#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ch0 s SER 2 N 0.00 -0.20 0.96 1.61 0.01 -1.26 -5.20 113.70 109.62 2ch0 s SER 2 Ca 0.00 0.12 -0.09 0.00 1.31 0.00 0.00 55.95 57.29 2ch0 s SER 2 Cb 0.00 0.19 0.13 0.00 0.21 0.00 0.00 66.02 66.55 2ch0 s SER 2 CO 0.00 -0.26 0.79 -2.65 0.41 0.00 0.00 173.24 171.53 2ch0 n PRO 3 N 0.26 -0.70 -3.58 12.44 -0.02 -1.26 -5.13 135.00 137.02 2ch0 n PRO 3 Ca -0.04 -1.29 -0.11 0.00 -2.02 0.00 0.00 63.50 60.04 2ch0 n PRO 3 Cb 0.59 -0.79 -0.04 0.00 -0.02 0.00 0.00 33.50 33.24 2ch0 n PRO 3 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2ch0 s GLU 4 N -4.70 1.13 -0.45 -0.52 -1.05 -1.26 -5.07 118.70 106.78 2ch0 s GLU 4 Ca 0.45 -0.64 0.05 0.00 -0.15 0.00 0.00 54.97 54.68 2ch0 s GLU 4 Cb -0.01 0.50 0.42 0.00 -0.44 0.00 0.00 34.13 34.60 2ch0 s GLU 4 CO 0.32 -0.46 1.12 0.34 0.95 0.00 0.00 175.26 177.53 2ch0 n PHE 5 N -0.27 3.44 0.12 4.83 7.35 -1.26 -4.83 117.46 126.84 2ch0 n PHE 5 Ca -0.16 -3.14 -0.02 0.00 -0.76 0.00 0.00 57.45 53.37 2ch0 n PHE 5 Cb 0.64 -0.11 0.06 0.00 0.35 0.00 0.00 39.48 40.42 2ch0 n PHE 5 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 2ch0 h ARG 6 N 2.60 0.00 -6.46 -4.13 2.43 -2.06 -3.45 114.38 103.31 2ch0 h ARG 6 Ca 0.30 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.99 2ch0 h ARG 6 Cb 0.89 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.45 2ch0 h ARG 6 CO 0.86 0.70 -0.19 1.67 -1.51 0.00 0.00 179.97 181.50 2ch0 s TRP 7 N -3.15 1.93 -0.65 2.20 -2.14 -1.26 -5.07 118.94 110.80 2ch0 s TRP 7 Ca 0.01 -0.63 0.22 0.00 2.66 0.00 0.00 56.10 58.35 2ch0 s TRP 7 Cb 0.10 -2.22 -0.21 0.00 -3.10 0.00 0.00 33.47 28.05 2ch0 s TRP 7 CO 0.77 -0.78 0.80 -2.37 -2.66 0.00 0.00 176.95 172.71 2ch0 n THR 8 N -2.02 0.03 0.10 0.66 5.66 -1.26 -4.66 114.28 112.78 2ch0 n THR 8 Ca 0.10 -0.19 0.19 0.00 -3.05 0.00 0.00 64.05 61.11 2ch0 n THR 8 Cb 0.61 0.56 0.75 0.00 -1.55 0.00 0.00 70.33 70.70 2ch0 n THR 8 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2ch0 h LYS 9 N 0.00 0.00 0.00 1.09 1.57 -1.98 -2.10 116.57 115.15 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 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 2ch0 h LYS 9 CO 0.00 0.00 0.08 0.39 -0.57 0.00 0.00 179.45 179.35 2ch0 n GLU 10 N -4.01 0.12 0.18 3.15 1.02 -1.26 -0.88 120.64 118.98 2ch0 n GLU 10 Ca 0.06 0.62 0.04 0.00 -0.02 0.00 0.00 57.16 57.86 2ch0 n GLU 10 Cb 0.51 -1.99 0.35 0.00 -0.02 0.00 0.00 31.44 30.29 2ch0 n GLU 10 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2ch0 h GLU 11 N 0.00 0.00 -0.86 3.49 4.39 -1.75 -3.32 114.58 116.53 2ch0 h GLU 11 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2ch0 h GLU 11 Cb 0.15 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.76 2ch0 h GLU 11 CO 0.00 0.40 0.53 0.93 -1.16 0.00 0.00 179.01 179.71 2ch0 h GLU 12 N 0.00 1.16 -0.85 2.33 5.08 -1.23 -0.71 114.58 120.35 2ch0 h GLU 12 Ca -0.00 -0.09 0.07 0.00 -1.00 0.00 0.00 59.36 58.33 2ch0 h GLU 12 Cb 0.80 -0.25 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 2ch0 h GLU 12 CO 0.05 0.80 0.56 0.93 -1.00 0.00 0.00 179.01 180.35 2ch0 h GLU 13 N 1.18 0.91 0.08 2.33 5.08 -1.73 -3.25 114.58 119.18 2ch0 h GLU 13 Ca 0.31 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.47 2ch0 h GLU 13 Cb -0.07 -0.20 0.02 0.00 0.50 0.00 0.00 28.75 28.99 2ch0 h GLU 13 CO -0.06 0.60 -0.61 1.79 -1.00 0.00 0.00 179.01 179.73 2ch0 h THR 14 N 0.93 1.54 0.00 1.13 1.35 -1.56 -3.47 112.91 112.83 2ch0 h THR 14 Ca 0.37 -2.37 0.00 0.00 -0.55 0.00 0.00 66.41 63.86 2ch0 h THR 14 Cb 0.25 3.08 0.00 0.00 -1.73 0.00 0.00 68.15 69.75 2ch0 h THR 14 CO -0.14 0.67 0.00 0.54 -0.25 0.00 0.00 175.52 176.34 2ch0 n ARG 15 N -4.24 -0.07 -0.81 4.72 5.12 -0.32 -2.54 116.66 118.52 2ch0 n ARG 15 Ca -0.12 0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.81 2ch0 n ARG 15 Cb 0.72 -3.00 0.00 0.00 -1.16 0.00 0.00 32.46 29.02 2ch0 n ARG 15 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 2ch0 n GLN 16 N -2.02 0.00 -0.03 5.56 7.27 -1.26 -4.76 117.38 122.14 2ch0 n GLN 16 Ca 0.00 0.27 -0.13 0.00 0.07 0.00 0.00 57.00 57.21 2ch0 n GLN 16 Cb 0.02 -0.54 -0.10 0.00 2.41 0.00 0.00 30.24 32.03 2ch0 n GLN 16 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2ch0 h MET 17 N 0.00 0.08 0.00 3.69 -0.00 -1.88 -3.41 114.93 113.40 2ch0 h MET 17 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 59.70 59.65 2ch0 h MET 17 Cb 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 31.60 31.61 2ch0 h MET 17 CO 0.00 0.64 0.32 1.88 -0.00 0.00 0.00 176.91 179.75 2ch0 h TYR 18 N -0.48 0.00 0.00 -0.10 0.05 -1.98 -2.84 116.97 111.63 2ch0 h TYR 18 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2ch0 h TYR 18 Cb 0.64 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.38 2ch0 h TYR 18 CO 0.13 0.00 0.00 -0.25 -1.05 0.00 0.00 178.16 176.99 2ch0 n ASP 19 N -2.61 0.00 0.16 3.88 8.00 -1.26 -4.78 116.55 119.94 2ch0 n ASP 19 Ca -0.02 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.52 2ch0 n ASP 19 Cb 0.36 0.00 0.16 0.00 -0.02 0.00 0.00 41.12 41.62 2ch0 n ASP 19 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 2ch0 h MET 20 N 0.00 0.00 -0.07 -1.24 1.85 -1.88 -3.38 114.93 110.22 2ch0 h MET 20 Ca 0.00 0.00 -0.14 0.00 -0.61 0.00 0.00 59.70 58.95 2ch0 h MET 20 Cb 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.02 2ch0 h MET 20 CO 0.00 0.45 -0.60 -0.39 -0.40 0.00 0.00 176.91 175.97 2ch0 h VAL 21 N 0.00 1.39 -0.95 -5.77 -1.51 -1.81 -3.37 116.25 104.23 2ch0 h VAL 21 Ca -0.00 -1.98 0.16 0.00 -1.23 0.00 0.00 66.70 63.65 2ch0 h VAL 21 Cb 1.19 2.01 -0.10 0.00 -2.13 0.00 0.00 31.29 32.26 2ch0 h VAL 21 CO 0.06 0.58 0.55 0.58 -1.23 0.00 0.00 177.57 178.12 2ch0 h VAL 22 N 0.17 0.75 0.00 7.19 2.07 -1.74 -1.96 116.25 122.72 2ch0 h VAL 22 Ca -0.01 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 2ch0 h VAL 22 Cb 1.10 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 2ch0 h VAL 22 CO 0.09 0.14 -0.26 0.07 0.02 0.00 0.00 177.57 177.63 2ch0 h LYS 23 N 0.76 0.00 0.03 1.57 2.10 -1.85 -3.36 116.57 115.81 2ch0 h LYS 23 Ca 0.53 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.94 2ch0 h LYS 23 Cb 0.74 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.08 2ch0 h LYS 23 CO -0.36 0.26 -1.00 0.82 -2.00 0.00 0.00 179.45 177.17 2ch0 h ILE 24 N 0.00 1.42 -0.43 0.07 5.03 -1.54 -3.29 117.51 118.77 2ch0 h ILE 24 Ca -0.00 -2.57 0.12 0.00 -0.12 0.00 0.00 64.86 62.29 2ch0 h ILE 24 Cb 0.93 2.53 -0.02 0.00 -3.03 0.00 0.00 36.82 37.23 2ch0 h ILE 24 CO 0.03 0.76 0.34 0.16 -0.68 0.00 0.00 178.15 178.76 2ch0 h ILE 25 N 0.19 0.66 0.00 -0.67 3.07 -1.68 0.62 117.51 119.71 2ch0 h ILE 25 Ca -0.09 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.32 2ch0 h ILE 25 Cb 1.65 0.76 0.00 0.00 -0.27 0.00 0.00 36.82 38.96 2ch0 h ILE 25 CO 0.17 0.00 0.03 -0.78 -1.05 0.00 0.00 178.15 176.52 2ch0 h ASP 26 N 0.00 0.00 0.25 2.16 3.58 -1.79 -2.68 116.42 117.94 2ch0 h ASP 26 Ca 0.20 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.64 2ch0 h ASP 26 Cb 0.87 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.93 2ch0 h ASP 26 CO -0.00 0.00 -0.12 -0.37 -2.88 0.00 0.00 179.24 175.87 2ch0 h VAL 27 N 0.00 0.75 0.17 2.25 -1.51 0.06 -3.30 116.25 114.68 2ch0 h VAL 27 Ca 0.00 -0.81 -0.01 0.00 -1.23 0.00 0.00 66.70 64.65 2ch0 h VAL 27 Cb 0.07 1.16 0.00 0.00 -2.13 0.00 0.00 31.29 30.39 2ch0 h VAL 27 CO 0.00 0.16 -0.08 -0.07 -1.23 0.00 0.00 177.57 176.34 2ch0 h LEU 28 N -0.79 -0.19 -1.94 4.19 -0.00 -1.65 -3.26 115.31 111.67 2ch0 h LEU 28 Ca -0.03 -0.34 0.17 0.00 -0.00 0.00 0.00 57.88 57.67 2ch0 h LEU 28 Cb 0.51 0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 41.19 2ch0 h LEU 28 CO 0.06 0.31 0.54 -0.09 -0.00 0.00 0.00 178.44 179.26 2ch0 h ARG 29 N -0.78 0.00 0.03 1.13 2.43 -1.70 -2.28 114.38 113.21 2ch0 h ARG 29 Ca -0.02 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2ch0 h ARG 29 Cb 0.52 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 2ch0 h ARG 29 CO 0.04 0.00 -0.01 0.77 -1.51 0.00 0.00 179.97 179.25 2ch0 h SER 30 N 0.00 -0.03 0.00 -3.80 0.02 -1.64 -3.30 113.55 104.80 2ch0 h SER 30 Ca 0.28 -0.70 -0.05 0.00 -0.84 0.00 0.00 61.79 60.48 2ch0 h SER 30 Cb 1.35 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.88 2ch0 h SER 30 CO -0.00 0.74 -0.13 0.45 -1.14 0.00 0.00 176.83 176.75 2ch0 h HIS 31 N -0.86 0.28 -0.61 3.45 3.86 -1.56 -3.20 115.15 116.51 2ch0 h HIS 31 Ca -0.00 -0.03 0.15 0.00 -1.16 0.00 0.00 60.37 59.33 2ch0 h HIS 31 Cb 0.73 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 29.09 2ch0 h HIS 31 CO 0.18 0.39 0.43 -0.91 0.86 0.00 0.00 177.93 178.88 2ch0 h ASN 32 N 0.25 0.12 -0.17 2.45 2.35 -1.51 0.25 115.58 119.32 2ch0 h ASN 32 Ca 0.05 0.01 -0.17 0.00 -0.55 0.00 0.00 56.30 55.64 2ch0 h ASN 32 Cb 0.38 -0.02 0.01 0.00 0.05 0.00 0.00 38.32 38.74 2ch0 h ASN 32 CO 0.02 0.06 -0.55 -0.33 -1.65 0.00 0.00 177.43 174.98 2ch0 h GLU 33 N 0.12 0.68 0.00 0.81 5.08 -1.63 -3.25 114.58 116.39 2ch0 h GLU 33 Ca 0.29 -0.50 -0.07 0.00 -1.00 0.00 0.00 59.36 58.08 2ch0 h GLU 33 Cb 0.98 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2ch0 h GLU 33 CO -0.04 1.12 -0.35 0.00 -1.00 0.00 0.00 179.01 178.75 2ch0 h ALA 34 N 0.56 0.95 -0.85 3.43 0.00 -1.61 -3.34 119.26 118.39 2ch0 h ALA 34 Ca -0.02 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.60 2ch0 h ALA 34 Cb 1.18 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 2ch0 h ALA 34 CO 0.12 0.43 0.56 0.00 0.00 0.00 0.00 179.25 180.36 2ch0 n GLN 36 N -4.42 0.02 -0.06 0.00 -0.00 -1.25 -3.25 117.38 108.41 2ch0 n GLN 36 Ca 0.10 0.32 -0.12 0.00 -0.00 0.00 0.00 57.00 57.30 2ch0 n GLN 36 Cb 0.06 -1.55 -0.05 0.00 -0.00 0.00 0.00 30.24 28.71 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 -1.60 0.27 -3.90 2.61 2.13 -0.99 -0.42 120.64 118.74 2ch0 n GLU 37 Ca 0.03 0.11 -0.30 0.00 0.66 0.00 0.00 57.16 57.66 2ch0 n GLU 37 Cb 0.14 -0.99 -0.16 0.00 0.27 0.00 0.00 31.44 30.71 2ch0 n GLU 37 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 2ch0 s ASN 38 N -5.95 3.58 0.18 4.31 0.01 0.81 -2.15 114.94 115.73 2ch0 s ASN 38 Ca -0.17 -1.06 -0.13 0.00 -0.71 0.00 0.00 52.86 50.79 2ch0 s ASN 38 Cb 0.06 -1.05 0.19 0.00 0.41 0.00 0.00 41.25 40.87 2ch0 s ASN 38 CO 0.23 -0.24 1.18 2.29 -1.51 0.00 0.00 177.10 179.04 2ch0 n LYS 39 N 4.76 -0.17 -3.31 -0.60 -0.00 -1.20 -2.88 118.16 114.75 2ch0 n LYS 39 Ca -0.11 1.17 -0.22 0.00 -0.00 0.00 0.00 58.31 59.14 2ch0 n LYS 39 Cb 0.45 -1.73 -0.08 0.00 -0.00 0.00 0.00 35.03 33.66 2ch0 n LYS 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2ch0 s ASP 40 N -5.27 1.26 0.58 -5.58 1.11 -1.26 0.08 116.67 107.59 2ch0 s ASP 40 Ca -0.10 -2.36 0.36 0.00 0.18 0.00 0.00 52.55 50.63 2ch0 s ASP 40 Cb 0.16 0.13 1.74 0.00 1.07 0.00 0.00 42.92 46.02 2ch0 s ASP 40 CO 0.54 -0.20 2.13 0.17 1.18 0.00 0.00 175.17 178.99 2ch0 h LEU 41 N 6.16 0.00 -3.92 1.23 -0.00 -1.83 -2.89 115.31 114.06 2ch0 h LEU 41 Ca 0.15 0.00 -0.60 0.00 -0.00 0.00 0.00 57.88 57.43 2ch0 h LEU 41 Cb 0.98 0.00 -0.28 0.00 -0.00 0.00 0.00 40.66 41.37 2ch0 h LEU 41 CO 0.26 0.03 0.77 1.67 -0.00 0.00 0.00 178.44 181.16 2ch0 n GLN 42 N -3.18 2.47 -0.11 0.17 7.27 -1.26 -4.93 117.38 117.80 2ch0 n GLN 42 Ca -0.01 -3.02 0.14 0.00 0.07 0.00 0.00 57.00 54.18 2ch0 n GLN 42 Cb 0.22 -2.18 0.51 0.00 2.41 0.00 0.00 30.24 31.20 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 1.65 0.38 -2.02 3.69 0.13 -1.74 -1.35 132.00 132.75 2ch0 h PRO 43 Ca 0.58 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.65 2ch0 h PRO 43 Cb 1.39 -0.09 -0.21 0.00 0.13 0.00 0.00 31.00 32.22 2ch0 h PRO 43 CO 1.37 0.25 0.11 0.71 -0.23 0.00 0.00 178.00 180.21 2ch0 s TYR 44 N -5.38 -0.81 -0.05 1.56 2.02 -1.26 -4.58 117.35 108.85 2ch0 s TYR 44 Ca -0.08 1.93 -0.05 0.00 -0.37 0.00 0.00 57.07 58.51 2ch0 s TYR 44 Cb 0.20 0.31 0.01 0.00 -0.40 0.00 0.00 41.96 42.09 2ch0 s TYR 44 CO 0.76 -0.39 0.14 -1.64 -1.57 0.00 0.00 175.55 172.85 2ch0 s MET 45 N 0.53 0.19 1.02 -0.62 -1.94 -0.79 -4.98 119.30 112.71 2ch0 s MET 45 Ca -0.01 0.17 -0.12 0.00 -1.71 0.00 0.00 55.69 54.02 2ch0 s MET 45 Cb -0.05 0.09 0.20 0.00 2.01 0.00 0.00 34.83 37.08 2ch0 s MET 45 CO -0.02 -0.02 1.08 -1.25 -0.01 0.00 0.00 175.02 174.80 2ch0 s PRO 46 N 0.00 0.23 0.10 2.03 0.04 -1.26 -0.90 135.00 135.25 2ch0 s PRO 46 Ca -0.01 0.73 -0.19 0.00 0.04 0.00 0.00 61.00 61.58 2ch0 s PRO 46 Cb -0.01 -1.70 -0.07 0.00 0.04 0.00 0.00 34.50 32.76 2ch0 s PRO 46 CO 0.00 -2.92 1.66 0.82 0.04 0.00 0.00 177.00 176.61 2ch0 h ILE 47 N -2.04 1.16 0.00 0.56 2.04 -1.92 0.17 117.51 117.48 2ch0 h ILE 47 Ca -0.55 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 64.85 2ch0 h ILE 47 Cb 1.32 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.41 2ch0 h ILE 47 CO 0.54 0.16 0.36 -0.81 0.00 0.00 0.00 178.15 178.39 2ch0 n PRO 48 N -4.81 0.07 -0.32 2.37 -0.05 -1.26 -4.07 135.00 126.92 2ch0 n PRO 48 Ca -0.03 0.52 0.07 0.00 -0.05 0.00 0.00 63.50 64.00 2ch0 n PRO 48 Cb 0.11 -2.08 0.22 0.00 -0.05 0.00 0.00 33.50 31.71 2ch0 n PRO 48 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 175.50 176.57 2ch0 h HIS 49 N 0.00 0.95 -0.07 0.54 2.07 -0.96 -0.23 115.15 117.45 2ch0 h HIS 49 Ca 0.00 0.03 -0.10 0.00 -2.85 0.00 0.00 60.37 57.45 2ch0 h HIS 49 Cb 0.71 -0.29 -0.01 0.00 2.57 0.00 0.00 27.41 30.39 2ch0 h HIS 49 CO 0.00 0.32 -0.41 -0.39 -3.07 0.00 0.00 177.93 174.38 2ch0 h VAL 50 N 0.80 1.31 -0.07 6.12 -1.51 -1.74 -2.70 116.25 118.46 2ch0 h VAL 50 Ca 0.47 -1.48 0.02 0.00 -1.23 0.00 0.00 66.70 64.48 2ch0 h VAL 50 Cb 0.55 1.71 -0.00 0.00 -2.13 0.00 0.00 31.29 31.42 2ch0 h VAL 50 CO -0.30 0.43 0.25 -0.09 -1.23 0.00 0.00 177.57 176.63 2ch0 h ARG 51 N 0.12 0.00 0.00 5.19 1.12 -1.24 0.25 114.38 119.82 2ch0 h ARG 51 Ca 0.01 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.85 2ch0 h ARG 51 Cb 0.78 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.73 2ch0 h ARG 51 CO 0.06 0.00 -0.14 0.22 -3.11 0.00 0.00 179.97 176.99 2ch0 h ASP 52 N 0.00 0.00 0.49 -3.80 3.58 -1.32 -3.22 116.42 112.14 2ch0 h ASP 52 Ca 0.03 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.35 2ch0 h ASP 52 Cb 0.54 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.56 2ch0 h ASP 52 CO -0.00 0.14 -1.63 -0.24 -2.88 0.00 0.00 179.24 174.64 2ch0 n SER 53 N -3.85 0.53 0.23 2.28 2.88 0.75 -4.06 113.62 112.38 2ch0 n SER 53 Ca -0.02 0.23 0.09 0.00 -1.33 0.00 0.00 58.87 57.84 2ch0 n SER 53 Cb 0.24 0.75 0.54 0.00 -0.75 0.00 0.00 64.21 65.00 2ch0 n SER 53 CO 0.00 0.00 0.00 0.17 -1.23 0.00 0.00 175.04 173.98 2ch0 h LEU 54 N 0.00 0.00 -7.21 2.46 -0.00 -1.27 -3.40 115.31 105.89 2ch0 h LEU 54 Ca -0.16 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.65 2ch0 h LEU 54 Cb 1.45 0.00 -0.17 0.00 -0.00 0.00 0.00 40.66 41.94 2ch0 h LEU 54 CO 0.02 0.22 0.02 -0.63 -0.00 0.00 0.00 178.44 178.08 2ch0 s ILE 55 N -3.95 0.03 -0.13 0.15 1.09 -1.26 -4.91 121.20 112.22 2ch0 s ILE 55 Ca -0.01 -0.24 -0.07 0.00 -1.10 0.00 0.00 60.65 59.23 2ch0 s ILE 55 Cb 0.12 -0.93 -0.26 0.00 -1.06 0.00 0.00 42.46 40.34 2ch0 s ILE 55 CO 0.63 -0.13 0.34 0.00 -0.10 0.00 0.00 174.94 175.68 2ch0 n GLN 56 N 0.66 0.75 0.00 2.79 3.00 -1.26 -4.46 117.38 118.86 2ch0 n GLN 56 Ca -0.19 0.28 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 2ch0 n GLN 56 Cb 0.59 -1.71 0.00 0.00 0.00 0.00 0.00 30.24 29.12 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 -3.54 0.00 0.19 -1.09 -0.04 -1.26 -4.74 135.00 124.52 2ch0 n PRO 57 Ca -0.32 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.19 2ch0 n PRO 57 Cb 1.02 0.00 0.36 0.00 -0.04 0.00 0.00 33.50 34.84 2ch0 n PRO 57 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2ch0 h HIS 58 N 0.00 0.00 -0.20 0.54 -0.00 -2.03 -3.06 115.15 110.40 2ch0 h HIS 58 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2ch0 h HIS 58 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2ch0 h HIS 58 CO 0.00 0.38 0.00 -0.25 -0.00 0.00 0.00 177.93 178.06 2ch0 n ASP 59 N -3.66 1.57 -0.23 3.26 8.00 -1.26 -4.53 116.55 119.69 2ch0 n ASP 59 Ca -0.01 -1.78 0.01 0.00 0.71 0.00 0.00 54.79 53.72 2ch0 n ASP 59 Cb 0.48 -0.13 0.08 0.00 -0.02 0.00 0.00 41.12 41.53 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 1.96 0.02 0.00 -1.24 -0.00 -1.75 -1.89 114.38 111.47 2ch0 h ARG 60 Ca 0.00 -0.00 -0.05 0.00 -0.00 0.00 0.00 59.98 59.93 2ch0 h ARG 60 Cb 0.44 -0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.39 2ch0 h ARG 60 CO 0.00 0.01 -0.22 -0.22 -0.00 0.00 0.00 179.97 179.55 2ch0 h LYS 61 N 0.02 0.00 -0.04 0.08 3.11 -1.86 -3.34 116.57 114.54 2ch0 h LYS 61 Ca 0.33 0.00 0.01 0.00 -2.81 0.00 0.00 60.65 58.19 2ch0 h LYS 61 Cb 0.52 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.75 2ch0 h LYS 61 CO -0.68 0.22 0.32 -0.22 -2.81 0.00 0.00 179.45 176.28 2ch0 h LYS 62 N 0.00 0.00 -0.10 1.90 3.64 -1.66 0.07 116.57 120.42 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 0.65 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 2ch0 h LYS 62 CO 0.03 0.00 0.00 -1.33 -2.27 0.00 0.00 179.45 175.88 2ch0 n MET 63 N -3.00 1.48 0.15 1.90 2.81 -1.25 -4.56 117.12 114.65 2ch0 n MET 63 Ca -0.01 -1.36 -0.00 0.00 -1.81 0.00 0.00 57.70 54.52 2ch0 n MET 63 Cb 0.38 -1.13 0.23 0.00 -0.71 0.00 0.00 33.22 31.99 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 1.15 0.02 -0.32 0.03 3.64 -1.11 0.11 116.57 120.09 2ch0 h LYS 64 Ca 0.00 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 2ch0 h LYS 64 Cb 0.45 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2ch0 h LYS 64 CO 0.00 0.55 -0.18 -0.22 -2.27 0.00 0.00 179.45 177.33 2ch0 h LYS 65 N 0.02 0.68 -0.00 1.90 3.11 -1.79 -3.13 116.57 117.36 2ch0 h LYS 65 Ca -0.00 -0.31 -0.17 0.00 -2.81 0.00 0.00 60.65 57.35 2ch0 h LYS 65 Cb 0.95 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.15 2ch0 h LYS 65 CO 0.07 0.91 -0.80 -0.24 -2.81 0.00 0.00 179.45 176.58 2ch0 h VAL 66 N 0.45 1.55 -0.94 2.00 3.04 -1.82 -3.30 116.25 117.23 2ch0 h VAL 66 Ca 0.07 -2.69 0.18 0.00 -1.01 0.00 0.00 66.70 63.25 2ch0 h VAL 66 Cb 0.72 2.46 -0.10 0.00 -2.01 0.00 0.00 31.29 32.35 2ch0 h VAL 66 CO 0.05 0.77 0.53 -0.25 -1.01 0.00 0.00 177.57 177.66 2ch0 h TRP 67 N 0.02 0.92 -0.88 3.17 2.91 -0.79 0.22 115.95 121.52 2ch0 h TRP 67 Ca -0.01 0.04 0.12 0.00 1.13 0.00 0.00 58.89 60.16 2ch0 h TRP 67 Cb 1.42 -0.26 -0.07 0.00 -0.51 0.00 0.00 29.16 29.73 2ch0 h TRP 67 CO 0.01 0.18 0.57 -0.44 -1.03 0.00 0.00 178.44 177.73 2ch0 h ASP 68 N 0.67 0.71 0.05 2.65 3.32 -1.62 0.62 116.42 122.81 2ch0 h ASP 68 Ca 0.54 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.62 2ch0 h ASP 68 Cb 0.84 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.28 2ch0 h ASP 68 CO -0.39 0.39 -0.02 -0.09 -1.72 0.00 0.00 179.24 177.40 2ch0 h ARG 69 N 0.77 -0.06 -0.79 3.56 9.65 -1.57 -3.39 114.38 122.55 2ch0 h ARG 69 Ca 0.43 0.00 0.06 0.00 -1.10 0.00 0.00 59.98 59.38 2ch0 h ARG 69 Cb 0.58 0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 29.12 2ch0 h ARG 69 CO -0.19 0.49 0.52 0.00 2.80 0.00 0.00 179.97 183.59 2ch0 h ALA 70 N -0.35 1.63 -0.31 2.80 0.00 -0.06 -1.59 119.26 121.38 2ch0 h ALA 70 Ca -0.01 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.97 2ch0 h ALA 70 Cb 0.58 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2ch0 h ALA 70 CO 0.01 0.24 0.23 -0.24 0.00 0.00 0.00 179.25 179.49 2ch0 h VAL 71 N 0.86 0.82 -0.11 0.00 3.04 -0.00 -3.02 116.25 117.83 2ch0 h VAL 71 Ca 0.34 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 66.04 2ch0 h VAL 71 Cb 0.24 0.84 -0.01 0.00 -2.01 0.00 0.00 31.29 30.35 2ch0 h VAL 71 CO -0.12 0.00 0.08 -0.78 -1.01 0.00 0.00 177.57 175.74 2ch0 h ASP 72 N 0.00 0.09 0.63 3.17 1.82 -1.47 0.48 116.42 121.14 2ch0 h ASP 72 Ca 0.15 -0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.75 2ch0 h ASP 72 Cb 0.60 -0.02 0.01 0.00 0.68 0.00 0.00 39.33 40.60 2ch0 h ASP 72 CO -0.00 0.07 -0.30 0.15 -1.61 0.00 0.00 179.24 177.54 2ch0 h PHE 73 N 0.11 -0.79 0.00 0.28 3.57 -1.36 -3.18 116.94 115.59 2ch0 h PHE 73 Ca 0.05 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.54 2ch0 h PHE 73 Cb 0.05 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 2ch0 h PHE 73 CO -0.00 -0.44 -0.11 1.25 -2.23 0.00 0.00 178.31 176.78 2ch0 h LEU 74 N -1.10 -0.31 -0.56 0.59 5.85 -1.46 0.84 115.31 119.16 2ch0 h LEU 74 Ca -0.09 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2ch0 h LEU 74 Cb 0.69 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.85 2ch0 h LEU 74 CO 0.14 -0.15 0.00 0.00 -0.34 0.00 0.00 178.44 178.09 2ch0 n ALA 75 N -2.37 1.64 -0.07 1.25 0.00 0.16 -0.43 120.51 120.69 2ch0 n ALA 75 Ca -0.06 0.06 -0.11 0.00 0.00 0.00 0.00 53.44 53.34 2ch0 n ALA 75 Cb 0.16 -1.35 -0.15 0.00 0.00 0.00 0.00 19.45 18.11 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 -1.71 1.46 -0.06 0.00 0.00 -1.01 -4.67 120.51 114.52 2ch0 n ALA 76 Ca 0.02 -1.08 -0.22 0.00 0.00 0.00 0.00 53.44 52.16 2ch0 n ALA 76 Cb 0.21 -0.44 -0.12 0.00 0.00 0.00 0.00 19.45 19.10 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 -2.92 1.97 -4.85 0.00 4.05 0.26 -5.02 115.26 108.74 2ch0 n ASN 77 Ca -0.28 0.33 -0.36 0.00 0.45 0.00 0.00 54.58 54.72 2ch0 n ASN 77 Cb 1.10 -0.92 -0.06 0.00 1.23 0.00 0.00 39.78 41.14 2ch0 n ASN 77 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 2ch0 s GLU 78 N -2.45 3.83 -0.39 1.20 0.41 0.42 -5.05 118.70 116.68 2ch0 s GLU 78 Ca -0.27 0.29 0.12 0.00 -0.41 0.00 0.00 54.97 54.70 2ch0 s GLU 78 Cb 0.07 -3.10 0.37 0.00 -1.78 0.00 0.00 34.13 29.69 2ch0 s GLU 78 CO 0.66 0.62 0.83 -1.13 -0.49 0.00 0.00 175.26 175.74 2ch0 n SER 79 N 1.33 1.68 0.00 -0.19 3.41 -1.26 -4.79 113.62 113.79 2ch0 n SER 79 Ca -0.11 -3.08 0.00 0.00 -0.26 0.00 0.00 58.87 55.42 2ch0 n SER 79 Cb 0.52 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 2ch0 n SER 79 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2ch0 n ARG 80 N 0.10 0.00 -2.23 4.33 1.85 -1.26 -5.04 116.66 114.40 2ch0 n ARG 80 Ca 0.23 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.69 2ch0 n ARG 80 Cb 0.65 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 32.04 2ch0 n ARG 80 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 2ch0 s VAL 81 N 0.00 2.99 0.19 8.89 -7.23 -1.26 -4.79 120.40 119.18 2ch0 s VAL 81 Ca 0.00 0.93 0.07 0.00 -1.81 0.00 0.00 61.98 61.17 2ch0 s VAL 81 Cb 0.00 -3.57 -0.04 0.00 0.56 0.00 0.00 36.38 33.33 2ch0 s VAL 81 CO 0.00 0.17 0.06 0.00 -0.31 0.00 0.00 175.10 175.03 2ch0 s ARG 82 N -1.93 2.61 -0.42 4.82 1.70 -0.17 -4.83 118.95 120.74 2ch0 s ARG 82 Ca 0.51 -1.05 -0.17 0.00 -0.47 0.00 0.00 55.73 54.55 2ch0 s ARG 82 Cb -0.35 -2.45 0.02 0.00 -0.57 0.00 0.00 34.95 31.59 2ch0 s ARG 82 CO 0.46 0.45 0.40 0.99 -1.08 0.00 0.00 175.30 176.51 2ch0 s THR 83 N -1.83 5.14 0.08 4.99 2.01 -1.26 -1.52 115.64 123.25 2ch0 s THR 83 Ca 0.30 -0.46 0.06 0.00 0.31 0.00 0.00 61.69 61.90 2ch0 s THR 83 Cb -0.09 -4.01 -0.03 0.00 0.01 0.00 0.00 72.50 68.38 2ch0 s THR 83 CO 0.21 -0.39 -0.16 -0.70 -0.69 0.00 0.00 174.62 172.89 2ch0 s GLU 84 N 1.99 0.91 -0.42 4.92 2.12 -0.74 -4.92 118.70 122.56 2ch0 s GLU 84 Ca 0.10 -1.02 -0.23 0.00 0.36 0.00 0.00 54.97 54.17 2ch0 s GLU 84 Cb -0.18 -0.97 0.02 0.00 0.26 0.00 0.00 34.13 33.27 2ch0 s GLU 84 CO 0.12 0.22 0.78 0.99 -0.54 0.00 0.00 175.26 176.83 2ch0 s THR 85 N -1.31 4.67 -0.02 -1.70 2.01 -1.26 -1.38 115.64 116.67 2ch0 s THR 85 Ca 0.01 0.59 0.05 0.00 0.31 0.00 0.00 61.69 62.64 2ch0 s THR 85 Cb -0.10 -4.28 -0.01 0.00 0.01 0.00 0.00 72.50 68.12 2ch0 s THR 85 CO 0.03 -0.62 -0.16 -0.60 -0.69 0.00 0.00 174.62 172.58 2ch0 s ARG 86 N 3.23 1.35 -0.35 4.92 3.00 -0.26 -4.89 118.95 125.96 2ch0 s ARG 86 Ca 0.30 -0.57 -0.25 0.00 -1.00 0.00 0.00 55.73 54.22 2ch0 s ARG 86 Cb -0.12 -1.28 0.01 0.00 0.00 0.00 0.00 34.95 33.55 2ch0 s ARG 86 CO 0.21 0.32 0.86 0.50 0.00 0.00 0.00 175.30 177.19 2ch0 s ARG 87 N -0.30 3.86 -0.08 5.12 3.52 -1.26 -1.52 118.95 128.30 2ch0 s ARG 87 Ca 0.04 0.53 -0.01 0.00 -0.13 0.00 0.00 55.73 56.17 2ch0 s ARG 87 Cb -0.07 -3.78 0.03 0.00 -1.56 0.00 0.00 34.95 29.56 2ch0 s ARG 87 CO -0.00 -0.85 -0.03 0.96 -0.81 0.00 0.00 175.30 174.57 2ch0 s ILE 88 N 3.24 0.58 -1.10 4.11 -0.00 0.89 -4.75 121.20 124.17 2ch0 s ILE 88 Ca 0.35 -0.04 0.00 0.00 -0.00 0.00 0.00 60.65 60.96 2ch0 s ILE 88 Cb -0.13 -0.68 0.00 0.00 -0.00 0.00 0.00 42.46 41.66 2ch0 s ILE 88 CO 0.16 0.28 0.00 0.61 -0.00 0.00 0.00 174.94 176.00 2ch0 n GLY 89 N 4.85 1.11 1.49 6.27 0.00 -1.26 -2.36 105.19 115.28 2ch0 n GLY 89 Ca -0.12 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.36 2ch0 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ch0 n GLY 90 N -1.65 0.59 2.97 -0.02 0.00 -1.26 -5.08 105.19 100.74 2ch0 n GLY 90 Ca -0.11 -0.32 -0.19 0.00 0.00 0.00 0.00 46.02 45.40 2ch0 n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ch0 s ALA 91 N -2.00 0.75 -0.38 4.61 0.00 -1.00 -5.09 121.76 118.65 2ch0 s ALA 91 Ca 0.00 -0.24 -0.19 0.00 0.00 0.00 0.00 51.96 51.53 2ch0 s ALA 91 Cb 0.00 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.82 2ch0 s ALA 91 CO 0.00 0.10 0.56 0.16 0.00 0.00 0.00 175.76 176.58 2ch0 s ASP 92 N 0.32 6.32 0.35 0.00 -4.77 -1.26 -0.08 116.67 117.54 2ch0 s ASP 92 Ca -0.05 -0.17 0.06 0.00 -3.30 0.00 0.00 52.55 49.09 2ch0 s ASP 92 Cb -0.09 -2.29 -0.07 0.00 -1.09 0.00 0.00 42.92 39.39 2ch0 s ASP 92 CO 0.00 -0.59 0.01 -0.36 0.70 0.00 0.00 175.17 174.93 2ch0 s PHE 93 N 2.53 2.17 -0.28 2.11 0.08 -0.58 -4.84 117.98 119.17 2ch0 s PHE 93 Ca 0.20 -0.78 -0.21 0.00 0.12 0.00 0.00 56.93 56.26 2ch0 s PHE 93 Cb -0.15 -1.42 -0.01 0.00 -0.57 0.00 0.00 43.02 40.87 2ch0 s PHE 93 CO 0.15 0.24 0.64 -0.51 -0.10 0.00 0.00 175.22 175.65 2ch0 s LEU 94 N -3.56 4.10 0.20 -0.37 1.02 -1.26 -1.10 118.68 117.71 2ch0 s LEU 94 Ca 0.34 0.58 0.08 0.00 0.02 0.00 0.00 54.13 55.15 2ch0 s LEU 94 Cb 0.08 -2.86 -0.04 0.00 0.02 0.00 0.00 46.19 43.39 2ch0 s LEU 94 CO 0.16 -0.44 0.03 0.68 0.02 0.00 0.00 176.35 176.79 2ch0 s VAL 95 N 2.59 3.79 -0.20 -1.59 -7.23 -0.48 -4.09 120.40 113.19 2ch0 s VAL 95 Ca 0.26 -1.49 -0.10 0.00 -1.81 0.00 0.00 61.98 58.85 2ch0 s VAL 95 Cb -0.15 -2.94 -0.05 0.00 0.56 0.00 0.00 36.38 33.80 2ch0 s VAL 95 CO 0.10 -0.18 0.12 0.26 -0.31 0.00 0.00 175.10 175.10 2ch0 s TRP 96 N -1.87 3.36 0.06 2.82 0.51 -0.07 -1.79 118.94 121.96 2ch0 s TRP 96 Ca 0.29 0.26 0.03 0.00 -2.12 0.00 0.00 56.10 54.56 2ch0 s TRP 96 Cb -0.09 -2.16 -0.03 0.00 -0.81 0.00 0.00 33.47 30.38 2ch0 s TRP 96 CO 0.20 0.22 -0.09 -0.98 -0.51 0.00 0.00 176.95 175.78 2ch0 s ARG 97 N 0.49 0.66 -0.01 4.98 1.70 -0.57 -1.89 118.95 124.32 2ch0 s ARG 97 Ca 0.07 -0.91 0.03 0.00 -0.47 0.00 0.00 55.73 54.45 2ch0 s ARG 97 Cb -0.12 -0.44 -0.03 0.00 -0.57 0.00 0.00 34.95 33.79 2ch0 s ARG 97 CO -0.00 0.08 -0.09 -0.46 -1.08 0.00 0.00 175.30 173.74 2ch0 s TRP 98 N -1.70 2.83 -0.28 5.89 -0.00 -0.51 -1.00 118.94 124.17 2ch0 s TRP 98 Ca -0.04 -0.07 0.01 0.00 -0.00 0.00 0.00 56.10 55.99 2ch0 s TRP 98 Cb -0.08 -1.61 0.08 0.00 -0.00 0.00 0.00 33.47 31.87 2ch0 s TRP 98 CO 0.00 0.33 0.01 0.96 -0.00 0.00 0.00 176.95 178.25 2ch0 s ILE 99 N -0.93 1.49 -0.36 5.86 -4.36 -1.26 -4.50 121.20 117.14 2ch0 s ILE 99 Ca 0.15 -1.49 -0.03 0.00 -0.26 0.00 0.00 60.65 59.02 2ch0 s ILE 99 Cb -0.11 -1.93 0.08 0.00 1.25 0.00 0.00 42.46 41.75 2ch0 s ILE 99 CO 0.05 -0.36 0.12 -1.58 0.24 0.00 0.00 174.94 173.42 2ch0 s GLN 100 N 1.36 2.23 0.55 0.37 2.00 0.11 -5.02 119.66 121.26 2ch0 s GLN 100 Ca 0.02 -1.55 -0.21 0.00 -2.00 0.00 0.00 55.36 51.62 2ch0 s GLN 100 Cb -0.18 -3.43 -0.05 0.00 0.80 0.00 0.00 33.01 30.14 2ch0 s GLN 100 CO -0.11 -0.87 1.25 -2.14 -0.50 0.00 0.00 175.29 172.92 2ch0 s PRO 101 N 1.21 3.20 2.83 1.67 0.02 -1.26 -4.34 135.00 138.33 2ch0 s PRO 101 Ca 0.02 1.95 0.00 0.00 0.02 0.00 0.00 61.00 63.00 2ch0 s PRO 101 Cb -0.21 -2.15 0.00 0.00 0.02 0.00 0.00 34.50 32.16 2ch0 s PRO 101 CO -0.02 -1.05 0.00 -1.13 -0.33 0.00 0.00 177.00 174.46 2ch0 n SER 102 N -1.15 0.00 0.00 2.53 3.41 -1.26 -4.98 113.62 112.17 2ch0 n SER 102 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 2ch0 n SER 102 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 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 3.79 0.00 -0.02 7.33 0.00 -1.26 -4.79 120.51 125.56 2ch0 n ALA 103 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 2ch0 n ALA 103 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 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 0.00 2.59 0.00 0.00 7.64 0.43 -4.95 113.62 119.33 2ch0 n SER 104 Ca 0.00 -1.86 0.00 0.00 1.01 0.00 0.00 58.87 58.02 2ch0 n SER 104 Cb 0.00 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 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 1.86 1.63 -4.17 0.00 8.00 -1.26 -4.57 116.55 118.04 2ch0 n ASP 106 Ca 0.00 -0.87 -0.31 0.00 0.71 0.00 0.00 54.79 54.32 2ch0 n ASP 106 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 41.12 40.93 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 -1.56 2.89 0.02 -1.24 2.20 -1.26 -4.31 119.74 116.47 2ch0 s LYS 107 Ca 0.00 -0.81 -0.17 0.00 -0.36 0.00 0.00 55.97 54.62 2ch0 s LYS 107 Cb 0.00 -2.27 -0.33 0.00 -1.51 0.00 0.00 37.83 33.72 2ch0 s LYS 107 CO 0.00 0.06 1.00 0.97 -0.36 0.00 0.00 175.35 177.03 2ch0 h ILE 108 N 5.80 1.33 -0.98 5.43 6.09 -1.97 -3.51 117.51 129.69 2ch0 h ILE 108 Ca -0.27 -2.60 0.00 0.00 -1.37 0.00 0.00 64.86 60.63 2ch0 h ILE 108 Cb 1.21 3.00 0.00 0.00 0.47 0.00 0.00 36.82 41.50 2ch0 h ILE 108 CO 0.51 0.77 -0.25 0.18 -3.07 0.00 0.00 178.15 176.29 2ch0 n LEU 109 N -3.84 -0.86 -0.40 2.19 4.77 -1.26 -4.94 117.00 112.66 2ch0 n LEU 109 Ca -0.15 0.78 0.04 0.00 -0.03 0.00 0.00 56.01 56.65 2ch0 n LEU 109 Cb 1.01 -0.08 0.07 0.00 -2.33 0.00 0.00 43.42 42.10 2ch0 n LEU 109 CO 0.57 -0.05 0.48 0.55 -1.33 0.00 0.00 177.39 177.61 2ch0 n VAL 110 N -1.40 0.45 -4.43 4.08 3.14 -1.26 -4.95 118.33 113.96 2ch0 n VAL 110 Ca 0.00 -0.72 -0.21 0.00 -2.96 0.00 0.00 64.34 60.45 2ch0 n VAL 110 Cb 0.07 0.87 -0.16 0.00 -1.06 0.00 0.00 33.84 33.56 2ch0 n VAL 110 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2ch0 s ILE 111 N -0.84 0.84 -0.37 1.55 1.01 -1.26 -5.07 121.20 117.06 2ch0 s ILE 111 Ca 0.13 -0.39 -0.06 0.00 0.00 0.00 0.00 60.65 60.33 2ch0 s ILE 111 Cb 0.08 -0.75 -0.18 0.00 0.01 0.00 0.00 42.46 41.62 2ch0 s ILE 111 CO 0.11 0.26 2.94 -0.81 0.00 0.00 0.00 174.94 177.44 2ch0 n PRO 112 N 3.28 2.03 -3.05 2.79 -0.04 -1.26 -4.76 135.00 133.99 2ch0 n PRO 112 Ca -0.18 -1.12 -0.39 0.00 -0.04 0.00 0.00 63.50 61.77 2ch0 n PRO 112 Cb 0.54 -2.12 -0.01 0.00 -0.04 0.00 0.00 33.50 31.87 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 2.94 5.96 -4.24 3.54 3.41 -1.26 -4.98 113.62 118.99 2ch0 n SER 113 Ca 0.44 -3.46 -0.36 0.00 -0.26 0.00 0.00 58.87 55.23 2ch0 n SER 113 Cb 0.60 -1.12 -0.13 0.00 -0.26 0.00 0.00 64.21 63.29 2ch0 n SER 113 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2ch0 s LYS 114 N -2.92 2.72 0.47 4.33 1.02 -1.26 -5.03 119.74 119.06 2ch0 s LYS 114 Ca 0.34 -1.09 0.30 0.00 0.02 0.00 0.00 55.97 55.55 2ch0 s LYS 114 Cb 0.09 -3.24 1.39 0.00 -0.52 0.00 0.00 37.83 35.55 2ch0 s LYS 114 CO 0.06 -0.54 1.72 0.28 -0.92 0.00 0.00 175.35 175.94 2ch0 h VAL 115 N 6.19 0.32 -0.17 3.17 2.07 -1.93 -0.05 116.25 125.84 2ch0 h VAL 115 Ca -0.27 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 67.13 2ch0 h VAL 115 Cb 1.09 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 2ch0 h VAL 115 CO 0.57 0.03 -0.19 0.79 0.02 0.00 0.00 177.57 178.79 2ch0 n TRP 116 N -4.44 0.55 0.00 1.57 7.02 -1.26 -5.02 117.44 115.85 2ch0 n TRP 116 Ca 0.31 -1.38 0.00 0.00 -1.02 0.00 0.00 57.50 55.41 2ch0 n TRP 116 Cb 1.27 -0.34 0.00 0.00 -2.42 0.00 0.00 31.31 29.82 2ch0 n TRP 116 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 2ch0 n GLN 117 N -1.10 0.00 -4.21 -0.99 6.02 -0.03 -4.90 117.38 112.17 2ch0 n GLN 117 Ca 0.24 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 57.11 2ch0 n GLN 117 Cb 0.84 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 32.00 2ch0 n GLN 117 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2ch0 s GLY 118 N -0.01 1.41 0.17 1.08 0.00 -1.26 -4.72 107.32 103.99 2ch0 s GLY 118 Ca 0.00 -1.69 -0.19 0.00 0.00 0.00 0.00 44.72 42.84 2ch0 s GLY 118 CO 0.00 -1.42 0.54 1.62 0.00 0.00 0.00 173.10 173.83 2ch0 s GLN 119 N -4.12 1.30 0.31 2.90 0.74 -1.26 -4.94 119.66 114.59 2ch0 s GLN 119 Ca 0.36 -0.69 0.06 0.00 0.05 0.00 0.00 55.36 55.15 2ch0 s GLN 119 Cb 0.07 0.54 -0.02 0.00 1.10 0.00 0.00 33.01 34.70 2ch0 s GLN 119 CO 0.10 -0.55 0.23 0.00 -0.55 0.00 0.00 175.29 174.52 2ch0 n ALA 120 N -0.34 0.62 -1.23 1.58 0.00 -1.26 -5.07 120.51 114.82 2ch0 n ALA 120 Ca -0.14 -1.76 -0.36 0.00 0.00 0.00 0.00 53.44 51.18 2ch0 n ALA 120 Cb 0.63 1.38 -0.02 0.00 0.00 0.00 0.00 19.45 21.45 2ch0 n ALA 120 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2ch0 n PHE 121 N -0.61 2.31 -3.64 0.00 3.72 -1.26 -4.73 117.46 113.25 2ch0 n PHE 121 Ca 0.05 -2.72 -0.06 0.00 -0.05 0.00 0.00 57.45 54.67 2ch0 n PHE 121 Cb 0.54 -2.26 -0.07 0.00 -0.94 0.00 0.00 39.48 36.76 2ch0 n PHE 121 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 2ch0 s HIS 122 N 2.82 -0.87 -0.24 1.38 2.46 -1.26 -5.07 115.29 114.52 2ch0 s HIS 122 Ca 0.58 1.75 0.16 0.00 0.47 0.00 0.00 55.06 58.02 2ch0 s HIS 122 Cb 0.15 0.51 0.46 0.00 -0.13 0.00 0.00 32.58 33.58 2ch0 s HIS 122 CO -0.05 -0.43 1.36 -0.11 -2.47 0.00 0.00 174.74 173.04 2ch0 n LEU 123 N 3.98 3.53 -1.89 8.88 7.94 -1.26 -4.97 117.00 133.22 2ch0 n LEU 123 Ca -0.19 -2.91 -0.04 0.00 -1.11 0.00 0.00 56.01 51.75 2ch0 n LEU 123 Cb 0.58 -0.49 0.02 0.00 0.53 0.00 0.00 43.42 44.07 2ch0 n LEU 123 CO -0.00 0.68 0.01 0.47 -1.11 0.00 0.00 177.39 177.44 2ch0 n ASP 124 N -0.55 -2.96 -3.67 1.96 8.00 -1.26 -4.98 116.55 113.09 2ch0 n ASP 124 Ca 0.19 -0.18 -0.41 0.00 0.71 0.00 0.00 54.79 55.10 2ch0 n ASP 124 Cb 0.80 -1.75 0.00 0.00 -0.02 0.00 0.00 41.12 40.15 2ch0 n ASP 124 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2ch0 n ARG 125 N -1.93 4.21 -3.70 -1.24 1.74 -1.26 -4.84 116.66 109.63 2ch0 n ARG 125 Ca -0.03 -3.58 -0.12 0.00 -0.77 0.00 0.00 57.85 53.35 2ch0 n ARG 125 Cb 0.53 -2.74 -0.12 0.00 -1.02 0.00 0.00 32.46 29.11 2ch0 n ARG 125 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2ch0 s ARG 126 N -0.69 0.27 0.00 5.56 6.06 -1.26 -5.02 118.95 123.87 2ch0 s ARG 126 Ca 0.46 0.68 0.00 0.00 -2.50 0.00 0.00 55.73 54.37 2ch0 s ARG 126 Cb 0.14 -0.05 0.00 0.00 0.06 0.00 0.00 34.95 35.10 2ch0 s ARG 126 CO -0.04 -0.18 0.00 -0.11 -2.50 0.00 0.00 175.30 172.46 2ch0 n LEU 127 N 4.48 0.00 -4.56 -0.88 -0.00 -1.26 -4.90 117.00 109.87 2ch0 n LEU 127 Ca -0.21 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.52 2ch0 n LEU 127 Cb 0.53 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.90 2ch0 n LEU 127 CO 0.10 0.00 1.39 -0.70 -0.00 0.00 0.00 177.39 178.18 2ch0 s GLU 128 N 0.00 2.61 -0.54 1.96 2.56 -1.26 -4.95 118.70 119.07 2ch0 s GLU 128 Ca 0.00 -0.53 -0.06 0.00 0.00 0.00 0.00 54.97 54.38 2ch0 s GLU 128 Cb 0.00 -5.12 0.14 0.00 2.00 0.00 0.00 34.13 31.15 2ch0 s GLU 128 CO 0.00 -3.44 0.38 1.03 -0.56 0.00 0.00 175.26 172.68 2ch0 s ARG 129 N 6.77 2.50 -1.31 4.30 1.81 -1.26 -5.03 118.95 126.73 2ch0 s ARG 129 Ca 0.68 -2.10 -0.16 0.00 -1.72 0.00 0.00 55.73 52.44 2ch0 s ARG 129 Cb -0.05 -3.83 -0.00 0.00 -0.45 0.00 0.00 34.95 30.62 2ch0 s ARG 129 CO 0.02 -1.17 2.15 -0.35 -0.68 0.00 0.00 175.30 175.27 2ch0 n PRO 130 N 4.28 2.58 -0.72 3.54 -0.04 -1.26 -4.87 135.00 138.50 2ch0 n PRO 130 Ca 0.01 -2.47 -0.17 0.00 -0.04 0.00 0.00 63.50 60.83 2ch0 n PRO 130 Cb 0.41 -3.23 -0.05 0.00 -0.04 0.00 0.00 33.50 30.59 2ch0 n PRO 130 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2ch0 n HIS 131 N 6.55 0.85 -3.31 0.54 -0.00 -1.26 -4.83 115.22 113.75 2ch0 n HIS 131 Ca 0.51 -1.59 -0.47 0.00 0.46 0.00 0.00 57.72 56.64 2ch0 n HIS 131 Cb 0.40 -1.49 -0.02 0.00 -0.12 0.00 0.00 29.99 28.76 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 2.65 3.71 0.00 1.57 6.06 -1.26 -5.34 118.95 126.33 2ch0 s ARG 132 Ca 0.42 -2.57 0.00 0.00 -2.50 0.00 0.00 55.73 51.08 2ch0 s ARG 132 Cb 0.15 -4.47 0.00 0.00 0.06 0.00 0.00 34.95 30.68 2ch0 s ARG 132 CO -0.02 -1.30 0.00 -0.25 -2.50 0.00 0.00 175.30 171.22