#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 4.61 1.00 1.61 1.04 -1.26 -5.13 113.70 115.58 2ch0 s SER 2 Ca 0.00 -2.84 -0.01 0.00 0.48 0.00 0.00 55.95 53.58 2ch0 s SER 2 Cb 0.00 -1.69 0.01 0.00 0.10 0.00 0.00 66.02 64.44 2ch0 s SER 2 CO 0.00 -0.29 0.08 -2.65 0.98 0.00 0.00 173.24 171.36 2ch0 n PRO 3 N 3.39 -0.34 0.04 4.02 -0.02 -1.26 -5.03 135.00 135.80 2ch0 n PRO 3 Ca 0.05 -0.12 -0.04 0.00 -2.02 0.00 0.00 63.50 61.37 2ch0 n PRO 3 Cb 0.35 -0.09 -0.09 0.00 -0.02 0.00 0.00 33.50 33.65 2ch0 n PRO 3 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2ch0 h GLU 4 N 0.00 0.00 0.00 -0.52 4.22 -2.08 -3.48 114.58 112.72 2ch0 h GLU 4 Ca -0.03 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.41 2ch0 h GLU 4 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2ch0 h GLU 4 CO 0.02 0.55 0.00 0.34 -2.18 0.00 0.00 179.01 177.74 2ch0 n PHE 5 N -3.10 0.00 -3.06 0.92 7.35 -1.26 -4.89 117.46 113.42 2ch0 n PHE 5 Ca -0.08 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.41 2ch0 n PHE 5 Cb 0.91 0.00 0.02 0.00 0.35 0.00 0.00 39.48 40.76 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 0.00 -1.06 -0.06 -4.13 0.00 -1.26 -5.06 116.66 105.08 2ch0 n ARG 6 Ca 0.00 1.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.85 2ch0 n ARG 6 Cb 0.00 -1.36 0.00 0.00 -0.00 0.00 0.00 32.46 31.10 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 0.42 0.00 0.15 2.89 2.14 -1.26 -5.05 117.44 116.73 2ch0 n TRP 7 Ca -0.05 0.00 0.08 0.00 2.07 0.00 0.00 57.50 59.60 2ch0 n TRP 7 Cb 0.53 0.00 0.41 0.00 -0.81 0.00 0.00 31.31 31.44 2ch0 n TRP 7 CO 0.00 0.00 0.00 2.41 2.07 0.00 0.00 177.69 182.17 2ch0 n THR 8 N 0.00 0.82 0.16 -1.67 -1.04 -1.26 -2.17 114.28 109.12 2ch0 n THR 8 Ca 0.00 0.72 0.01 0.00 -2.04 0.00 0.00 64.05 62.74 2ch0 n THR 8 Cb 0.00 -1.72 0.24 0.00 -1.82 0.00 0.00 70.33 67.03 2ch0 n THR 8 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2ch0 h LYS 9 N 0.00 0.00 0.00 -2.82 1.63 -2.03 -3.23 116.57 110.12 2ch0 h LYS 9 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2ch0 h LYS 9 Cb 0.37 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 2ch0 h LYS 9 CO 0.00 0.52 0.12 0.39 -3.45 0.00 0.00 179.45 177.03 2ch0 n GLU 10 N -3.80 0.10 0.16 1.90 4.71 -0.92 -0.57 120.64 122.22 2ch0 n GLU 10 Ca -0.01 0.59 0.01 0.00 -0.01 0.00 0.00 57.16 57.73 2ch0 n GLU 10 Cb 0.55 -1.96 0.29 0.00 -1.01 0.00 0.00 31.44 29.31 2ch0 n GLU 10 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 2ch0 h GLU 11 N 0.00 0.03 -0.08 3.49 4.39 -1.79 -1.83 114.58 118.79 2ch0 h GLU 11 Ca 0.00 -0.01 -0.24 0.00 0.34 0.00 0.00 59.36 59.45 2ch0 h GLU 11 Cb 0.24 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.90 2ch0 h GLU 11 CO 0.00 0.46 -0.90 0.93 -1.16 0.00 0.00 179.01 178.35 2ch0 h GLU 12 N 0.02 0.72 -0.37 2.33 4.39 -1.07 -2.29 114.58 118.31 2ch0 h GLU 12 Ca -0.00 -0.67 -0.10 0.00 0.34 0.00 0.00 59.36 58.92 2ch0 h GLU 12 Cb 0.79 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.59 2ch0 h GLU 12 CO 0.06 1.27 -0.19 0.93 -1.16 0.00 0.00 179.01 179.91 2ch0 h GLU 13 N 0.46 0.70 0.00 2.33 4.39 -1.63 -3.32 114.58 117.51 2ch0 h GLU 13 Ca -0.09 -0.26 -0.14 0.00 0.34 0.00 0.00 59.36 59.21 2ch0 h GLU 13 Cb 1.53 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 30.12 2ch0 h GLU 13 CO 0.18 0.85 -0.66 1.79 -1.16 0.00 0.00 179.01 180.00 2ch0 h THR 14 N 0.62 1.21 0.00 1.13 1.35 -1.36 -3.31 112.91 112.56 2ch0 h THR 14 Ca 0.09 -2.52 0.00 0.00 -0.55 0.00 0.00 66.41 63.44 2ch0 h THR 14 Cb 0.67 2.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.56 2ch0 h THR 14 CO 0.05 0.65 0.00 -2.11 -0.25 0.00 0.00 175.52 173.86 2ch0 n ARG 15 N -3.37 0.88 -3.74 4.72 1.85 -0.86 -4.59 116.66 111.55 2ch0 n ARG 15 Ca 0.01 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.73 2ch0 n ARG 15 Cb 0.76 -1.18 -0.11 0.00 -1.05 0.00 0.00 32.46 30.88 2ch0 n ARG 15 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 2ch0 s GLN 16 N -0.23 0.33 0.32 2.89 2.00 -1.25 -5.09 119.66 118.64 2ch0 s GLN 16 Ca 0.00 0.52 0.12 0.00 -2.00 0.00 0.00 55.36 54.00 2ch0 s GLN 16 Cb 0.00 0.06 0.54 0.00 0.80 0.00 0.00 33.01 34.42 2ch0 s GLN 16 CO 0.00 -0.09 1.71 0.52 -0.50 0.00 0.00 175.29 176.93 2ch0 h MET 17 N 6.31 0.00 0.00 1.67 2.86 -1.85 -3.46 114.93 120.47 2ch0 h MET 17 Ca -0.32 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 2ch0 h MET 17 Cb 1.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.84 2ch0 h MET 17 CO 0.32 0.49 0.48 0.10 1.06 0.00 0.00 176.91 179.37 2ch0 h TYR 18 N 0.00 0.00 -0.26 -0.22 -0.00 -1.97 -3.38 116.97 111.14 2ch0 h TYR 18 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 2ch0 h TYR 18 Cb 0.89 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.62 2ch0 h TYR 18 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 178.16 174.69 2ch0 n ASP 19 N -2.15 0.00 0.24 0.10 2.03 -1.26 -4.81 116.55 110.71 2ch0 n ASP 19 Ca -0.01 0.00 0.18 0.00 0.52 0.00 0.00 54.79 55.48 2ch0 n ASP 19 Cb 0.50 0.00 0.86 0.00 -0.72 0.00 0.00 41.12 41.76 2ch0 n ASP 19 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 2ch0 h MET 20 N 0.00 0.00 -0.53 -0.67 4.05 -1.93 -2.82 114.93 113.02 2ch0 h MET 20 Ca 0.00 0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.48 2ch0 h MET 20 Cb 0.00 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.77 2ch0 h MET 20 CO 0.00 0.00 0.36 -0.39 0.23 0.00 0.00 176.91 177.11 2ch0 h VAL 21 N 0.00 0.97 -0.50 -5.77 -1.51 -1.86 -3.28 116.25 104.30 2ch0 h VAL 21 Ca 0.07 -0.16 -0.01 0.00 -1.23 0.00 0.00 66.70 65.37 2ch0 h VAL 21 Cb 0.61 0.47 -0.02 0.00 -2.13 0.00 0.00 31.29 30.21 2ch0 h VAL 21 CO -0.00 0.08 0.26 0.58 -1.23 0.00 0.00 177.57 177.26 2ch0 h VAL 22 N 0.46 1.16 -0.13 7.19 2.07 -1.68 -0.36 116.25 124.97 2ch0 h VAL 22 Ca 0.23 -0.43 -0.23 0.00 0.82 0.00 0.00 66.70 67.09 2ch0 h VAL 22 Cb 0.32 0.50 0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2ch0 h VAL 22 CO -0.06 0.18 -0.83 0.11 0.02 0.00 0.00 177.57 176.99 2ch0 h LYS 23 N 0.69 0.78 0.00 1.57 6.56 -1.82 -3.35 116.57 121.01 2ch0 h LYS 23 Ca 0.18 -0.67 -0.22 0.00 -1.06 0.00 0.00 60.65 58.88 2ch0 h LYS 23 Cb 0.04 0.15 -0.00 0.00 -0.57 0.00 0.00 32.23 31.85 2ch0 h LYS 23 CO -0.03 1.27 -0.93 0.82 -2.06 0.00 0.00 179.45 178.52 2ch0 h ILE 24 N 0.51 1.43 -0.62 1.86 2.04 -1.59 -3.31 117.51 117.83 2ch0 h ILE 24 Ca -0.07 -2.50 0.18 0.00 1.00 0.00 0.00 64.86 63.47 2ch0 h ILE 24 Cb 1.46 2.44 -0.02 0.00 -0.74 0.00 0.00 36.82 39.96 2ch0 h ILE 24 CO 0.17 0.74 0.47 0.16 0.00 0.00 0.00 178.15 179.69 2ch0 h ILE 25 N 0.20 0.63 0.00 -0.67 3.07 -1.19 -0.62 117.51 118.94 2ch0 h ILE 25 Ca -0.07 0.00 -0.02 0.00 1.55 0.00 0.00 64.86 66.32 2ch0 h ILE 25 Cb 1.57 0.67 -0.00 0.00 -0.27 0.00 0.00 36.82 38.79 2ch0 h ILE 25 CO 0.16 0.00 -0.10 0.44 -1.05 0.00 0.00 178.15 177.60 2ch0 h ASP 26 N 0.00 0.00 0.25 2.16 3.32 -1.73 -2.20 116.42 118.22 2ch0 h ASP 26 Ca 0.30 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 2ch0 h ASP 26 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 2ch0 h ASP 26 CO -0.00 0.10 -0.12 0.58 -1.72 0.00 0.00 179.24 178.08 2ch0 h VAL 27 N 0.00 0.65 0.08 -1.35 2.07 -1.30 -3.23 116.25 113.17 2ch0 h VAL 27 Ca -0.00 -0.88 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 2ch0 h VAL 27 Cb 0.26 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2ch0 h VAL 27 CO 0.01 0.15 -0.04 -0.07 0.02 0.00 0.00 177.57 177.65 2ch0 h LEU 28 N -0.89 -0.09 -1.92 2.57 4.07 -1.63 -3.32 115.31 114.09 2ch0 h LEU 28 Ca -0.03 -0.37 0.17 0.00 0.08 0.00 0.00 57.88 57.73 2ch0 h LEU 28 Cb 0.51 0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.25 2ch0 h LEU 28 CO 0.06 0.34 0.55 -0.09 -1.08 0.00 0.00 178.44 178.22 2ch0 h ARG 29 N -0.54 0.00 0.08 1.13 2.43 -1.57 -2.30 114.38 113.60 2ch0 h ARG 29 Ca -0.01 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2ch0 h ARG 29 Cb 0.46 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2ch0 h ARG 29 CO 0.02 0.00 -0.04 1.03 -1.51 0.00 0.00 179.97 179.47 2ch0 h SER 30 N 0.00 -0.09 -0.46 -3.80 0.87 -1.65 -3.09 113.55 105.33 2ch0 h SER 30 Ca 0.28 -0.51 0.03 0.00 -1.23 0.00 0.00 61.79 60.36 2ch0 h SER 30 Cb 1.38 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 63.33 2ch0 h SER 30 CO -0.00 0.52 0.25 0.45 -0.53 0.00 0.00 176.83 177.52 2ch0 h HIS 31 N -0.76 0.47 -0.28 2.24 3.86 -1.65 -3.20 115.15 115.84 2ch0 h HIS 31 Ca -0.01 0.02 0.08 0.00 -1.16 0.00 0.00 60.37 59.29 2ch0 h HIS 31 Cb 0.59 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.90 2ch0 h HIS 31 CO 0.12 0.26 0.20 -0.91 0.86 0.00 0.00 177.93 178.46 2ch0 h ASN 32 N 0.51 0.02 -0.08 2.45 2.35 -1.49 0.18 115.58 119.52 2ch0 h ASN 32 Ca 0.19 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.83 2ch0 h ASN 32 Cb 0.05 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 2ch0 h ASN 32 CO -0.11 0.01 -0.37 -0.33 -1.65 0.00 0.00 177.43 174.98 2ch0 h GLU 33 N 0.02 0.40 0.00 0.81 5.08 -1.53 -3.35 114.58 116.02 2ch0 h GLU 33 Ca 0.13 -0.32 -0.08 0.00 -1.00 0.00 0.00 59.36 58.10 2ch0 h GLU 33 Cb 0.50 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2ch0 h GLU 33 CO -0.00 0.95 -0.37 0.00 -1.00 0.00 0.00 179.01 178.59 2ch0 h ALA 34 N 0.44 1.00 -0.63 3.43 0.00 -1.63 -3.34 119.26 118.53 2ch0 h ALA 34 Ca -0.02 -0.34 0.10 0.00 0.00 0.00 0.00 54.91 54.65 2ch0 h ALA 34 Cb 1.02 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 2ch0 h ALA 34 CO 0.08 0.46 0.42 0.00 0.00 0.00 0.00 179.25 180.21 2ch0 n GLN 36 N -4.47 0.06 -0.01 0.00 -0.00 -1.26 -2.41 117.38 109.29 2ch0 n GLN 36 Ca 0.10 0.48 0.06 0.00 -0.00 0.00 0.00 57.00 57.65 2ch0 n GLN 36 Cb 0.38 -1.66 -0.12 0.00 -0.00 0.00 0.00 30.24 28.84 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 -1.78 0.55 -3.72 2.61 2.13 -1.00 -4.85 120.64 114.57 2ch0 n GLU 37 Ca 0.01 -0.13 -0.24 0.00 0.66 0.00 0.00 57.16 57.46 2ch0 n GLU 37 Cb 0.07 -1.35 -0.02 0.00 0.27 0.00 0.00 31.44 30.40 2ch0 n GLU 37 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2ch0 n ASN 38 N -2.06 2.72 0.00 4.31 0.23 -1.01 -5.11 115.26 114.34 2ch0 n ASN 38 Ca -0.04 -2.67 0.00 0.00 -0.53 0.00 0.00 54.58 51.34 2ch0 n ASN 38 Cb 0.43 0.09 0.00 0.00 -2.08 0.00 0.00 39.78 38.22 2ch0 n ASN 38 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 2ch0 n LYS 39 N -1.38 0.00 -3.21 -3.83 -0.00 -1.26 -4.93 118.16 103.55 2ch0 n LYS 39 Ca -0.08 0.39 -0.12 0.00 -0.00 0.00 0.00 58.31 58.51 2ch0 n LYS 39 Cb 0.52 -0.92 -0.05 0.00 -0.00 0.00 0.00 35.03 34.58 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 -2.53 0.08 0.34 -5.58 1.47 -1.26 -4.83 116.67 104.36 2ch0 s ASP 40 Ca 0.00 -1.65 0.14 0.00 1.18 0.00 0.00 52.55 52.22 2ch0 s ASP 40 Cb 0.00 1.01 1.09 0.00 -0.34 0.00 0.00 42.92 44.68 2ch0 s ASP 40 CO 0.00 -0.18 1.62 0.25 0.68 0.00 0.00 175.17 177.54 2ch0 h LEU 41 N 6.43 0.28 -3.99 2.11 6.46 -1.91 -2.22 115.31 122.47 2ch0 h LEU 41 Ca 0.08 0.22 -0.63 0.00 -0.12 0.00 0.00 57.88 57.44 2ch0 h LEU 41 Cb 1.07 0.23 -0.30 0.00 -0.73 0.00 0.00 40.66 40.94 2ch0 h LEU 41 CO 0.16 -0.26 0.79 1.67 -0.62 0.00 0.00 178.44 180.18 2ch0 n GLN 42 N -5.19 2.56 -0.44 1.25 7.27 -1.26 -5.01 117.38 116.55 2ch0 n GLN 42 Ca 0.32 -3.21 0.39 0.00 0.07 0.00 0.00 57.00 54.56 2ch0 n GLN 42 Cb 1.02 -2.25 0.72 0.00 2.41 0.00 0.00 30.24 32.14 2ch0 n GLN 42 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 2ch0 h PRO 43 N 1.69 0.06 -1.86 3.69 0.13 -1.80 -3.39 132.00 130.53 2ch0 h PRO 43 Ca 0.61 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.73 2ch0 h PRO 43 Cb 1.44 -0.01 -0.21 0.00 0.13 0.00 0.00 31.00 32.35 2ch0 h PRO 43 CO 1.44 0.04 0.28 0.71 -0.23 0.00 0.00 178.00 180.24 2ch0 s TYR 44 N -5.05 -0.61 0.02 1.56 2.02 -1.26 -4.57 117.35 109.45 2ch0 s TYR 44 Ca -0.06 1.22 0.01 0.00 -0.37 0.00 0.00 57.07 57.88 2ch0 s TYR 44 Cb 0.25 0.38 -0.01 0.00 -0.40 0.00 0.00 41.96 42.18 2ch0 s TYR 44 CO 0.83 -0.45 -0.05 0.00 -1.57 0.00 0.00 175.55 174.31 2ch0 s MET 45 N -0.61 0.38 1.00 -0.62 0.23 -0.31 -5.02 119.30 114.35 2ch0 s MET 45 Ca -0.05 -0.45 -0.12 0.00 -1.03 0.00 0.00 55.69 54.04 2ch0 s MET 45 Cb -0.02 -0.21 0.19 0.00 -1.53 0.00 0.00 34.83 33.26 2ch0 s MET 45 CO 0.04 0.04 1.09 -1.25 -2.03 0.00 0.00 175.02 172.91 2ch0 s PRO 46 N -0.89 0.45 0.09 3.16 0.04 -1.26 -1.26 135.00 135.32 2ch0 s PRO 46 Ca -0.06 0.54 -0.26 0.00 0.04 0.00 0.00 61.00 61.26 2ch0 s PRO 46 Cb -0.06 -1.74 -0.16 0.00 0.04 0.00 0.00 34.50 32.58 2ch0 s PRO 46 CO -0.00 -2.73 1.71 0.82 0.04 0.00 0.00 177.00 176.84 2ch0 h ILE 47 N -1.89 0.83 0.00 0.56 2.04 -1.95 -1.64 117.51 115.46 2ch0 h ILE 47 Ca -0.54 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.32 2ch0 h ILE 47 Cb 1.33 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 2ch0 h ILE 47 CO 0.57 0.00 0.38 1.55 0.00 0.00 0.00 178.15 180.65 2ch0 h PRO 48 N -0.23 0.00 -0.49 2.37 0.14 -1.96 -3.33 132.00 128.49 2ch0 h PRO 48 Ca -0.02 0.00 0.08 0.00 0.14 0.00 0.00 66.00 66.19 2ch0 h PRO 48 Cb 0.18 0.00 -0.06 0.00 0.14 0.00 0.00 31.00 31.26 2ch0 h PRO 48 CO 0.04 0.00 0.14 1.25 0.14 0.00 0.00 178.00 179.56 2ch0 h HIS 49 N 0.00 0.23 -0.17 1.56 -0.00 -1.65 0.13 115.15 115.25 2ch0 h HIS 49 Ca 0.00 0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.33 2ch0 h HIS 49 Cb 0.76 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 28.12 2ch0 h HIS 49 CO 0.00 0.04 -0.21 -0.39 -0.00 0.00 0.00 177.93 177.37 2ch0 h VAL 50 N 0.29 1.23 -0.42 5.26 -1.51 -1.75 -1.60 116.25 117.75 2ch0 h VAL 50 Ca 0.24 -1.06 -0.05 0.00 -1.23 0.00 0.00 66.70 64.60 2ch0 h VAL 50 Cb 0.29 1.33 -0.02 0.00 -2.13 0.00 0.00 31.29 30.77 2ch0 h VAL 50 CO -0.28 0.33 0.03 0.08 -1.23 0.00 0.00 177.57 176.50 2ch0 h ARG 51 N 0.28 0.66 0.00 5.19 -0.00 -1.52 -3.28 114.38 115.71 2ch0 h ARG 51 Ca 0.05 -0.15 0.00 0.00 -0.00 0.00 0.00 59.98 59.88 2ch0 h ARG 51 Cb 0.53 -0.09 0.00 0.00 -0.00 0.00 0.00 29.97 30.41 2ch0 h ARG 51 CO 0.04 0.65 0.18 -3.47 -0.00 0.00 0.00 179.97 177.37 2ch0 n ASP 52 N -4.26 0.33 -0.01 0.08 2.03 0.40 -0.07 116.55 115.04 2ch0 n ASP 52 Ca 0.02 0.57 -0.05 0.00 0.52 0.00 0.00 54.79 55.85 2ch0 n ASP 52 Cb 0.25 -0.56 -0.12 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 -1.96 0.80 0.10 1.67 2.88 -1.23 -4.49 113.62 111.38 2ch0 n SER 53 Ca -0.01 0.37 -0.02 0.00 -1.33 0.00 0.00 58.87 57.88 2ch0 n SER 53 Cb 0.20 0.12 0.22 0.00 -0.75 0.00 0.00 64.21 63.99 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 0.24 -7.15 2.46 -0.00 -0.60 -3.42 115.31 106.83 2ch0 h LEU 54 Ca -0.26 -0.10 -0.08 0.00 -0.00 0.00 0.00 57.88 57.44 2ch0 h LEU 54 Cb 1.87 -0.07 -0.22 0.00 -0.00 0.00 0.00 40.66 42.23 2ch0 h LEU 54 CO 0.06 0.64 -0.05 -0.63 -0.00 0.00 0.00 178.44 178.47 2ch0 s ILE 55 N -4.10 0.00 -0.11 0.15 1.09 -1.26 -4.97 121.20 112.00 2ch0 s ILE 55 Ca -0.04 -0.00 -0.02 0.00 -1.10 0.00 0.00 60.65 59.49 2ch0 s ILE 55 Cb 0.13 -0.80 -0.25 0.00 -1.06 0.00 0.00 42.46 40.49 2ch0 s ILE 55 CO 0.77 -0.00 0.38 0.00 -0.10 0.00 0.00 174.94 175.99 2ch0 n GLN 56 N 2.75 0.73 0.00 2.79 6.02 -1.26 -4.38 117.38 124.02 2ch0 n GLN 56 Ca -0.14 0.26 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 2ch0 n GLN 56 Cb 0.56 -1.71 0.00 0.00 1.02 0.00 0.00 30.24 30.11 2ch0 n GLN 56 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 2ch0 n PRO 57 N -3.36 0.91 0.14 -1.09 -0.04 -1.26 -4.76 135.00 125.54 2ch0 n PRO 57 Ca -0.30 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.18 2ch0 n PRO 57 Cb 1.05 0.00 0.14 0.00 -0.04 0.00 0.00 33.50 34.65 2ch0 n PRO 57 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ch0 h HIS 58 N 0.00 0.00 -0.10 0.54 3.86 -2.05 -3.14 115.15 114.26 2ch0 h HIS 58 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2ch0 h HIS 58 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2ch0 h HIS 58 CO 0.00 0.56 0.00 -0.25 0.86 0.00 0.00 177.93 179.10 2ch0 n ASP 59 N -3.45 0.71 -0.18 2.45 8.00 -1.26 -4.57 116.55 118.25 2ch0 n ASP 59 Ca 0.00 -1.73 -0.05 0.00 0.71 0.00 0.00 54.79 53.72 2ch0 n ASP 59 Cb 0.67 -0.06 0.01 0.00 -0.02 0.00 0.00 41.12 41.71 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 0.87 -0.16 0.00 -1.24 -0.00 -1.75 -1.54 114.38 110.56 2ch0 h ARG 60 Ca 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 59.98 59.99 2ch0 h ARG 60 Cb 0.19 0.04 -0.00 0.00 -0.00 0.00 0.00 29.97 30.20 2ch0 h ARG 60 CO 0.00 -0.11 -0.02 -0.22 -0.00 0.00 0.00 179.97 179.62 2ch0 h LYS 61 N -0.17 0.00 0.00 0.08 3.11 -1.84 -3.35 116.57 114.40 2ch0 h LYS 61 Ca 0.22 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.06 2ch0 h LYS 61 Cb 0.54 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.77 2ch0 h LYS 61 CO -0.63 0.02 0.33 1.57 -2.81 0.00 0.00 179.45 177.92 2ch0 h LYS 62 N 0.00 0.00 -0.11 1.90 2.10 -1.61 0.26 116.57 119.11 2ch0 h LYS 62 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2ch0 h LYS 62 Cb 0.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 2ch0 h LYS 62 CO 0.00 0.00 0.00 -1.33 -2.00 0.00 0.00 179.45 176.12 2ch0 n MET 63 N -2.68 1.64 0.10 0.07 2.81 -1.26 -4.61 117.12 113.20 2ch0 n MET 63 Ca -0.02 -1.40 -0.04 0.00 -1.81 0.00 0.00 57.70 54.44 2ch0 n MET 63 Cb 0.37 -1.13 0.16 0.00 -0.71 0.00 0.00 33.22 31.91 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 1.10 0.19 -0.74 0.03 3.64 -0.66 -1.09 116.57 119.04 2ch0 h LYS 64 Ca 0.00 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 2ch0 h LYS 64 Cb 0.47 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 2ch0 h LYS 64 CO 0.00 0.70 0.36 0.87 -2.27 0.00 0.00 179.45 179.11 2ch0 h LYS 65 N 0.15 1.07 0.00 1.90 1.57 -1.80 -2.20 116.57 117.26 2ch0 h LYS 65 Ca -0.00 -0.16 -0.19 0.00 -1.87 0.00 0.00 60.65 58.43 2ch0 h LYS 65 Cb 1.04 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 2ch0 h LYS 65 CO 0.08 0.84 -0.87 -0.24 -0.57 0.00 0.00 179.45 178.70 2ch0 h VAL 66 N 1.05 1.52 -0.93 0.50 3.04 -1.85 -3.31 116.25 116.27 2ch0 h VAL 66 Ca 0.26 -2.68 0.12 0.00 -1.01 0.00 0.00 66.70 63.38 2ch0 h VAL 66 Cb 0.12 2.49 -0.07 0.00 -2.01 0.00 0.00 31.29 31.82 2ch0 h VAL 66 CO -0.03 0.78 0.59 -0.25 -1.01 0.00 0.00 177.57 177.65 2ch0 h TRP 67 N 0.08 0.98 -0.90 3.17 2.91 -0.86 0.28 115.95 121.61 2ch0 h TRP 67 Ca -0.04 0.03 0.04 0.00 1.13 0.00 0.00 58.89 60.05 2ch0 h TRP 67 Cb 1.50 -0.31 -0.05 0.00 -0.51 0.00 0.00 29.16 29.79 2ch0 h TRP 67 CO 0.02 0.40 0.59 -0.44 -1.03 0.00 0.00 178.44 177.98 2ch0 h ASP 68 N 0.86 0.96 0.01 2.65 3.32 -1.49 0.26 116.42 122.99 2ch0 h ASP 68 Ca 0.45 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.45 2ch0 h ASP 68 Cb 0.54 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2ch0 h ASP 68 CO -0.22 0.66 -0.17 -0.09 -1.72 0.00 0.00 179.24 177.70 2ch0 h ARG 69 N 1.11 0.09 -0.31 3.56 9.65 -1.57 -3.40 114.38 123.51 2ch0 h ARG 69 Ca 0.36 -0.12 -0.00 0.00 -1.10 0.00 0.00 59.98 59.12 2ch0 h ARG 69 Cb 0.04 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.64 2ch0 h ARG 69 CO -0.11 0.94 0.18 0.00 2.80 0.00 0.00 179.97 183.78 2ch0 h ALA 70 N 0.15 1.74 -0.32 2.80 0.00 -0.24 -2.81 119.26 120.58 2ch0 h ALA 70 Ca -0.03 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.89 2ch0 h ALA 70 Cb 1.02 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2ch0 h ALA 70 CO 0.03 0.23 0.21 -0.24 0.00 0.00 0.00 179.25 179.49 2ch0 h VAL 71 N 0.42 0.97 -0.50 0.00 3.04 -0.69 -1.84 116.25 117.64 2ch0 h VAL 71 Ca 0.11 -0.08 -0.04 0.00 -1.01 0.00 0.00 66.70 65.68 2ch0 h VAL 71 Cb -0.01 0.71 -0.02 0.00 -2.01 0.00 0.00 31.29 29.96 2ch0 h VAL 71 CO -0.02 0.04 0.15 -0.78 -1.01 0.00 0.00 177.57 175.95 2ch0 h ASP 72 N 0.24 0.75 -0.56 3.17 3.58 -1.70 -0.65 116.42 121.25 2ch0 h ASP 72 Ca 0.14 -0.22 -0.02 0.00 0.42 0.00 0.00 57.03 57.35 2ch0 h ASP 72 Cb 0.24 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.07 2ch0 h ASP 72 CO -0.03 0.76 0.27 -0.26 -2.88 0.00 0.00 179.24 177.11 2ch0 h PHE 73 N 0.69 0.80 0.14 0.28 -1.00 -1.53 -3.22 116.94 113.10 2ch0 h PHE 73 Ca 0.16 -0.04 -0.01 0.00 2.81 0.00 0.00 57.97 60.90 2ch0 h PHE 73 Cb 0.29 -0.25 0.00 0.00 3.61 0.00 0.00 35.95 39.61 2ch0 h PHE 73 CO 0.02 0.61 -0.07 1.25 -1.61 0.00 0.00 178.31 178.51 2ch0 h LEU 74 N 0.75 -0.16 -1.89 1.54 5.85 -1.22 -3.29 115.31 116.89 2ch0 h LEU 74 Ca 0.19 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2ch0 h LEU 74 Cb 0.11 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.19 2ch0 h LEU 74 CO -0.02 0.03 0.00 0.00 -0.34 0.00 0.00 178.44 178.10 2ch0 h ALA 75 N 0.48 1.00 -0.00 1.25 0.00 -1.19 -1.58 119.26 119.22 2ch0 h ALA 75 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2ch0 h ALA 75 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2ch0 h ALA 75 CO 0.03 0.00 -0.50 0.00 0.00 0.00 0.00 179.25 178.78 2ch0 n ALA 76 N -1.87 3.55 0.17 0.00 0.00 -1.22 -3.71 120.51 117.43 2ch0 n ALA 76 Ca -0.02 -0.35 0.04 0.00 0.00 0.00 0.00 53.44 53.10 2ch0 n ALA 76 Cb 0.05 -1.12 0.05 0.00 0.00 0.00 0.00 19.45 18.44 2ch0 n ALA 76 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2ch0 n ASN 77 N -1.47 1.91 -0.52 0.00 3.02 -0.64 -5.09 115.26 112.47 2ch0 n ASN 77 Ca 0.06 -1.52 0.04 0.00 -0.03 0.00 0.00 54.58 53.14 2ch0 n ASN 77 Cb 0.34 -0.05 -0.02 0.00 -0.61 0.00 0.00 39.78 39.44 2ch0 n ASN 77 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2ch0 n GLU 78 N 0.33 -1.26 -3.62 3.52 -0.58 -0.92 -5.09 120.64 113.02 2ch0 n GLU 78 Ca 0.05 1.02 -0.10 0.00 -0.42 0.00 0.00 57.16 57.71 2ch0 n GLU 78 Cb 0.24 -1.39 -0.07 0.00 -0.57 0.00 0.00 31.44 29.65 2ch0 n GLU 78 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2ch0 s SER 79 N -4.77 -0.48 0.00 1.62 0.01 -1.26 -4.83 113.70 104.00 2ch0 s SER 79 Ca 0.00 0.83 0.07 0.00 1.31 0.00 0.00 55.95 58.16 2ch0 s SER 79 Cb 0.00 0.82 0.29 0.00 0.21 0.00 0.00 66.02 67.33 2ch0 s SER 79 CO 0.00 -0.22 1.20 0.54 0.41 0.00 0.00 173.24 175.17 2ch0 n ARG 80 N 1.92 1.23 -3.69 12.44 3.00 -1.26 -4.65 116.66 125.66 2ch0 n ARG 80 Ca -0.12 -0.36 -0.38 0.00 -0.01 0.00 0.00 57.85 56.97 2ch0 n ARG 80 Cb 0.56 -1.13 -0.12 0.00 0.00 0.00 0.00 32.46 31.77 2ch0 n ARG 80 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2ch0 s VAL 81 N -1.88 4.48 0.05 1.55 1.01 -1.26 -2.56 120.40 121.79 2ch0 s VAL 81 Ca 0.12 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.75 2ch0 s VAL 81 Cb 0.06 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 2ch0 s VAL 81 CO 0.09 0.14 0.02 -0.60 0.00 0.00 0.00 175.10 174.75 2ch0 s ARG 82 N 1.60 2.73 -0.20 2.72 3.52 -0.70 -4.86 118.95 123.77 2ch0 s ARG 82 Ca 0.05 -0.71 -0.20 0.00 -0.13 0.00 0.00 55.73 54.74 2ch0 s ARG 82 Cb -0.17 -2.64 -0.03 0.00 -1.56 0.00 0.00 34.95 30.55 2ch0 s ARG 82 CO 0.05 0.58 0.59 0.99 -0.81 0.00 0.00 175.30 176.70 2ch0 s THR 83 N -1.24 5.05 0.04 4.11 2.01 -1.26 -2.28 115.64 122.06 2ch0 s THR 83 Ca 0.24 1.09 0.02 0.00 0.31 0.00 0.00 61.69 63.36 2ch0 s THR 83 Cb -0.12 -3.91 -0.02 0.00 0.01 0.00 0.00 72.50 68.47 2ch0 s THR 83 CO 0.16 0.13 -0.08 -0.70 -0.69 0.00 0.00 174.62 173.44 2ch0 s GLU 84 N 1.85 0.52 -0.45 4.92 2.12 -0.61 -4.93 118.70 122.12 2ch0 s GLU 84 Ca 0.27 -0.69 -0.28 0.00 0.36 0.00 0.00 54.97 54.63 2ch0 s GLU 84 Cb -0.16 -0.32 0.03 0.00 0.26 0.00 0.00 34.13 33.94 2ch0 s GLU 84 CO 0.10 0.06 1.05 0.95 -0.54 0.00 0.00 175.26 176.88 2ch0 s THR 85 N -1.23 4.33 0.06 -1.70 -4.23 -1.26 -1.19 115.64 110.43 2ch0 s THR 85 Ca -0.08 1.11 0.03 0.00 -1.18 0.00 0.00 61.69 61.56 2ch0 s THR 85 Cb -0.09 -4.52 -0.03 0.00 1.34 0.00 0.00 72.50 69.20 2ch0 s THR 85 CO 0.00 -0.89 -0.09 -0.13 -0.54 0.00 0.00 174.62 172.98 2ch0 s ARG 86 N 4.12 0.66 -0.39 3.99 1.81 -0.61 -4.92 118.95 123.61 2ch0 s ARG 86 Ca 0.44 -0.93 -0.23 0.00 -1.72 0.00 0.00 55.73 53.28 2ch0 s ARG 86 Cb -0.09 -0.38 0.01 0.00 -0.45 0.00 0.00 34.95 34.05 2ch0 s ARG 86 CO 0.28 0.06 0.79 0.50 -0.68 0.00 0.00 175.30 176.25 2ch0 s ARG 87 N -2.13 3.66 -0.30 3.54 3.52 -1.26 -0.92 118.95 125.07 2ch0 s ARG 87 Ca -0.03 0.21 0.03 0.00 -0.13 0.00 0.00 55.73 55.80 2ch0 s ARG 87 Cb -0.07 -3.85 0.08 0.00 -1.56 0.00 0.00 34.95 29.56 2ch0 s ARG 87 CO -0.00 -0.93 -0.01 0.42 -0.81 0.00 0.00 175.30 173.96 2ch0 s ILE 88 N 3.18 2.03 -1.11 4.11 -1.09 0.12 -4.71 121.20 123.74 2ch0 s ILE 88 Ca 0.31 -1.90 0.00 0.00 -2.23 0.00 0.00 60.65 56.84 2ch0 s ILE 88 Cb -0.13 -2.36 0.00 0.00 -1.58 0.00 0.00 42.46 38.39 2ch0 s ILE 88 CO 0.19 -0.36 0.00 0.61 -1.23 0.00 0.00 174.94 174.15 2ch0 n GLY 89 N 4.41 0.53 0.83 6.18 0.00 -1.26 -2.72 105.19 113.17 2ch0 n GLY 89 Ca -0.04 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 0.76 3.12 -0.02 0.00 -1.26 -5.09 105.19 101.44 2ch0 n GLY 90 Ca -0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.29 1.31 -0.51 4.61 0.00 -1.10 -5.08 121.76 118.70 2ch0 s ALA 91 Ca 0.00 -0.65 -0.28 0.00 0.00 0.00 0.00 51.96 51.04 2ch0 s ALA 91 Cb 0.00 -0.37 0.03 0.00 0.00 0.00 0.00 23.12 22.78 2ch0 s ALA 91 CO 0.00 0.29 1.09 0.34 0.00 0.00 0.00 175.76 177.49 2ch0 s ASP 92 N -0.23 6.53 0.34 0.00 2.15 -1.26 0.15 116.67 124.36 2ch0 s ASP 92 Ca 0.03 0.22 0.09 0.00 0.43 0.00 0.00 52.55 53.32 2ch0 s ASP 92 Cb -0.07 -2.52 -0.06 0.00 -0.30 0.00 0.00 42.92 39.96 2ch0 s ASP 92 CO 0.00 -1.28 -0.06 -0.36 -0.17 0.00 0.00 175.17 173.30 2ch0 s PHE 93 N 4.41 2.45 -0.44 -5.34 0.08 -0.10 -4.87 117.98 114.18 2ch0 s PHE 93 Ca 0.43 -0.48 -0.18 0.00 0.12 0.00 0.00 56.93 56.82 2ch0 s PHE 93 Cb -0.08 -1.42 0.03 0.00 -0.57 0.00 0.00 43.02 40.98 2ch0 s PHE 93 CO 0.28 0.55 0.48 -0.51 -0.10 0.00 0.00 175.22 175.92 2ch0 s LEU 94 N -3.64 4.87 0.12 -0.37 1.02 -1.26 -1.57 118.68 117.84 2ch0 s LEU 94 Ca 0.33 -0.70 0.09 0.00 0.02 0.00 0.00 54.13 53.88 2ch0 s LEU 94 Cb 0.02 -2.43 -0.04 0.00 0.02 0.00 0.00 46.19 43.76 2ch0 s LEU 94 CO 0.17 -0.65 -0.17 0.54 0.02 0.00 0.00 176.35 176.26 2ch0 s VAL 95 N 2.25 2.87 -0.17 -1.59 0.11 -0.34 -4.36 120.40 119.18 2ch0 s VAL 95 Ca 0.13 -1.51 -0.07 0.00 -2.93 0.00 0.00 61.98 57.60 2ch0 s VAL 95 Cb -0.17 -2.32 -0.04 0.00 -1.53 0.00 0.00 36.38 32.31 2ch0 s VAL 95 CO 0.14 0.09 0.08 0.26 -3.33 0.00 0.00 175.10 172.34 2ch0 s TRP 96 N -1.18 3.33 0.06 1.54 0.51 -0.39 -1.57 118.94 121.25 2ch0 s TRP 96 Ca 0.18 0.22 -0.13 0.00 -2.12 0.00 0.00 56.10 54.25 2ch0 s TRP 96 Cb -0.10 -2.04 0.02 0.00 -0.81 0.00 0.00 33.47 30.53 2ch0 s TRP 96 CO 0.10 0.31 0.30 -0.98 -0.51 0.00 0.00 176.95 176.18 2ch0 s ARG 97 N 0.01 0.85 0.06 4.98 3.03 -0.97 -1.16 118.95 125.76 2ch0 s ARG 97 Ca 0.07 -0.61 0.08 0.00 2.03 0.00 0.00 55.73 57.30 2ch0 s ARG 97 Cb -0.12 0.37 -0.03 0.00 -1.03 0.00 0.00 34.95 34.14 2ch0 s ARG 97 CO 0.00 -0.28 -0.23 -0.46 -1.13 0.00 0.00 175.30 173.20 2ch0 s TRP 98 N -2.96 1.97 -0.11 5.89 -0.00 -1.26 -1.72 118.94 120.75 2ch0 s TRP 98 Ca -0.02 -0.39 -0.04 0.00 -0.00 0.00 0.00 56.10 55.65 2ch0 s TRP 98 Cb 0.01 -1.15 -0.04 0.00 -0.00 0.00 0.00 33.47 32.29 2ch0 s TRP 98 CO -0.06 0.14 0.04 0.96 -0.00 0.00 0.00 176.95 178.03 2ch0 s ILE 99 N -0.89 4.60 0.04 5.86 -0.00 -1.06 -4.90 121.20 124.85 2ch0 s ILE 99 Ca 0.09 -0.13 -0.01 0.00 -0.00 0.00 0.00 60.65 60.60 2ch0 s ILE 99 Cb -0.09 -2.98 -0.03 0.00 -0.00 0.00 0.00 42.46 39.36 2ch0 s ILE 99 CO 0.03 0.58 -0.03 0.00 -0.00 0.00 0.00 174.94 175.52 2ch0 s GLN 100 N -0.63 0.48 0.82 0.37 1.03 -1.26 -4.84 119.66 115.63 2ch0 s GLN 100 Ca 0.11 -0.93 -0.10 0.00 0.04 0.00 0.00 55.36 54.47 2ch0 s GLN 100 Cb -0.12 0.17 0.09 0.00 0.03 0.00 0.00 33.01 33.18 2ch0 s GLN 100 CO 0.02 -0.08 1.11 -2.14 -2.54 0.00 0.00 175.29 171.66 2ch0 s PRO 101 N -2.79 1.80 0.00 9.60 0.02 -1.26 -4.41 135.00 137.97 2ch0 s PRO 101 Ca -0.04 1.30 0.00 0.00 0.02 0.00 0.00 61.00 62.29 2ch0 s PRO 101 Cb -0.00 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.68 2ch0 s PRO 101 CO -0.06 -2.00 0.00 0.45 -0.33 0.00 0.00 177.00 175.06 2ch0 n SER 102 N -3.78 0.00 -4.49 2.53 2.88 -1.26 -4.66 113.62 104.84 2ch0 n SER 102 Ca 0.10 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.52 2ch0 n SER 102 Cb 0.53 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.89 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 -0.99 0.32 -0.33 -1.46 0.00 -1.26 -0.09 120.51 116.70 2ch0 n ALA 103 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 53.44 51.66 2ch0 n ALA 103 Cb 0.00 -2.86 0.00 0.00 0.00 0.00 0.00 19.45 16.59 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 16.70 -0.99 0.00 0.00 2.88 -1.26 -4.55 113.62 126.40 2ch0 n SER 104 Ca 0.38 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 2ch0 n SER 104 Cb 0.45 -0.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 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 2.97 -2.72 -0.06 0.00 5.68 -1.26 -4.69 116.55 116.46 2ch0 n ASP 106 Ca 0.00 0.05 -0.22 0.00 -0.50 0.00 0.00 54.79 54.12 2ch0 n ASP 106 Cb 0.00 -1.47 -0.13 0.00 -1.14 0.00 0.00 41.12 38.38 2ch0 n ASP 106 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 2ch0 n LYS 107 N -2.05 0.68 -3.95 0.11 4.81 -1.26 -5.06 118.16 111.43 2ch0 n LYS 107 Ca -0.05 0.30 -0.09 0.00 -0.87 0.00 0.00 58.31 57.60 2ch0 n LYS 107 Cb 0.37 -1.66 -0.03 0.00 0.02 0.00 0.00 35.03 33.74 2ch0 n LYS 107 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 2ch0 s ILE 108 N -2.51 0.00 -0.06 3.15 2.07 -1.26 -5.16 121.20 117.43 2ch0 s ILE 108 Ca -0.28 -1.28 0.05 0.00 -1.41 0.00 0.00 60.65 57.73 2ch0 s ILE 108 Cb 0.08 -2.31 -0.01 0.00 0.13 0.00 0.00 42.46 40.35 2ch0 s ILE 108 CO 0.67 0.00 -0.24 -0.22 -1.91 0.00 0.00 174.94 173.24 2ch0 s LEU 109 N -3.03 2.05 -0.50 8.50 2.96 -1.26 -5.03 118.68 122.37 2ch0 s LEU 109 Ca 0.20 -0.50 0.03 0.00 -0.22 0.00 0.00 54.13 53.63 2ch0 s LEU 109 Cb -0.02 -1.32 0.62 0.00 0.50 0.00 0.00 46.19 45.96 2ch0 s LEU 109 CO 0.10 0.21 1.95 0.52 -1.32 0.00 0.00 176.35 177.82 2ch0 n VAL 110 N 3.10 3.31 -3.84 1.68 0.31 -1.26 -4.86 118.33 116.77 2ch0 n VAL 110 Ca -0.18 -2.16 -0.35 0.00 -0.01 0.00 0.00 64.34 61.64 2ch0 n VAL 110 Cb 0.52 -0.64 -0.13 0.00 -0.91 0.00 0.00 33.84 32.69 2ch0 n VAL 110 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2ch0 s ILE 111 N -3.67 3.08 0.00 2.52 -1.09 -1.26 -5.06 121.20 115.72 2ch0 s ILE 111 Ca 0.59 -1.90 0.00 0.00 -2.23 0.00 0.00 60.65 57.11 2ch0 s ILE 111 Cb 0.49 -3.04 0.00 0.00 -1.58 0.00 0.00 42.46 38.33 2ch0 s ILE 111 CO 0.08 -0.51 0.00 -0.81 -1.23 0.00 0.00 174.94 172.47 2ch0 n PRO 112 N 4.56 0.00 0.07 2.79 -0.04 -1.26 -5.08 135.00 136.04 2ch0 n PRO 112 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 2ch0 n PRO 112 Cb 0.42 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 2ch0 n PRO 112 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2ch0 n SER 113 N 0.00 -0.87 0.00 3.54 3.41 -1.26 -5.07 113.62 113.36 2ch0 n SER 113 Ca 0.00 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 2ch0 n SER 113 Cb 0.00 1.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.99 2ch0 n SER 113 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2ch0 n LYS 114 N -2.83 3.48 -2.56 4.33 2.85 -1.26 -5.05 118.16 117.13 2ch0 n LYS 114 Ca 0.00 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.83 2ch0 n LYS 114 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2ch0 n LYS 114 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 2ch0 n VAL 115 N 0.00 4.07 -2.62 0.58 0.31 -1.26 -4.51 118.33 114.90 2ch0 n VAL 115 Ca 0.00 -4.25 -0.08 0.00 -0.01 0.00 0.00 64.34 60.01 2ch0 n VAL 115 Cb 0.00 -2.43 0.04 0.00 -0.91 0.00 0.00 33.84 30.54 2ch0 n VAL 115 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 2ch0 n TRP 116 N 6.19 -1.03 -3.56 3.52 8.01 -1.26 -5.06 117.44 124.25 2ch0 n TRP 116 Ca 0.43 0.43 -0.41 0.00 -1.31 0.00 0.00 57.50 56.64 2ch0 n TRP 116 Cb 0.42 -3.41 -0.08 0.00 -2.01 0.00 0.00 31.31 26.23 2ch0 n TRP 116 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.69 175.54 2ch0 s GLN 117 N -4.51 2.68 0.00 -0.99 0.74 -1.26 -4.70 119.66 111.61 2ch0 s GLN 117 Ca 0.03 -2.08 0.00 0.00 0.05 0.00 0.00 55.36 53.35 2ch0 s GLN 117 Cb -0.00 -3.95 0.00 0.00 1.10 0.00 0.00 33.01 30.15 2ch0 s GLN 117 CO 0.34 -1.20 0.00 0.41 -0.55 0.00 0.00 175.29 174.28 2ch0 n GLY 118 N 4.38 0.88 3.93 2.59 0.00 -1.26 -4.73 105.19 110.99 2ch0 n GLY 118 Ca -0.00 -0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 2ch0 n GLY 118 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2ch0 s GLN 119 N -0.49 2.39 0.36 1.61 -2.07 -1.26 -5.14 119.66 115.05 2ch0 s GLN 119 Ca 0.00 -1.72 0.03 0.00 -1.82 0.00 0.00 55.36 51.84 2ch0 s GLN 119 Cb 0.00 -2.36 0.03 0.00 -1.09 0.00 0.00 33.01 29.59 2ch0 s GLN 119 CO 0.00 -0.52 0.24 0.00 -1.32 0.00 0.00 175.29 173.69 2ch0 n ALA 120 N -1.82 0.52 -2.73 2.60 0.00 -1.26 -5.09 120.51 112.74 2ch0 n ALA 120 Ca 0.05 -1.45 -0.05 0.00 0.00 0.00 0.00 53.44 51.99 2ch0 n ALA 120 Cb 0.62 0.62 0.05 0.00 0.00 0.00 0.00 19.45 20.74 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 -1.28 0.87 -0.64 0.00 7.35 -1.26 -5.02 117.46 117.48 2ch0 n PHE 121 Ca -0.03 -2.46 -0.18 0.00 -0.76 0.00 0.00 57.45 54.02 2ch0 n PHE 121 Cb 0.41 -0.14 -0.03 0.00 0.35 0.00 0.00 39.48 40.07 2ch0 n PHE 121 CO 0.00 0.00 0.00 1.58 -0.76 0.00 0.00 176.76 177.58 2ch0 n HIS 122 N -0.34 1.05 0.00 -5.13 -0.00 -1.26 -1.81 115.22 107.73 2ch0 n HIS 122 Ca 0.07 -1.67 0.00 0.00 0.46 0.00 0.00 57.72 56.58 2ch0 n HIS 122 Cb 0.82 -1.48 0.00 0.00 -0.12 0.00 0.00 29.99 29.20 2ch0 n HIS 122 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 2ch0 n LEU 123 N 4.05 0.00 -0.18 0.27 7.94 -1.26 -5.08 117.00 122.74 2ch0 n LEU 123 Ca 0.38 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 55.25 2ch0 n LEU 123 Cb 0.17 0.12 -0.01 0.00 0.53 0.00 0.00 43.42 44.23 2ch0 n LEU 123 CO 0.61 -0.17 -0.02 0.47 -1.11 0.00 0.00 177.39 177.16 2ch0 n ASP 124 N -1.85 -3.96 -2.83 1.96 8.00 -0.75 -4.95 116.55 112.17 2ch0 n ASP 124 Ca 0.00 0.06 -0.21 0.00 0.71 0.00 0.00 54.79 55.34 2ch0 n ASP 124 Cb 0.00 -1.66 -0.06 0.00 -0.02 0.00 0.00 41.12 39.38 2ch0 n ASP 124 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2ch0 n ARG 125 N -2.02 2.27 -0.09 -1.24 0.63 -1.26 -4.29 116.66 110.65 2ch0 n ARG 125 Ca -0.02 -1.38 -0.11 0.00 -0.92 0.00 0.00 57.85 55.42 2ch0 n ARG 125 Cb 0.19 -2.33 -0.15 0.00 0.45 0.00 0.00 32.46 30.62 2ch0 n ARG 125 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2ch0 n ARG 126 N 3.48 0.68 -2.26 -0.14 0.63 -1.26 -5.03 116.66 112.76 2ch0 n ARG 126 Ca 0.48 0.05 0.00 0.00 -0.92 0.00 0.00 57.85 57.46 2ch0 n ARG 126 Cb 0.35 -1.56 0.00 0.00 0.45 0.00 0.00 32.46 31.70 2ch0 n ARG 126 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 2ch0 n LEU 127 N -2.84 -1.90 0.10 6.15 7.94 -1.26 -5.02 117.00 120.16 2ch0 n LEU 127 Ca -0.32 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.56 2ch0 n LEU 127 Cb 1.13 -0.48 -0.04 0.00 0.53 0.00 0.00 43.42 44.57 2ch0 n LEU 127 CO 0.42 0.00 0.31 -0.08 -1.11 0.00 0.00 177.39 176.93 2ch0 h GLU 128 N 0.00 0.00 -5.57 1.96 4.22 -1.96 -3.45 114.58 109.78 2ch0 h GLU 128 Ca 0.00 0.00 -0.65 0.00 0.08 0.00 0.00 59.36 58.79 2ch0 h GLU 128 Cb 0.95 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.10 2ch0 h GLU 128 CO 0.00 0.76 -0.51 1.03 -2.18 0.00 0.00 179.01 178.11 2ch0 s ARG 129 N -2.87 3.58 0.40 1.92 1.81 -1.26 -5.01 118.95 117.52 2ch0 s ARG 129 Ca 0.02 -0.21 0.28 0.00 -1.72 0.00 0.00 55.73 54.11 2ch0 s ARG 129 Cb 0.09 -3.19 1.10 0.00 -0.45 0.00 0.00 34.95 32.50 2ch0 s ARG 129 CO 0.78 0.62 1.83 -1.00 -0.68 0.00 0.00 175.30 176.86 2ch0 h PRO 130 N 5.52 0.00 -0.03 3.54 0.13 -2.03 -2.90 132.00 136.23 2ch0 h PRO 130 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2ch0 h PRO 130 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2ch0 h PRO 130 CO 0.62 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.11 2ch0 n HIS 131 N -2.68 0.03 0.13 1.56 8.25 -1.26 -3.13 115.22 118.13 2ch0 n HIS 131 Ca 0.02 -0.02 0.04 0.00 -0.26 0.00 0.00 57.72 57.50 2ch0 n HIS 131 Cb 0.30 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.48 2ch0 n HIS 131 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2ch0 n ARG 132 N -0.62 1.35 0.00 -0.41 1.74 -1.09 -5.23 116.66 112.40 2ch0 n ARG 132 Ca 0.16 -1.39 0.13 0.00 -0.77 0.00 0.00 57.85 55.99 2ch0 n ARG 132 Cb 0.13 -1.17 0.31 0.00 -1.02 0.00 0.00 32.46 30.70 2ch0 n ARG 132 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64