0.00 0.12 -0.10 120.51 120.77 2ch0 n ALA 75 Ca -0.08 0.10 0.15 0.00 0.00 0.00 0.00 53.44 53.60 2ch0 n ALA 75 Cb 0.20 -1.09 0.54 0.00 0.00 0.00 0.00 19.45 19.10 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 1.87 1.00 0.00 0.00 0.00 -1.62 -3.39 119.26 117.12 2ch0 h ALA 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ch0 h ALA 76 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2ch0 h ALA 76 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 179.25 179.52 2ch0 n ASN 77 N -2.74 0.00 -3.57 0.00 0.23 -0.86 -4.93 115.26 103.39 2ch0 n ASN 77 Ca 0.02 0.00 -0.21 0.00 -0.53 0.00 0.00 54.58 53.86 2ch0 n ASN 77 Cb 0.32 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 37.87 2ch0 n ASN 77 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 2ch0 s GLU 78 N -0.19 0.10 -0.30 -3.83 2.12 0.85 -5.08 118.70 112.38 2ch0 s GLU 78 Ca 0.00 0.16 -0.20 0.00 0.36 0.00 0.00 54.97 55.29 2ch0 s GLU 78 Cb 0.00 -1.28 0.20 0.00 0.26 0.00 0.00 34.13 33.31 2ch0 s GLU 78 CO 0.00 -0.59 1.33 -1.12 -0.54 0.00 0.00 175.26 174.33 2ch0 s SER 79 N 2.24 -0.00 0.00 -1.70 0.01 -1.26 -3.63 113.70 109.35 2ch0 s SER 79 Ca 0.04 0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.30 2ch0 s SER 79 Cb -0.15 1.00 0.00 0.00 0.21 0.00 0.00 66.02 67.08 2ch0 s SER 79 CO -0.09 -0.00 0.37 -1.14 0.41 0.00 0.00 173.24 172.78 2ch0 n ARG 80 N 4.57 -0.57 -2.93 12.44 0.63 -1.26 -5.03 116.66 124.51 2ch0 n ARG 80 Ca -0.06 -0.37 -0.40 0.00 -0.92 0.00 0.00 57.85 56.10 2ch0 n ARG 80 Cb 0.56 -0.86 -0.05 0.00 0.45 0.00 0.00 32.46 32.55 2ch0 n ARG 80 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 2ch0 s VAL 81 N -0.02 4.58 0.05 5.15 -7.23 -1.26 -4.25 120.40 117.42 2ch0 s VAL 81 Ca 0.00 1.74 0.01 0.00 -1.81 0.00 0.00 61.98 61.92 2ch0 s VAL 81 Cb 0.00 -4.16 -0.04 0.00 0.56 0.00 0.00 36.38 32.74 2ch0 s VAL 81 CO 0.00 0.40 0.11 0.00 -0.31 0.00 0.00 175.10 175.29 2ch0 s ARG 82 N -0.34 3.06 -0.36 4.82 1.70 -0.97 -4.84 118.95 122.01 2ch0 s ARG 82 Ca 0.39 -0.57 -0.16 0.00 -0.47 0.00 0.00 55.73 54.93 2ch0 s ARG 82 Cb -0.22 -2.84 -0.00 0.00 -0.57 0.00 0.00 34.95 31.32 2ch0 s ARG 82 CO 0.25 0.60 0.37 0.99 -1.08 0.00 0.00 175.30 176.43 2ch0 s THR 83 N -1.35 5.16 0.05 4.99 2.01 -1.26 -1.59 115.64 123.66 2ch0 s THR 83 Ca 0.28 -0.11 0.09 0.00 0.31 0.00 0.00 61.69 62.26 2ch0 s THR 83 Cb -0.12 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.48 2ch0 s THR 83 CO 0.20 -0.18 -0.25 -0.70 -0.69 0.00 0.00 174.62 173.01 2ch0 s GLU 84 N 2.01 1.84 -0.42 4.92 2.12 -0.65 -4.91 118.70 123.60 2ch0 s GLU 84 Ca 0.11 -1.09 -0.18 0.00 0.36 0.00 0.00 54.97 54.16 2ch0 s GLU 84 Cb -0.17 -2.02 0.02 0.00 0.26 0.00 0.00 34.13 32.23 2ch0 s GLU 84 CO 0.12 0.52 0.50 0.99 -0.54 0.00 0.00 175.26 176.85 2ch0 s THR 85 N -0.83 5.00 -0.03 -1.70 2.01 -1.26 -1.12 115.64 117.71 2ch0 s THR 85 Ca 0.12 -0.17 -0.12 0.00 0.31 0.00 0.00 61.69 61.83 2ch0 s THR 85 Cb -0.10 -4.09 0.02 0.00 0.01 0.00 0.00 72.50 68.34 2ch0 s THR 85 CO 0.03 -0.47 0.27 -0.60 -0.69 0.00 0.00 174.62 173.16 2ch0 s ARG 86 N 2.36 0.57 -0.26 4.92 6.06 -0.97 -4.94 118.95 126.69 2ch0 s ARG 86 Ca 0.16 -0.14 -0.24 0.00 -2.50 0.00 0.00 55.73 53.01 2ch0 s ARG 86 Cb -0.16 0.25 -0.01 0.00 0.06 0.00 0.00 34.95 35.09 2ch0 s ARG 86 CO 0.15 -0.14 0.79 0.50 -2.50 0.00 0.00 175.30 174.10 2ch0 s ARG 87 N -1.08 4.13 -0.05 5.12 3.00 -1.26 -2.40 118.95 126.41 2ch0 s ARG 87 Ca -0.11 0.80 -0.00 0.00 -1.00 0.00 0.00 55.73 55.42 2ch0 s ARG 87 Cb -0.05 -3.66 0.03 0.00 0.00 0.00 0.00 34.95 31.26 2ch0 s ARG 87 CO 0.03 -0.53 0.00 0.96 0.00 0.00 0.00 175.30 175.76 2ch0 s ILE 88 N 2.81 0.28 -1.45 4.11 -0.00 0.77 -4.80 121.20 122.92 2ch0 s ILE 88 Ca 0.33 0.11 0.00 0.00 -0.00 0.00 0.00 60.65 61.09 2ch0 s ILE 88 Cb -0.15 -0.40 0.00 0.00 -0.00 0.00 0.00 42.46 41.91 2ch0 s ILE 88 CO 0.09 0.21 0.00 0.61 -0.00 0.00 0.00 174.94 175.84 2ch0 n GLY 89 N 4.64 1.32 1.12 6.27 0.00 -1.26 -2.02 105.19 115.26 2ch0 n GLY 89 Ca -0.16 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.26 0.75 3.03 -0.02 0.00 -1.26 -5.08 105.19 101.35 2ch0 n GLY 90 Ca -0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.43 0.94 -0.32 4.61 0.00 -0.86 -5.08 121.76 118.63 2ch0 s ALA 91 Ca 0.00 -0.42 -0.16 0.00 0.00 0.00 0.00 51.96 51.38 2ch0 s ALA 91 Cb 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 2ch0 s ALA 91 CO 0.00 0.18 0.43 0.16 0.00 0.00 0.00 175.76 176.54 2ch0 s ASP 92 N 0.00 6.27 0.43 0.00 -4.77 -1.26 -0.16 116.67 117.18 2ch0 s ASP 92 Ca -0.00 0.05 0.03 0.00 -3.30 0.00 0.00 52.55 49.34 2ch0 s ASP 92 Cb -0.07 -2.23 -0.04 0.00 -1.09 0.00 0.00 42.92 39.49 2ch0 s ASP 92 CO 0.00 -0.34 0.05 -0.36 0.70 0.00 0.00 175.17 175.22 2ch0 s PHE 93 N 2.19 1.97 -0.45 2.11 0.08 -1.01 -4.87 117.98 118.01 2ch0 s PHE 93 Ca 0.16 -1.00 -0.23 0.00 0.12 0.00 0.00 56.93 55.98 2ch0 s PHE 93 Cb -0.16 -1.45 0.03 0.00 -0.57 0.00 0.00 43.02 40.87 2ch0 s PHE 93 CO 0.12 0.07 0.77 -0.51 -0.10 0.00 0.00 175.22 175.57 2ch0 s LEU 94 N -3.70 4.29 -0.10 -0.37 1.43 -1.26 -2.30 118.68 116.67 2ch0 s LEU 94 Ca 0.22 -0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 53.16 2ch0 s LEU 94 Cb 0.05 -2.93 -0.03 0.00 0.03 0.00 0.00 46.19 43.30 2ch0 s LEU 94 CO 0.11 -0.91 -0.04 0.54 0.23 0.00 0.00 176.35 176.28 2ch0 s VAL 95 N 3.24 3.88 -0.19 -1.59 0.11 -0.28 -4.36 120.40 121.21 2ch0 s VAL 95 Ca 0.29 -0.39 -0.09 0.00 -2.93 0.00 0.00 61.98 58.86 2ch0 s VAL 95 Cb -0.12 -2.64 -0.04 0.00 -1.53 0.00 0.00 36.38 32.05 2ch0 s VAL 95 CO 0.22 0.56 0.09 0.86 -3.33 0.00 0.00 175.10 173.51 2ch0 s TRP 96 N -0.38 3.31 0.01 1.54 -0.11 -0.77 -1.64 118.94 120.90 2ch0 s TRP 96 Ca 0.06 0.17 0.02 0.00 1.22 0.00 0.00 56.10 57.57 2ch0 s TRP 96 Cb -0.12 -2.12 -0.01 0.00 -1.50 0.00 0.00 33.47 29.72 2ch0 s TRP 96 CO 0.02 0.20 -0.05 -0.98 -4.62 0.00 0.00 176.95 171.52 2ch0 s ARG 97 N 0.40 0.42 -0.24 5.86 1.70 -0.62 -1.82 118.95 124.65 2ch0 s ARG 97 Ca 0.05 -0.31 -0.22 0.00 -0.47 0.00 0.00 55.73 54.78 2ch0 s ARG 97 Cb -0.12 -0.35 -0.01 0.00 -0.57 0.00 0.00 34.95 33.90 2ch0 s ARG 97 CO -0.01 0.09 0.71 -0.46 -1.08 0.00 0.00 175.30 174.55 2ch0 s TRP 98 N -0.43 3.30 0.02 5.89 -0.11 -1.10 -2.30 118.94 124.21 2ch0 s TRP 98 Ca -0.01 0.95 0.03 0.00 1.22 0.00 0.00 56.10 58.29 2ch0 s TRP 98 Cb -0.04 -2.91 -0.04 0.00 -1.50 0.00 0.00 33.47 28.98 2ch0 s TRP 98 CO -0.00 -0.34 -0.02 0.96 -4.62 0.00 0.00 176.95 172.93 2ch0 s ILE 99 N 2.56 3.98 -0.25 5.86 -4.36 -1.26 -4.60 121.20 123.13 2ch0 s ILE 99 Ca 0.30 -0.72 -0.03 0.00 -0.26 0.00 0.00 60.65 59.93 2ch0 s ILE 99 Cb -0.15 -2.79 0.10 0.00 1.25 0.00 0.00 42.46 40.87 2ch0 s ILE 99 CO 0.08 0.33 0.20 -1.10 0.24 0.00 0.00 174.94 174.69 2ch0 s GLN 100 N -1.65 0.21 0.28 0.37 -1.52 -1.20 -4.89 119.66 111.26 2ch0 s GLN 100 Ca 0.20 -0.15 -0.29 0.00 -1.95 0.00 0.00 55.36 53.16 2ch0 s GLN 100 Cb -0.11 -1.13 -0.10 0.00 -0.22 0.00 0.00 33.01 31.45 2ch0 s GLN 100 CO 0.11 -0.87 1.39 -2.14 -0.25 0.00 0.00 175.29 173.53 2ch0 s PRO 101 N 2.24 4.29 5.46 2.91 0.02 -1.26 -4.73 135.00 143.93 2ch0 s PRO 101 Ca 0.08 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.38 2ch0 s PRO 101 Cb -0.15 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.28 2ch0 s PRO 101 CO -0.25 -0.35 0.00 -1.13 -0.33 0.00 0.00 177.00 174.94 2ch0 n SER 102 N 1.70 0.00 -0.15 2.53 3.41 -1.26 -5.05 113.62 114.79 2ch0 n SER 102 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 2ch0 n SER 102 Cb 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 2ch0 n SER 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ch0 n ALA 103 N 7.20 0.00 0.71 7.33 0.00 -1.26 -4.47 120.51 130.02 2ch0 n ALA 103 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 2ch0 n ALA 103 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.54 2ch0 n ALA 103 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ch0 n SER 104 N -1.06 2.64 0.00 0.00 3.41 -0.67 -4.99 113.62 112.95 2ch0 n SER 104 Ca 0.00 -1.80 0.00 0.00 -0.26 0.00 0.00 58.87 56.81 2ch0 n SER 104 Cb 0.00 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 2ch0 n SER 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ch0 n ASP 106 N 2.20 -2.25 -4.74 0.00 8.00 -1.26 -1.10 116.55 117.39 2ch0 n ASP 106 Ca 0.00 0.10 -0.35 0.00 0.71 0.00 0.00 54.79 55.25 2ch0 n ASP 106 Cb 0.00 0.56 -0.08 0.00 -0.02 0.00 0.00 41.12 41.58 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 -4.47 3.07 -1.11 -1.24 2.47 -1.26 -4.88 119.74 112.32 2ch0 s LYS 107 Ca 0.00 -0.39 -0.22 0.00 -1.56 0.00 0.00 55.97 53.80 2ch0 s LYS 107 Cb 0.00 -2.87 0.03 0.00 -1.46 0.00 0.00 37.83 33.53 2ch0 s LYS 107 CO 0.00 0.70 1.66 0.96 0.16 0.00 0.00 175.35 178.82 2ch0 s ILE 108 N -1.00 3.88 -2.38 5.43 -4.36 -1.26 -4.78 121.20 116.73 2ch0 s ILE 108 Ca 0.16 -1.07 0.22 0.00 -0.26 0.00 0.00 60.65 59.70 2ch0 s ILE 108 Cb -0.12 -4.90 0.45 0.00 1.25 0.00 0.00 42.46 39.14 2ch0 s ILE 108 CO 0.06 -1.73 1.53 0.00 0.24 0.00 0.00 174.94 175.04 2ch0 n LEU 109 N 10.01 2.03 -1.31 0.37 -0.00 -1.26 -4.96 117.00 121.88 2ch0 n LEU 109 Ca 0.40 -0.83 0.00 0.00 -0.00 0.00 0.00 56.01 55.58 2ch0 n LEU 109 Cb 0.48 -0.11 0.00 0.00 -0.00 0.00 0.00 43.42 43.79 2ch0 n LEU 109 CO 0.69 0.41 0.00 0.52 -0.00 0.00 0.00 177.39 179.01 2ch0 n VAL 110 N 0.57 -1.75 -4.01 1.47 0.31 -1.26 -5.12 118.33 108.54 2ch0 n VAL 110 Ca 0.17 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 64.14 2ch0 n VAL 110 Cb 0.40 -3.50 -0.07 0.00 -0.91 0.00 0.00 33.84 29.75 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 -0.67 5.19 -0.67 2.52 2.07 -1.26 -5.04 121.20 123.34 2ch0 s ILE 111 Ca 0.00 0.07 -0.26 0.00 -1.41 0.00 0.00 60.65 59.05 2ch0 s ILE 111 Cb 0.00 -3.26 -0.06 0.00 0.13 0.00 0.00 42.46 39.27 2ch0 s ILE 111 CO 0.00 0.60 2.15 -2.84 -1.91 0.00 0.00 174.94 172.93 2ch0 s PRO 112 N -1.05 2.25 0.00 3.50 0.02 -1.26 -4.26 135.00 134.20 2ch0 s PRO 112 Ca 0.15 0.64 0.00 0.00 0.02 0.00 0.00 61.00 61.81 2ch0 s PRO 112 Cb -0.12 -4.66 0.00 0.00 0.02 0.00 0.00 34.50 29.74 2ch0 s PRO 112 CO 0.04 -3.36 0.00 0.43 -0.33 0.00 0.00 177.00 173.78 2ch0 n SER 113 N 15.10 0.00 0.00 2.53 7.64 -1.26 -5.04 113.62 132.59 2ch0 n SER 113 Ca 0.34 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.22 2ch0 n SER 113 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 2ch0 n SER 113 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2ch0 n LYS 114 N -0.50 0.00 -0.05 1.43 5.02 -1.26 -3.55 118.16 119.25 2ch0 n LYS 114 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 2ch0 n LYS 114 Cb 0.00 -0.05 0.05 0.00 -0.02 0.00 0.00 35.03 35.01 2ch0 n LYS 114 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2ch0 n VAL 115 N 0.00 1.19 0.00 -0.18 0.24 -1.26 -5.04 118.33 113.28 2ch0 n VAL 115 Ca 0.00 -1.24 0.00 0.00 -2.04 0.00 0.00 64.34 61.06 2ch0 n VAL 115 Cb 0.00 0.35 0.00 0.00 -1.47 0.00 0.00 33.84 32.72 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 -0.52 0.00 0.48 6.34 8.01 -1.23 -3.87 117.44 126.65 2ch0 n TRP 116 Ca 0.05 0.00 0.12 0.00 -1.31 0.00 0.00 57.50 56.36 2ch0 n TRP 116 Cb 0.36 0.00 0.20 0.00 -2.01 0.00 0.00 31.31 29.86 2ch0 n TRP 116 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 177.69 176.12 2ch0 h GLN 117 N 0.00 0.00 0.00 -0.99 3.07 -1.96 -3.47 115.11 111.76 2ch0 h GLN 117 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2ch0 h GLN 117 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 2ch0 h GLN 117 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.33 2ch0 n GLY 118 N 1.28 2.49 0.07 0.06 0.00 -1.25 -4.82 105.19 103.01 2ch0 n GLY 118 Ca 0.03 -0.14 -0.07 0.00 0.00 0.00 0.00 46.02 45.84 2ch0 n GLY 118 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2ch0 h GLN 119 N 0.00 -0.02 0.00 1.61 4.15 -1.95 -3.48 115.11 115.41 2ch0 h GLN 119 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2ch0 h GLN 119 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 2ch0 h GLN 119 CO 0.00 0.47 0.00 0.00 -1.93 0.00 0.00 178.83 177.37 2ch0 n ALA 120 N -2.68 0.00 -3.60 3.38 0.00 -1.26 -4.49 120.51 111.86 2ch0 n ALA 120 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.10 2ch0 n ALA 120 Cb 0.24 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.54 2ch0 n ALA 120 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2ch0 s PHE 121 N 0.00 0.56 -0.81 0.00 5.36 -1.26 -5.09 117.98 116.74 2ch0 s PHE 121 Ca 0.00 -0.92 -0.17 0.00 -0.96 0.00 0.00 56.93 54.88 2ch0 s PHE 121 Cb 0.00 -1.00 0.15 0.00 -0.34 0.00 0.00 43.02 41.83 2ch0 s PHE 121 CO 0.00 -0.77 0.91 -1.58 -1.46 0.00 0.00 175.22 172.32 2ch0 s HIS 122 N 2.02 3.27 0.76 10.12 5.65 -1.26 -5.05 115.29 130.80 2ch0 s HIS 122 Ca 0.07 -1.45 -0.04 0.00 0.25 0.00 0.00 55.06 53.90 2ch0 s HIS 122 Cb -0.16 -4.08 0.14 0.00 -1.18 0.00 0.00 32.58 27.29 2ch0 s HIS 122 CO -0.29 -1.30 1.05 -0.48 -0.65 0.00 0.00 174.74 173.08 2ch0 s LEU 123 N 1.95 2.93 0.11 8.88 2.34 -1.26 -5.14 118.68 128.49 2ch0 s LEU 123 Ca 0.23 -0.21 0.05 0.00 0.06 0.00 0.00 54.13 54.26 2ch0 s LEU 123 Cb -0.11 -2.10 -0.04 0.00 -0.56 0.00 0.00 46.19 43.38 2ch0 s LEU 123 CO -0.05 -1.99 -0.13 1.51 -1.06 0.00 0.00 176.35 174.62 2ch0 s ASP 124 N -4.75 1.84 0.00 1.48 -4.77 -1.26 -4.92 116.67 104.29 2ch0 s ASP 124 Ca 0.67 -0.80 0.00 0.00 -3.30 0.00 0.00 52.55 49.12 2ch0 s ASP 124 Cb -0.05 -0.05 0.00 0.00 -1.09 0.00 0.00 42.92 41.73 2ch0 s ASP 124 CO 0.46 -0.17 0.00 0.54 0.70 0.00 0.00 175.17 176.70 2ch0 n ARG 125 N 0.59 0.00 -2.04 2.11 5.12 -1.26 -4.47 116.66 116.71 2ch0 n ARG 125 Ca -0.16 0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 55.76 2ch0 n ARG 125 Cb 0.57 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.87 2ch0 n ARG 125 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2ch0 n ARG 126 N 0.00 -0.10 0.08 5.56 1.74 -1.26 -5.03 116.66 117.65 2ch0 n ARG 126 Ca 0.00 0.01 0.12 0.00 -0.77 0.00 0.00 57.85 57.21 2ch0 n ARG 126 Cb 0.00 -2.55 0.21 0.00 -1.02 0.00 0.00 32.46 29.09 2ch0 n ARG 126 CO 0.00 0.00 0.00 1.37 -1.52 0.00 0.00 177.63 177.48 2ch0 h LEU 127 N -0.03 0.00 -3.89 0.55 -0.00 -2.03 -3.40 115.31 106.51 2ch0 h LEU 127 Ca -0.01 -0.14 -0.26 0.00 -0.00 0.00 0.00 57.88 57.47 2ch0 h LEU 127 Cb 1.01 0.00 -0.10 0.00 -0.00 0.00 0.00 40.66 41.57 2ch0 h LEU 127 CO 0.01 0.07 0.01 -1.84 -0.00 0.00 0.00 178.44 176.69 2ch0 n GLU 128 N -2.23 1.90 -4.02 0.17 0.28 -1.26 -4.80 120.64 110.68 2ch0 n GLU 128 Ca 0.04 -1.27 -0.09 0.00 -0.16 0.00 0.00 57.16 55.68 2ch0 n GLU 128 Cb 0.45 -1.80 -0.11 0.00 1.43 0.00 0.00 31.44 31.41 2ch0 n GLU 128 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2ch0 s ARG 129 N -0.34 0.43 -1.21 3.44 0.52 -1.26 -5.08 118.95 115.45 2ch0 s ARG 129 Ca 0.48 -0.83 -0.15 0.00 -0.52 0.00 0.00 55.73 54.70 2ch0 s ARG 129 Cb 0.27 0.12 -0.05 0.00 0.52 0.00 0.00 34.95 35.80 2ch0 s ARG 129 CO -0.06 -0.06 2.24 -0.35 0.02 0.00 0.00 175.30 177.08 2ch0 n PRO 130 N 1.06 2.48 0.00 3.54 -0.04 -1.26 -4.40 135.00 136.39 2ch0 n PRO 130 Ca -0.20 -2.17 0.00 0.00 -0.04 0.00 0.00 63.50 61.09 2ch0 n PRO 130 Cb 0.57 -2.99 0.00 0.00 -0.04 0.00 0.00 33.50 31.04 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 5.88 0.00 -2.90 0.54 -0.00 -1.26 -4.94 115.22 112.53 2ch0 n HIS 131 Ca 0.55 0.00 -0.44 0.00 0.46 0.00 0.00 57.72 58.29 2ch0 n HIS 131 Cb 0.34 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.20 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 -0.41 3.90 0.00 1.57 3.52 -1.26 -5.25 118.95 121.02 2ch0 s ARG 132 Ca 0.00 -2.21 0.15 0.00 -0.13 0.00 0.00 55.73 53.54 2ch0 s ARG 132 Cb 0.00 -5.06 0.12 0.00 -1.56 0.00 0.00 34.95 28.45 2ch0 s ARG 132 CO 0.00 -1.82 0.97 -0.25 -0.81 0.00 0.00 175.30 173.39