#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 -0.55 0.92 1.61 0.15 -1.26 -5.19 113.70 109.38 2ch0 s SER 2 Ca 0.00 0.87 -0.15 0.00 0.70 0.00 0.00 55.95 57.37 2ch0 s SER 2 Cb 0.00 0.87 0.16 0.00 -1.71 0.00 0.00 66.02 65.34 2ch0 s SER 2 CO 0.00 -0.35 1.26 -2.84 1.20 0.00 0.00 173.24 172.52 2ch0 s PRO 3 N -0.36 1.04 0.10 5.44 0.02 -1.26 -5.04 135.00 134.95 2ch0 s PRO 3 Ca -0.05 -0.20 0.20 0.00 0.02 0.00 0.00 61.00 60.96 2ch0 s PRO 3 Cb -0.03 -1.87 -0.10 0.00 0.02 0.00 0.00 34.50 32.51 2ch0 s PRO 3 CO 0.04 -2.18 0.85 0.39 -0.33 0.00 0.00 177.00 175.77 2ch0 n GLU 4 N -3.65 0.62 -1.35 5.54 -0.58 -1.26 -5.01 120.64 114.95 2ch0 n GLU 4 Ca 0.12 0.13 -0.12 0.00 -0.42 0.00 0.00 57.16 56.87 2ch0 n GLU 4 Cb 0.60 -1.78 -0.05 0.00 -0.57 0.00 0.00 31.44 29.64 2ch0 n GLU 4 CO 0.00 0.00 0.00 1.97 -0.48 0.00 0.00 177.13 178.62 2ch0 n PHE 5 N -2.73 0.00 -0.28 -0.32 -1.74 -1.26 -4.91 117.46 106.22 2ch0 n PHE 5 Ca -0.06 0.00 -0.03 0.00 -0.56 0.00 0.00 57.45 56.80 2ch0 n PHE 5 Cb 0.70 -2.70 -0.04 0.00 1.52 0.00 0.00 39.48 38.96 2ch0 n PHE 5 CO 0.00 0.00 0.00 2.89 -0.56 0.00 0.00 176.76 179.09 2ch0 n ARG 6 N -1.28 0.56 -0.03 3.97 1.85 -1.26 -4.77 116.66 115.70 2ch0 n ARG 6 Ca -0.12 -0.23 0.00 0.00 -1.00 0.00 0.00 57.85 56.50 2ch0 n ARG 6 Cb 0.56 -1.57 0.00 0.00 -1.05 0.00 0.00 32.46 30.40 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 2.56 -0.23 0.35 2.89 4.27 -1.26 -5.04 117.44 120.97 2ch0 n TRP 7 Ca 0.10 0.00 -0.18 0.00 -3.89 0.00 0.00 57.50 53.53 2ch0 n TRP 7 Cb 0.26 0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 30.12 2ch0 n TRP 7 CO 0.00 0.00 0.00 1.15 -2.29 0.00 0.00 177.69 176.55 2ch0 h THR 8 N -0.04 0.18 0.00 -1.67 2.02 -2.04 -3.35 112.91 108.01 2ch0 h THR 8 Ca 0.00 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.07 2ch0 h THR 8 Cb 0.00 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.57 2ch0 h THR 8 CO 0.00 0.00 -0.52 0.11 0.37 0.00 0.00 175.52 175.48 2ch0 h LYS 9 N -0.97 0.00 0.00 6.66 1.57 -1.98 -3.21 116.57 118.64 2ch0 h LYS 9 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2ch0 h LYS 9 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.11 2ch0 h LYS 9 CO 0.06 0.52 0.10 1.49 -0.57 0.00 0.00 179.45 181.05 2ch0 h GLU 10 N 0.00 0.00 0.00 3.15 4.81 -1.86 -1.56 114.58 119.12 2ch0 h GLU 10 Ca -0.01 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 2ch0 h GLU 10 Cb 0.98 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 2ch0 h GLU 10 CO 0.07 0.00 -0.20 0.93 -0.73 0.00 0.00 179.01 179.08 2ch0 h GLU 11 N 0.00 0.00 -0.09 1.92 5.08 -1.73 -0.42 114.58 119.34 2ch0 h GLU 11 Ca 0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 2ch0 h GLU 11 Cb 0.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2ch0 h GLU 11 CO 0.00 0.20 -0.70 1.05 -1.00 0.00 0.00 179.01 178.56 2ch0 h GLU 12 N 0.00 0.41 -0.06 2.33 4.11 -1.54 -0.31 114.58 119.53 2ch0 h GLU 12 Ca -0.00 -0.32 -0.07 0.00 0.07 0.00 0.00 59.36 59.04 2ch0 h GLU 12 Cb 0.38 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2ch0 h GLU 12 CO 0.03 0.95 -0.24 0.93 0.07 0.00 0.00 179.01 180.75 2ch0 h GLU 13 N 0.28 0.26 0.12 1.06 4.39 -1.69 -3.38 114.58 115.62 2ch0 h GLU 13 Ca -0.02 -0.21 -0.27 0.00 0.34 0.00 0.00 59.36 59.19 2ch0 h GLU 13 Cb 1.27 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.97 2ch0 h GLU 13 CO 0.12 0.85 -1.20 1.79 -1.16 0.00 0.00 179.01 179.40 2ch0 h THR 14 N -0.27 1.42 0.00 1.13 1.35 -1.17 -3.47 112.91 111.91 2ch0 h THR 14 Ca -0.01 -2.80 0.00 0.00 -0.55 0.00 0.00 66.41 63.05 2ch0 h THR 14 Cb 0.89 2.81 0.00 0.00 -1.73 0.00 0.00 68.15 70.11 2ch0 h THR 14 CO 0.05 0.83 0.00 -1.14 -0.25 0.00 0.00 175.52 175.01 2ch0 n ARG 15 N -3.64 0.00 -0.01 4.72 3.00 -0.13 -2.12 116.66 118.49 2ch0 n ARG 15 Ca -0.10 0.00 0.13 0.00 -0.00 0.00 0.00 57.85 57.89 2ch0 n ARG 15 Cb 0.99 0.00 0.68 0.00 0.00 0.00 0.00 32.46 34.12 2ch0 n ARG 15 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 2ch0 n GLN 16 N 0.00 1.27 0.00 -0.14 1.13 -1.26 -3.49 117.38 114.89 2ch0 n GLN 16 Ca 0.00 -0.39 -0.08 0.00 -1.94 0.00 0.00 57.00 54.59 2ch0 n GLN 16 Cb 0.00 -1.43 0.08 0.00 0.11 0.00 0.00 30.24 28.99 2ch0 n GLN 16 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2ch0 h MET 17 N 0.89 0.55 0.00 -1.09 -0.00 -1.76 -3.25 114.93 110.27 2ch0 h MET 17 Ca 0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 59.70 59.38 2ch0 h MET 17 Cb 0.19 0.02 0.00 0.00 -0.00 0.00 0.00 31.60 31.82 2ch0 h MET 17 CO 0.00 0.92 0.00 1.88 -0.00 0.00 0.00 176.91 179.71 2ch0 h TYR 18 N 0.44 0.00 0.00 -0.10 0.05 -1.84 -1.37 116.97 114.15 2ch0 h TYR 18 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.80 2ch0 h TYR 18 Cb 1.01 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.75 2ch0 h TYR 18 CO 0.04 0.00 0.00 -0.25 -1.05 0.00 0.00 178.16 176.90 2ch0 n ASP 19 N -2.68 0.00 0.08 3.88 8.00 -1.23 -4.80 116.55 119.81 2ch0 n ASP 19 Ca -0.01 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.38 2ch0 n ASP 19 Cb 0.12 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.16 2ch0 n ASP 19 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ch0 h MET 20 N 0.00 0.24 -0.02 -1.24 -0.00 -1.66 -3.40 114.93 108.86 2ch0 h MET 20 Ca 0.00 -0.31 -0.09 0.00 -0.00 0.00 0.00 59.70 59.30 2ch0 h MET 20 Cb 0.00 0.10 -0.01 0.00 -0.00 0.00 0.00 31.60 31.69 2ch0 h MET 20 CO 0.00 1.06 -0.42 -0.39 -0.00 0.00 0.00 176.91 177.16 2ch0 h VAL 21 N 0.11 1.31 -0.93 -0.10 -1.51 -1.48 -3.29 116.25 110.37 2ch0 h VAL 21 Ca -0.07 -1.46 0.20 0.00 -1.23 0.00 0.00 66.70 64.13 2ch0 h VAL 21 Cb 1.66 1.77 -0.07 0.00 -2.13 0.00 0.00 31.29 32.51 2ch0 h VAL 21 CO 0.16 0.42 0.60 1.62 -1.23 0.00 0.00 177.57 179.14 2ch0 h VAL 22 N 0.03 0.69 -0.03 7.19 3.04 -1.77 0.41 116.25 125.82 2ch0 h VAL 22 Ca -0.00 -0.17 -0.16 0.00 -1.01 0.00 0.00 66.70 65.36 2ch0 h VAL 22 Cb 0.76 0.16 -0.02 0.00 -2.01 0.00 0.00 31.29 30.18 2ch0 h VAL 22 CO 0.06 0.09 -0.69 0.07 -1.01 0.00 0.00 177.57 176.09 2ch0 h LYS 23 N 0.49 0.14 0.02 4.17 2.10 -1.86 -2.74 116.57 118.89 2ch0 h LYS 23 Ca 0.49 -0.11 -0.24 0.00 -2.00 0.00 0.00 60.65 58.79 2ch0 h LYS 23 Cb 1.10 0.02 0.02 0.00 -0.90 0.00 0.00 32.23 32.47 2ch0 h LYS 23 CO -0.22 0.77 -0.96 0.82 -2.00 0.00 0.00 179.45 177.87 2ch0 h ILE 24 N 0.09 1.32 -0.03 0.07 2.04 -1.20 -1.72 117.51 118.09 2ch0 h ILE 24 Ca -0.01 -2.24 -0.09 0.00 1.00 0.00 0.00 64.86 63.52 2ch0 h ILE 24 Cb 1.23 2.49 -0.01 0.00 -0.74 0.00 0.00 36.82 39.79 2ch0 h ILE 24 CO 0.10 0.68 -0.41 0.16 0.00 0.00 0.00 178.15 178.68 2ch0 h ILE 25 N 0.24 1.30 -0.13 -0.67 3.07 -0.39 -2.41 117.51 118.53 2ch0 h ILE 25 Ca -0.13 -1.43 -0.12 0.00 1.55 0.00 0.00 64.86 64.74 2ch0 h ILE 25 Cb 1.63 1.73 -0.01 0.00 -0.27 0.00 0.00 36.82 39.90 2ch0 h ILE 25 CO 0.19 0.41 -0.43 0.44 -1.05 0.00 0.00 178.15 177.71 2ch0 h ASP 26 N 0.05 0.32 -0.65 2.16 3.32 -1.51 -2.71 116.42 117.40 2ch0 h ASP 26 Ca 0.00 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 56.87 2ch0 h ASP 26 Cb 0.74 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.17 2ch0 h ASP 26 CO 0.05 0.71 0.22 -0.37 -1.72 0.00 0.00 179.24 178.14 2ch0 h VAL 27 N 0.25 1.25 -0.15 -1.35 -1.51 -0.82 -3.21 116.25 110.71 2ch0 h VAL 27 Ca 0.02 -0.82 -0.00 0.00 -1.23 0.00 0.00 66.70 64.67 2ch0 h VAL 27 Cb 0.86 0.56 -0.01 0.00 -2.13 0.00 0.00 31.29 30.58 2ch0 h VAL 27 CO 0.07 0.32 0.09 -0.07 -1.23 0.00 0.00 177.57 176.74 2ch0 h LEU 28 N 0.92 0.18 -1.91 4.19 4.07 -1.44 -3.02 115.31 118.30 2ch0 h LEU 28 Ca 0.21 -0.05 0.15 0.00 0.08 0.00 0.00 57.88 58.27 2ch0 h LEU 28 Cb 0.27 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 41.94 2ch0 h LEU 28 CO -0.01 0.17 0.53 -0.09 -1.08 0.00 0.00 178.44 177.97 2ch0 h ARG 29 N 0.16 0.00 0.05 1.13 9.65 -1.55 -2.97 114.38 120.85 2ch0 h ARG 29 Ca 0.05 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.93 2ch0 h ARG 29 Cb 0.03 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.61 2ch0 h ARG 29 CO -0.01 0.00 -0.02 0.66 2.80 0.00 0.00 179.97 183.40 2ch0 h SER 30 N 0.00 -0.06 0.74 -3.80 4.64 -1.52 -1.28 113.55 112.27 2ch0 h SER 30 Ca 0.25 -0.60 -0.20 0.00 -0.47 0.00 0.00 61.79 60.77 2ch0 h SER 30 Cb 1.31 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.40 2ch0 h SER 30 CO -0.00 0.67 -0.91 1.12 -0.87 0.00 0.00 176.83 176.84 2ch0 h HIS 31 N -0.88 0.16 -0.29 4.77 -0.00 -1.68 -3.32 115.15 113.93 2ch0 h HIS 31 Ca -0.01 -0.10 -0.04 0.00 -0.00 0.00 0.00 60.37 60.23 2ch0 h HIS 31 Cb 0.66 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 28.04 2ch0 h HIS 31 CO 0.16 0.95 0.01 -0.91 -0.00 0.00 0.00 177.93 178.13 2ch0 h ASN 32 N 0.05 0.40 0.20 3.10 2.35 -1.61 0.13 115.58 120.20 2ch0 h ASN 32 Ca -0.03 -0.06 -0.16 0.00 -0.55 0.00 0.00 56.30 55.49 2ch0 h ASN 32 Cb 1.56 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.82 2ch0 h ASN 32 CO 0.13 0.46 -0.62 1.05 -1.65 0.00 0.00 177.43 176.80 2ch0 h GLU 33 N 0.42 0.41 0.00 0.81 4.11 -1.32 -3.13 114.58 115.88 2ch0 h GLU 33 Ca 0.09 -0.29 -0.08 0.00 0.07 0.00 0.00 59.36 59.16 2ch0 h GLU 33 Cb 0.27 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2ch0 h GLU 33 CO 0.01 0.90 -0.39 0.00 0.07 0.00 0.00 179.01 179.60 2ch0 h ALA 34 N 1.03 0.91 -0.49 1.06 0.00 -1.63 -3.36 119.26 116.78 2ch0 h ALA 34 Ca -0.01 -0.35 0.11 0.00 0.00 0.00 0.00 54.91 54.66 2ch0 h ALA 34 Cb 1.15 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 2ch0 h ALA 34 CO 0.11 0.48 0.34 0.00 0.00 0.00 0.00 179.25 180.18 2ch0 n GLN 36 N -4.45 0.00 0.00 0.00 -0.00 -1.26 -2.98 117.38 108.70 2ch0 n GLN 36 Ca 0.08 0.31 0.00 0.00 -0.00 0.00 0.00 57.00 57.39 2ch0 n GLN 36 Cb 0.43 -1.68 0.00 0.00 -0.00 0.00 0.00 30.24 28.98 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 -1.30 0.00 -4.00 2.61 4.07 -1.01 -4.96 120.64 116.05 2ch0 n GLU 37 Ca 0.00 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 56.79 2ch0 n GLU 37 Cb 0.18 -0.42 -0.15 0.00 -0.06 0.00 0.00 31.44 30.99 2ch0 n GLU 37 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 2ch0 s ASN 38 N -4.65 4.54 0.13 4.31 -0.87 -1.11 -4.83 114.94 112.46 2ch0 s ASN 38 Ca 0.00 -1.83 -0.02 0.00 -1.57 0.00 0.00 52.86 49.44 2ch0 s ASN 38 Cb 0.00 -1.50 0.25 0.00 -0.02 0.00 0.00 41.25 39.98 2ch0 s ASN 38 CO 0.00 -0.32 0.67 2.29 -2.57 0.00 0.00 177.10 177.17 2ch0 n LYS 39 N 4.39 -0.04 -3.12 -0.60 -0.00 -1.22 -1.90 118.16 115.67 2ch0 n LYS 39 Ca -0.02 0.66 -0.10 0.00 -0.00 0.00 0.00 58.31 58.85 2ch0 n LYS 39 Cb 0.42 -1.01 -0.03 0.00 -0.00 0.00 0.00 35.03 34.41 2ch0 n LYS 39 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2ch0 s ASP 40 N -5.07 -0.39 0.55 -5.58 2.15 -1.26 -1.42 116.67 105.65 2ch0 s ASP 40 Ca -0.06 -1.68 0.30 0.00 0.43 0.00 0.00 52.55 51.55 2ch0 s ASP 40 Cb 0.12 1.23 1.58 0.00 -0.30 0.00 0.00 42.92 45.55 2ch0 s ASP 40 CO 0.33 -0.15 2.11 0.17 -0.17 0.00 0.00 175.17 177.46 2ch0 h LEU 41 N 6.09 0.00 -3.40 -1.34 -0.00 -1.71 -3.20 115.31 111.75 2ch0 h LEU 41 Ca 0.09 0.00 -0.35 0.00 -0.00 0.00 0.00 57.88 57.62 2ch0 h LEU 41 Cb 1.08 0.00 -0.16 0.00 -0.00 0.00 0.00 40.66 41.58 2ch0 h LEU 41 CO 0.13 0.08 0.45 0.00 -0.00 0.00 0.00 178.44 179.10 2ch0 n GLN 42 N -3.51 1.85 -0.19 0.17 6.02 -1.26 -5.02 117.38 115.44 2ch0 n GLN 42 Ca -0.02 -1.76 0.26 0.00 -0.01 0.00 0.00 57.00 55.47 2ch0 n GLN 42 Cb 0.22 -1.69 0.40 0.00 1.02 0.00 0.00 30.24 30.19 2ch0 n GLN 42 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 2ch0 n PRO 43 N -0.02 0.01 -3.63 -1.09 -0.02 -1.21 -4.07 135.00 124.96 2ch0 n PRO 43 Ca 0.34 1.00 -0.11 0.00 -2.02 0.00 0.00 63.50 62.71 2ch0 n PRO 43 Cb 0.77 -2.50 -0.07 0.00 -0.02 0.00 0.00 33.50 31.69 2ch0 n PRO 43 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 2ch0 s TYR 44 N -4.37 -0.75 0.00 6.00 2.02 -1.26 -4.63 117.35 114.35 2ch0 s TYR 44 Ca -0.02 1.76 0.05 0.00 -0.37 0.00 0.00 57.07 58.48 2ch0 s TYR 44 Cb 0.13 0.35 -0.01 0.00 -0.40 0.00 0.00 41.96 42.03 2ch0 s TYR 44 CO 0.44 -0.37 -0.15 -1.64 -1.57 0.00 0.00 175.55 172.26 2ch0 s MET 45 N 0.59 1.14 1.08 -0.62 -1.94 -0.09 -5.02 119.30 114.44 2ch0 s MET 45 Ca -0.01 -0.61 -0.16 0.00 -1.71 0.00 0.00 55.69 53.19 2ch0 s MET 45 Cb -0.05 -1.13 0.23 0.00 2.01 0.00 0.00 34.83 35.89 2ch0 s MET 45 CO -0.05 0.30 1.15 -1.25 -0.01 0.00 0.00 175.02 175.17 2ch0 s PRO 46 N -0.59 -0.25 0.08 2.03 0.04 -1.26 -0.95 135.00 134.09 2ch0 s PRO 46 Ca 0.05 0.01 -0.29 0.00 0.04 0.00 0.00 61.00 60.81 2ch0 s PRO 46 Cb -0.06 -1.70 -0.17 0.00 0.04 0.00 0.00 34.50 32.60 2ch0 s PRO 46 CO 0.00 -3.08 1.66 0.82 0.04 0.00 0.00 177.00 176.44 2ch0 h ILE 47 N -2.13 0.62 0.00 0.56 1.08 -1.95 -1.01 117.51 114.68 2ch0 h ILE 47 Ca -0.47 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 63.98 2ch0 h ILE 47 Cb 1.29 0.63 0.00 0.00 -3.07 0.00 0.00 36.82 35.67 2ch0 h ILE 47 CO 0.43 0.00 0.38 1.55 -0.69 0.00 0.00 178.15 179.83 2ch0 h PRO 48 N -0.53 0.00 -0.03 2.37 0.13 -1.94 -1.59 132.00 130.40 2ch0 h PRO 48 Ca -0.05 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.01 2ch0 h PRO 48 Cb 0.41 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.54 2ch0 h PRO 48 CO 0.09 0.00 -0.25 1.25 -0.23 0.00 0.00 178.00 178.86 2ch0 h HIS 49 N 0.00 0.31 -0.35 1.56 2.76 -1.51 1.13 115.15 119.06 2ch0 h HIS 49 Ca 0.00 -0.15 0.01 0.00 -2.20 0.00 0.00 60.37 58.03 2ch0 h HIS 49 Cb 0.77 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.66 2ch0 h HIS 49 CO 0.00 0.90 0.23 0.28 -1.30 0.00 0.00 177.93 178.04 2ch0 h VAL 50 N -0.36 1.08 0.24 5.26 2.07 -1.54 -3.02 116.25 119.97 2ch0 h VAL 50 Ca -0.02 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 2ch0 h VAL 50 Cb 0.94 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2ch0 h VAL 50 CO 0.05 0.08 -0.12 -0.09 0.02 0.00 0.00 177.57 177.52 2ch0 h ARG 51 N 0.45 -0.31 0.00 1.57 9.65 -1.30 -3.37 114.38 121.07 2ch0 h ARG 51 Ca 0.13 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.03 2ch0 h ARG 51 Cb -0.03 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.63 2ch0 h ARG 51 CO -0.03 0.06 0.15 -3.47 2.80 0.00 0.00 179.97 179.48 2ch0 n ASP 52 N -5.03 0.18 0.06 -3.80 2.03 0.39 -1.34 116.55 109.04 2ch0 n ASP 52 Ca -0.08 0.48 0.11 0.00 0.52 0.00 0.00 54.79 55.82 2ch0 n ASP 52 Cb 0.26 -0.48 0.01 0.00 -0.72 0.00 0.00 41.12 40.19 2ch0 n ASP 52 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2ch0 n SER 53 N -1.69 0.65 0.23 1.67 7.64 -1.22 -4.38 113.62 116.51 2ch0 n SER 53 Ca -0.00 0.09 0.09 0.00 1.01 0.00 0.00 58.87 60.06 2ch0 n SER 53 Cb 0.16 0.72 0.54 0.00 -1.01 0.00 0.00 64.21 64.62 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 -7.59 -3.43 -0.00 -1.39 -3.42 115.31 99.48 2ch0 h LEU 54 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.80 2ch0 h LEU 54 Cb 0.88 0.00 -0.15 0.00 -0.00 0.00 0.00 40.66 41.39 2ch0 h LEU 54 CO 0.00 0.23 -0.24 -0.63 -0.00 0.00 0.00 178.44 177.80 2ch0 s ILE 55 N -4.04 0.10 -0.20 0.15 -1.09 -1.26 -4.88 121.20 109.98 2ch0 s ILE 55 Ca -0.02 -0.80 -0.19 0.00 -2.23 0.00 0.00 60.65 57.42 2ch0 s ILE 55 Cb 0.13 -1.10 -0.20 0.00 -1.58 0.00 0.00 42.46 39.71 2ch0 s ILE 55 CO 0.64 -0.44 0.21 0.00 -1.23 0.00 0.00 174.94 174.12 2ch0 n GLN 56 N 0.22 0.60 0.00 2.79 3.00 -1.26 -4.61 117.38 118.13 2ch0 n GLN 56 Ca -0.17 0.51 0.00 0.00 -0.01 0.00 0.00 57.00 57.33 2ch0 n GLN 56 Cb 0.61 -1.73 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 -4.26 0.00 0.15 -1.09 -0.04 -1.26 -4.79 135.00 123.70 2ch0 n PRO 57 Ca -0.33 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.14 2ch0 n PRO 57 Cb 0.76 0.00 0.17 0.00 -0.04 0.00 0.00 33.50 34.38 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 0.00 0.54 -0.00 -2.00 -3.23 115.15 110.46 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 0.56 0.00 -0.25 -0.00 0.00 0.00 177.93 178.24 2ch0 n ASP 59 N -3.52 0.00 0.19 3.26 8.00 -1.26 -4.27 116.55 118.95 2ch0 n ASP 59 Ca -0.00 -0.99 -0.17 0.00 0.71 0.00 0.00 54.79 54.34 2ch0 n ASP 59 Cb 0.65 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.65 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 0.00 -0.82 -0.13 -1.24 -0.00 -1.81 -3.11 114.38 107.28 2ch0 h ARG 60 Ca 0.00 0.06 0.04 0.00 -0.00 0.00 0.00 59.98 60.07 2ch0 h ARG 60 Cb 0.00 0.19 -0.01 0.00 -0.00 0.00 0.00 29.97 30.15 2ch0 h ARG 60 CO 0.00 -0.54 0.14 -0.22 -0.00 0.00 0.00 179.97 179.34 2ch0 h LYS 61 N -0.85 0.00 -0.33 0.08 3.11 -1.87 -2.03 116.57 114.68 2ch0 h LYS 61 Ca -0.03 0.00 0.09 0.00 -2.81 0.00 0.00 60.65 57.91 2ch0 h LYS 61 Cb 0.80 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.02 2ch0 h LYS 61 CO -0.19 0.00 0.34 -0.22 -2.81 0.00 0.00 179.45 176.57 2ch0 h LYS 62 N 0.00 0.00 -0.03 1.90 3.64 -1.83 -1.82 116.57 118.42 2ch0 h LYS 62 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2ch0 h LYS 62 Cb 0.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 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 -3.81 0.73 -0.03 1.90 2.81 -0.77 -4.43 117.12 113.53 2ch0 n MET 63 Ca 0.05 -1.24 -0.17 0.00 -1.81 0.00 0.00 57.70 54.53 2ch0 n MET 63 Cb 0.50 -1.22 -0.07 0.00 -0.71 0.00 0.00 33.22 31.71 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 2.25 0.75 0.00 0.03 3.64 -1.31 -2.94 116.57 119.01 2ch0 h LYS 64 Ca 0.00 -0.59 -0.11 0.00 -1.27 0.00 0.00 60.65 58.68 2ch0 h LYS 64 Cb 0.50 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 2ch0 h LYS 64 CO 0.00 1.21 -0.51 0.87 -2.27 0.00 0.00 179.45 178.75 2ch0 h LYS 65 N 0.47 0.00 -0.00 1.90 1.79 -1.70 -3.08 116.57 115.96 2ch0 h LYS 65 Ca -0.04 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.26 2ch0 h LYS 65 Cb 1.32 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.95 2ch0 h LYS 65 CO 0.14 0.51 -0.79 -0.24 -1.08 0.00 0.00 179.45 177.99 2ch0 h VAL 66 N 0.00 1.53 -0.90 0.50 3.04 -1.77 -3.30 116.25 115.35 2ch0 h VAL 66 Ca -0.01 -2.62 0.24 0.00 -1.01 0.00 0.00 66.70 63.30 2ch0 h VAL 66 Cb 0.91 2.42 -0.05 0.00 -2.01 0.00 0.00 31.29 32.56 2ch0 h VAL 66 CO 0.07 0.75 0.62 -0.25 -1.01 0.00 0.00 177.57 177.75 2ch0 h TRP 67 N 0.04 0.26 -0.82 3.17 2.91 -1.41 0.66 115.95 120.75 2ch0 h TRP 67 Ca -0.02 0.01 0.11 0.00 1.13 0.00 0.00 58.89 60.12 2ch0 h TRP 67 Cb 1.40 -0.08 -0.08 0.00 -0.51 0.00 0.00 29.16 29.89 2ch0 h TRP 67 CO 0.01 0.06 0.45 -0.44 -1.03 0.00 0.00 178.44 177.49 2ch0 h ASP 68 N 0.18 0.62 0.03 2.65 3.32 -1.67 0.97 116.42 122.53 2ch0 h ASP 68 Ca 0.45 0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.49 2ch0 h ASP 68 Cb 1.48 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 40.98 2ch0 h ASP 68 CO -0.09 0.33 -0.29 -0.09 -1.72 0.00 0.00 179.24 177.38 2ch0 h ARG 69 N 0.73 0.15 -0.27 3.56 9.65 -1.46 -3.41 114.38 123.34 2ch0 h ARG 69 Ca 0.41 -0.20 -0.02 0.00 -1.10 0.00 0.00 59.98 59.07 2ch0 h ARG 69 Cb 0.43 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.06 2ch0 h ARG 69 CO -0.28 1.01 0.09 0.00 2.80 0.00 0.00 179.97 183.59 2ch0 h ALA 70 N 0.14 1.67 -0.92 2.80 0.00 -0.41 -2.89 119.26 119.65 2ch0 h ALA 70 Ca -0.04 -0.09 0.17 0.00 0.00 0.00 0.00 54.91 54.94 2ch0 h ALA 70 Cb 1.14 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.71 2ch0 h ALA 70 CO 0.06 0.26 0.52 0.28 0.00 0.00 0.00 179.25 180.37 2ch0 h VAL 71 N 0.37 0.72 -0.82 0.00 2.07 -1.04 0.11 116.25 117.66 2ch0 h VAL 71 Ca 0.09 -0.24 0.09 0.00 0.82 0.00 0.00 66.70 67.46 2ch0 h VAL 71 Cb 0.10 -0.04 -0.07 0.00 -1.52 0.00 0.00 31.29 29.77 2ch0 h VAL 71 CO -0.01 0.13 0.48 -0.78 0.02 0.00 0.00 177.57 177.41 2ch0 h ASP 72 N 0.70 0.70 0.13 0.57 3.58 -1.73 0.14 116.42 120.51 2ch0 h ASP 72 Ca 0.52 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 58.00 2ch0 h ASP 72 Cb 0.76 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.71 2ch0 h ASP 72 CO -0.37 0.42 -0.06 -0.26 -2.88 0.00 0.00 179.24 176.08 2ch0 h PHE 73 N 0.82 -0.16 -0.92 0.28 0.04 -1.63 -3.40 116.94 111.97 2ch0 h PHE 73 Ca 0.39 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.15 2ch0 h PHE 73 Cb 0.31 0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.47 2ch0 h PHE 73 CO -0.05 0.09 0.55 1.25 -0.60 0.00 0.00 178.31 179.54 2ch0 h LEU 74 N -1.01 1.12 -0.73 1.54 5.85 -0.74 -3.09 115.31 118.24 2ch0 h LEU 74 Ca -0.02 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2ch0 h LEU 74 Cb 0.32 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2ch0 h LEU 74 CO 0.03 0.86 0.00 0.00 -0.34 0.00 0.00 178.44 178.99 2ch0 n ALA 75 N -2.40 1.08 0.98 1.25 0.00 0.49 -1.40 120.51 120.50 2ch0 n ALA 75 Ca 0.10 0.10 0.14 0.00 0.00 0.00 0.00 53.44 53.78 2ch0 n ALA 75 Cb 0.07 -1.18 0.59 0.00 0.00 0.00 0.00 19.45 18.93 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 -1.65 2.37 -0.81 0.00 0.00 -1.17 -3.67 120.51 115.58 2ch0 n ALA 76 Ca -0.00 -0.10 0.08 0.00 0.00 0.00 0.00 53.44 53.41 2ch0 n ALA 76 Cb 0.03 -1.46 0.17 0.00 0.00 0.00 0.00 19.45 18.19 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 -1.54 2.95 0.00 0.00 5.03 -0.49 -5.09 115.26 116.12 2ch0 n ASN 77 Ca 0.07 -2.81 0.00 0.00 0.87 0.00 0.00 54.58 52.71 2ch0 n ASN 77 Cb 0.35 -0.40 0.00 0.00 -1.02 0.00 0.00 39.78 38.71 2ch0 n ASN 77 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 2ch0 n GLU 78 N -0.76 0.00 -3.15 3.52 2.13 -1.24 -5.04 120.64 116.10 2ch0 n GLU 78 Ca 0.16 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.99 2ch0 n GLU 78 Cb 0.66 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.38 2ch0 n GLU 78 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2ch0 n SER 79 N 2.91 -0.78 0.00 4.31 2.88 -1.26 -4.65 113.62 117.03 2ch0 n SER 79 Ca 0.00 -1.21 0.00 0.00 -1.33 0.00 0.00 58.87 56.33 2ch0 n SER 79 Cb 0.00 1.23 0.00 0.00 -0.75 0.00 0.00 64.21 64.69 2ch0 n SER 79 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2ch0 n ARG 80 N -0.56 0.00 -2.96 -1.46 5.12 -1.26 -5.03 116.66 110.51 2ch0 n ARG 80 Ca 0.02 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.55 2ch0 n ARG 80 Cb 0.36 -0.46 -0.06 0.00 -1.16 0.00 0.00 32.46 31.14 2ch0 n ARG 80 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2ch0 s VAL 81 N -2.00 4.35 0.00 1.55 -7.23 -1.26 -4.67 120.40 111.14 2ch0 s VAL 81 Ca 0.00 1.69 0.08 0.00 -1.81 0.00 0.00 61.98 61.95 2ch0 s VAL 81 Cb 0.00 -4.11 -0.02 0.00 0.56 0.00 0.00 36.38 32.81 2ch0 s VAL 81 CO 0.00 0.45 -0.25 -0.60 -0.31 0.00 0.00 175.10 174.39 2ch0 s ARG 82 N -1.32 2.03 -0.38 4.82 3.52 -0.08 -4.86 118.95 122.68 2ch0 s ARG 82 Ca 0.38 -0.98 -0.28 0.00 -0.13 0.00 0.00 55.73 54.72 2ch0 s ARG 82 Cb -0.22 -2.04 0.02 0.00 -1.56 0.00 0.00 34.95 31.15 2ch0 s ARG 82 CO 0.26 0.55 1.04 0.95 -0.81 0.00 0.00 175.30 177.29 2ch0 s THR 83 N -0.69 4.46 0.06 4.11 -4.23 -1.26 -1.00 115.64 117.08 2ch0 s THR 83 Ca 0.11 1.42 0.07 0.00 -1.18 0.00 0.00 61.69 62.10 2ch0 s THR 83 Cb -0.10 -4.44 -0.04 0.00 1.34 0.00 0.00 72.50 69.27 2ch0 s THR 83 CO 0.00 -0.64 -0.14 -0.70 -0.54 0.00 0.00 174.62 172.60 2ch0 s GLU 84 N 3.79 2.13 -0.43 3.99 2.12 -0.47 -4.90 118.70 124.94 2ch0 s GLU 84 Ca 0.44 -0.97 -0.19 0.00 0.36 0.00 0.00 54.97 54.60 2ch0 s GLU 84 Cb -0.11 -2.26 0.02 0.00 0.26 0.00 0.00 34.13 32.04 2ch0 s GLU 84 CO 0.21 0.54 0.56 0.99 -0.54 0.00 0.00 175.26 177.01 2ch0 s THR 85 N -1.03 4.94 0.01 -1.70 2.01 -1.26 -1.32 115.64 117.30 2ch0 s THR 85 Ca 0.17 -0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.12 2ch0 s THR 85 Cb -0.11 -4.13 -0.01 0.00 0.01 0.00 0.00 72.50 68.26 2ch0 s THR 85 CO 0.08 -0.52 -0.05 -0.60 -0.69 0.00 0.00 174.62 172.85 2ch0 s ARG 86 N 2.54 0.38 -0.19 4.92 6.06 -0.84 -4.92 118.95 126.90 2ch0 s ARG 86 Ca 0.18 -0.38 -0.24 0.00 -2.50 0.00 0.00 55.73 52.80 2ch0 s ARG 86 Cb -0.15 -0.26 -0.02 0.00 0.06 0.00 0.00 34.95 34.58 2ch0 s ARG 86 CO 0.17 0.06 0.78 0.50 -2.50 0.00 0.00 175.30 174.31 2ch0 s ARG 87 N -0.69 4.26 -0.07 5.12 3.52 -1.26 -2.29 118.95 127.54 2ch0 s ARG 87 Ca -0.04 0.91 -0.01 0.00 -0.13 0.00 0.00 55.73 56.47 2ch0 s ARG 87 Cb -0.05 -3.59 0.03 0.00 -1.56 0.00 0.00 34.95 29.78 2ch0 s ARG 87 CO -0.00 -0.34 -0.01 0.96 -0.81 0.00 0.00 175.30 175.10 2ch0 s ILE 88 N 2.21 0.46 -1.57 4.11 -0.00 0.85 -4.80 121.20 122.46 2ch0 s ILE 88 Ca 0.35 0.05 0.00 0.00 -0.00 0.00 0.00 60.65 61.05 2ch0 s ILE 88 Cb -0.16 -0.59 0.00 0.00 -0.00 0.00 0.00 42.46 41.71 2ch0 s ILE 88 CO 0.11 0.26 0.00 0.61 -0.00 0.00 0.00 174.94 175.93 2ch0 n GLY 89 N 4.96 1.18 1.12 6.27 0.00 -1.26 -1.96 105.19 115.49 2ch0 n GLY 89 Ca -0.10 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.07 0.74 3.09 -0.02 0.00 -1.26 -5.08 105.19 101.59 2ch0 n GLY 90 Ca -0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.51 1.23 -0.26 4.61 0.00 -0.83 -5.08 121.76 118.93 2ch0 s ALA 91 Ca 0.00 -0.56 -0.13 0.00 0.00 0.00 0.00 51.96 51.26 2ch0 s ALA 91 Cb 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 2ch0 s ALA 91 CO 0.00 0.24 0.30 0.16 0.00 0.00 0.00 175.76 176.46 2ch0 s ASP 92 N -0.02 6.21 0.34 0.00 -4.77 -1.26 -0.10 116.67 117.06 2ch0 s ASP 92 Ca -0.01 0.23 0.03 0.00 -3.30 0.00 0.00 52.55 49.50 2ch0 s ASP 92 Cb -0.09 -2.18 -0.05 0.00 -1.09 0.00 0.00 42.92 39.52 2ch0 s ASP 92 CO 0.01 -0.09 0.09 -0.36 0.70 0.00 0.00 175.17 175.52 2ch0 s PHE 93 N 1.70 1.81 -0.42 2.11 0.08 -0.97 -4.88 117.98 117.41 2ch0 s PHE 93 Ca 0.13 -1.12 -0.23 0.00 0.12 0.00 0.00 56.93 55.82 2ch0 s PHE 93 Cb -0.15 -1.15 0.02 0.00 -0.57 0.00 0.00 43.02 41.17 2ch0 s PHE 93 CO 0.09 -0.18 0.79 -0.51 -0.10 0.00 0.00 175.22 175.31 2ch0 s LEU 94 N -3.49 4.20 0.08 -0.37 1.43 -1.26 -1.99 118.68 117.28 2ch0 s LEU 94 Ca 0.33 0.05 0.09 0.00 -1.03 0.00 0.00 54.13 53.57 2ch0 s LEU 94 Cb 0.06 -2.99 -0.04 0.00 0.03 0.00 0.00 46.19 43.26 2ch0 s LEU 94 CO 0.15 -0.86 -0.23 0.54 0.23 0.00 0.00 176.35 176.18 2ch0 s VAL 95 N 3.25 2.47 -0.18 -1.59 0.11 -0.43 -4.31 120.40 119.72 2ch0 s VAL 95 Ca 0.31 -1.47 -0.09 0.00 -2.93 0.00 0.00 61.98 57.80 2ch0 s VAL 95 Cb -0.12 -2.06 -0.05 0.00 -1.53 0.00 0.00 36.38 32.63 2ch0 s VAL 95 CO 0.21 0.23 0.12 0.26 -3.33 0.00 0.00 175.10 172.59 2ch0 s TRP 96 N -0.97 3.42 0.04 1.54 0.51 -0.13 -1.36 118.94 121.98 2ch0 s TRP 96 Ca 0.14 0.33 -0.09 0.00 -2.12 0.00 0.00 56.10 54.36 2ch0 s TRP 96 Cb -0.10 -2.09 0.00 0.00 -0.81 0.00 0.00 33.47 30.47 2ch0 s TRP 96 CO 0.06 0.36 0.18 -0.98 -0.51 0.00 0.00 176.95 176.06 2ch0 s ARG 97 N 0.05 0.67 0.09 4.98 1.70 -0.17 -0.92 118.95 125.35 2ch0 s ARG 97 Ca 0.09 -0.64 0.09 0.00 -0.47 0.00 0.00 55.73 54.79 2ch0 s ARG 97 Cb -0.11 0.28 -0.03 0.00 -0.57 0.00 0.00 34.95 34.51 2ch0 s ARG 97 CO -0.00 -0.19 -0.22 1.67 -1.08 0.00 0.00 175.30 175.47 2ch0 s TRP 98 N -2.54 1.93 -0.26 5.89 -0.00 -1.26 -0.90 118.94 121.80 2ch0 s TRP 98 Ca -0.05 -0.40 -0.09 0.00 -0.00 0.00 0.00 56.10 55.55 2ch0 s TRP 98 Cb -0.01 -1.08 -0.04 0.00 -0.00 0.00 0.00 33.47 32.34 2ch0 s TRP 98 CO -0.04 0.20 0.13 0.96 -0.00 0.00 0.00 176.95 178.21 2ch0 s ILE 99 N -1.05 4.94 -0.49 0.66 -0.00 -1.26 -4.65 121.20 119.35 2ch0 s ILE 99 Ca 0.08 0.04 -0.17 0.00 -0.00 0.00 0.00 60.65 60.60 2ch0 s ILE 99 Cb -0.10 -3.32 0.07 0.00 -0.00 0.00 0.00 42.46 39.11 2ch0 s ILE 99 CO 0.04 0.31 0.50 -1.58 -0.00 0.00 0.00 174.94 174.21 2ch0 s GLN 100 N 1.48 3.04 0.16 0.37 -0.44 -0.51 -5.03 119.66 118.73 2ch0 s GLN 100 Ca 0.06 -1.18 -0.30 0.00 -2.50 0.00 0.00 55.36 51.44 2ch0 s GLN 100 Cb -0.15 -4.13 -0.07 0.00 -1.64 0.00 0.00 33.01 27.02 2ch0 s GLN 100 CO 0.07 -1.13 1.10 -2.14 0.50 0.00 0.00 175.29 173.68 2ch0 s PRO 101 N 2.06 4.58 -0.13 1.67 0.02 -1.26 -4.31 135.00 137.64 2ch0 s PRO 101 Ca 0.09 1.71 -0.00 0.00 0.02 0.00 0.00 61.00 62.81 2ch0 s PRO 101 Cb -0.22 -3.29 0.00 0.00 0.02 0.00 0.00 34.50 31.01 2ch0 s PRO 101 CO 0.09 0.05 0.11 0.45 -0.33 0.00 0.00 177.00 177.37 2ch0 n SER 102 N 2.53 -2.18 -0.03 2.53 2.88 -1.26 -5.05 113.62 113.04 2ch0 n SER 102 Ca 0.03 -0.06 -0.13 0.00 -1.33 0.00 0.00 58.87 57.38 2ch0 n SER 102 Cb 0.46 -0.96 -0.11 0.00 -0.75 0.00 0.00 64.21 62.86 2ch0 n SER 102 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ch0 h ALA 103 N 0.09 0.01 0.00 -1.46 0.00 -1.93 -3.50 119.26 112.47 2ch0 h ALA 103 Ca -0.06 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2ch0 h ALA 103 Cb 1.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2ch0 h ALA 103 CO 0.05 -0.17 0.00 -1.13 0.00 0.00 0.00 179.25 178.00 2ch0 n SER 104 N -4.77 0.00 0.00 0.00 3.41 -1.26 -4.79 113.62 106.21 2ch0 n SER 104 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 2ch0 n SER 104 Cb 0.32 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 2ch0 n SER 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ch0 s ASP 106 N 0.02 -0.34 -0.29 0.00 1.01 -1.26 -5.07 116.67 110.74 2ch0 s ASP 106 Ca 0.00 0.35 0.12 0.00 0.71 0.00 0.00 52.55 53.73 2ch0 s ASP 106 Cb 0.00 0.28 0.47 0.00 1.01 0.00 0.00 42.92 44.68 2ch0 s ASP 106 CO 0.00 -0.33 1.16 0.29 0.21 0.00 0.00 175.17 176.50 2ch0 n LYS 107 N 0.65 3.03 -1.16 8.23 5.02 -1.26 -5.01 118.16 127.67 2ch0 n LYS 107 Ca -0.09 -3.98 0.00 0.00 -2.02 0.00 0.00 58.31 52.22 2ch0 n LYS 107 Cb 0.58 -2.07 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 2ch0 n LYS 107 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2ch0 n ILE 108 N -0.66 -2.18 0.00 -0.18 5.41 -1.26 -4.74 119.36 115.76 2ch0 n ILE 108 Ca 0.33 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.08 2ch0 n ILE 108 Cb 0.91 -2.77 0.00 0.00 -0.71 0.00 0.00 39.64 37.06 2ch0 n ILE 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2ch0 n LEU 109 N 0.00 0.00 -2.16 1.39 -0.00 -1.26 -4.51 117.00 110.45 2ch0 n LEU 109 Ca 0.00 -0.18 -0.04 0.00 -0.00 0.00 0.00 56.01 55.79 2ch0 n LEU 109 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2ch0 n LEU 109 CO 0.00 -0.19 -0.00 0.52 -0.00 0.00 0.00 177.39 177.72 2ch0 n VAL 110 N 2.32 -6.58 -4.39 1.47 0.31 -1.26 -5.05 118.33 105.15 2ch0 n VAL 110 Ca 0.00 0.49 -0.34 0.00 -0.01 0.00 0.00 64.34 64.48 2ch0 n VAL 110 Cb 0.00 -5.63 -0.10 0.00 -0.91 0.00 0.00 33.84 27.20 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 -1.70 4.18 0.49 2.52 1.01 -1.26 -5.05 121.20 121.39 2ch0 s ILE 111 Ca 0.11 -0.29 0.27 0.00 0.00 0.00 0.00 60.65 60.75 2ch0 s ILE 111 Cb -0.03 -2.77 0.46 0.00 0.01 0.00 0.00 42.46 40.12 2ch0 s ILE 111 CO 0.38 0.57 1.86 -0.65 0.00 0.00 0.00 174.94 177.10 2ch0 h PRO 112 N 5.59 0.13 -4.06 2.79 0.11 -2.00 -3.47 132.00 131.09 2ch0 h PRO 112 Ca -0.46 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 2ch0 h PRO 112 Cb 1.19 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 32.27 2ch0 h PRO 112 CO 0.57 0.09 -0.03 0.43 -0.21 0.00 0.00 178.00 178.85 2ch0 n SER 113 N -4.36 -4.56 -4.55 -2.05 7.64 -1.26 -4.98 113.62 99.50 2ch0 n SER 113 Ca 0.20 -0.05 -0.41 0.00 1.01 0.00 0.00 58.87 59.61 2ch0 n SER 113 Cb 0.92 -2.91 -0.03 0.00 -1.01 0.00 0.00 64.21 61.19 2ch0 n SER 113 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2ch0 s LYS 114 N -3.05 3.64 0.22 1.43 1.02 -1.26 -4.88 119.74 116.86 2ch0 s LYS 114 Ca 0.01 -1.29 -0.23 0.00 0.02 0.00 0.00 55.97 54.49 2ch0 s LYS 114 Cb -0.00 -5.34 0.05 0.00 -0.52 0.00 0.00 37.83 32.02 2ch0 s LYS 114 CO 0.33 -2.17 0.88 0.54 -0.92 0.00 0.00 175.35 174.01 2ch0 s VAL 115 N 4.66 0.00 -0.32 3.17 0.11 -1.26 -5.14 120.40 121.62 2ch0 s VAL 115 Ca 0.46 -0.79 -0.03 0.00 -2.93 0.00 0.00 61.98 58.69 2ch0 s VAL 115 Cb -0.00 -2.17 0.06 0.00 -1.53 0.00 0.00 36.38 32.74 2ch0 s VAL 115 CO -0.08 0.00 0.05 0.86 -3.33 0.00 0.00 175.10 172.60 2ch0 s TRP 116 N -3.27 3.32 -0.18 1.54 -0.11 -1.26 -4.97 118.94 114.01 2ch0 s TRP 116 Ca 0.13 -1.91 0.20 0.00 1.22 0.00 0.00 56.10 55.74 2ch0 s TRP 116 Cb -0.03 -2.33 -0.06 0.00 -1.50 0.00 0.00 33.47 29.54 2ch0 s TRP 116 CO 0.05 -0.82 0.94 1.04 -4.62 0.00 0.00 176.95 173.54 2ch0 n GLN 117 N 4.64 0.61 0.00 5.86 6.02 -1.26 -5.01 117.38 128.24 2ch0 n GLN 117 Ca -0.11 0.17 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 2ch0 n GLN 117 Cb 0.43 -1.82 0.00 0.00 1.02 0.00 0.00 30.24 29.87 2ch0 n GLN 117 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ch0 n GLY 118 N 1.28 3.21 0.01 1.08 0.00 -1.26 -4.91 105.19 104.59 2ch0 n GLY 118 Ca -0.04 -0.96 0.13 0.00 0.00 0.00 0.00 46.02 45.15 2ch0 n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ch0 n GLN 119 N 0.00 0.01 -0.83 1.61 10.64 -1.26 -4.53 117.38 123.02 2ch0 n GLN 119 Ca 0.00 0.06 -0.17 0.00 -1.83 0.00 0.00 57.00 55.07 2ch0 n GLN 119 Cb 0.00 -1.52 -0.09 0.00 -0.86 0.00 0.00 30.24 27.78 2ch0 n GLN 119 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2ch0 n ALA 120 N -1.52 5.35 -0.09 2.61 0.00 -1.26 -3.73 120.51 121.87 2ch0 n ALA 120 Ca 0.06 -1.84 -0.12 0.00 0.00 0.00 0.00 53.44 51.54 2ch0 n ALA 120 Cb 0.31 -2.62 -0.04 0.00 0.00 0.00 0.00 19.45 17.10 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 3.12 0.00 -1.06 0.00 3.72 -1.26 -4.72 117.46 117.26 2ch0 n PHE 121 Ca 0.42 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.90 2ch0 n PHE 121 Cb 0.49 -0.56 0.10 0.00 -0.94 0.00 0.00 39.48 38.58 2ch0 n PHE 121 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 2ch0 n HIS 122 N -4.37 0.00 0.00 1.38 8.25 -1.26 -5.04 115.22 114.18 2ch0 n HIS 122 Ca -0.20 -0.80 0.00 0.00 -0.26 0.00 0.00 57.72 56.45 2ch0 n HIS 122 Cb 0.56 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.55 2ch0 n HIS 122 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2ch0 n LEU 123 N -1.13 0.00 0.00 2.41 -0.00 -1.24 -4.89 117.00 112.14 2ch0 n LEU 123 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.13 2ch0 n LEU 123 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.02 2ch0 n LEU 123 CO 0.01 0.00 0.00 0.47 -0.00 0.00 0.00 177.39 177.87 2ch0 n ASP 124 N 2.36 0.00 -3.15 1.96 8.00 -1.26 -4.65 116.55 119.81 2ch0 n ASP 124 Ca 0.00 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.55 2ch0 n ASP 124 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 2ch0 n ASP 124 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2ch0 s ARG 125 N 0.00 0.39 0.00 -1.24 6.06 -1.26 -5.09 118.95 117.82 2ch0 s ARG 125 Ca 0.00 0.55 -0.00 0.00 -2.50 0.00 0.00 55.73 53.78 2ch0 s ARG 125 Cb 0.00 0.28 -0.00 0.00 0.06 0.00 0.00 34.95 35.29 2ch0 s ARG 125 CO 0.00 -0.57 0.20 2.89 -2.50 0.00 0.00 175.30 175.31 2ch0 n ARG 126 N 5.37 0.09 -0.63 5.12 1.85 -1.26 -4.27 116.66 122.93 2ch0 n ARG 126 Ca 0.01 -0.00 0.03 0.00 -1.00 0.00 0.00 57.85 56.89 2ch0 n ARG 126 Cb 0.54 -1.46 0.25 0.00 -1.05 0.00 0.00 32.46 30.74 2ch0 n ARG 126 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09 2ch0 n LEU 127 N 1.99 4.29 0.03 2.89 -0.00 -1.26 -3.90 117.00 121.04 2ch0 n LEU 127 Ca 0.00 -3.27 0.00 0.00 -0.00 0.00 0.00 56.01 52.75 2ch0 n LEU 127 Cb 0.05 -0.60 0.00 0.00 -0.00 0.00 0.00 43.42 42.86 2ch0 n LEU 127 CO 0.01 0.86 0.00 -0.62 -0.00 0.00 0.00 177.39 177.64 2ch0 n GLU 128 N -0.65 0.00 -3.96 1.47 -0.58 -1.26 -5.01 120.64 110.64 2ch0 n GLU 128 Ca 0.28 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.71 2ch0 n GLU 128 Cb 1.01 -0.05 -0.15 0.00 -0.57 0.00 0.00 31.44 31.68 2ch0 n GLU 128 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 2ch0 s ARG 129 N -1.30 1.51 0.00 3.49 3.52 -1.26 -4.93 118.95 119.97 2ch0 s ARG 129 Ca 0.00 -1.98 0.00 0.00 -0.13 0.00 0.00 55.73 53.62 2ch0 s ARG 129 Cb 0.00 -3.07 0.00 0.00 -1.56 0.00 0.00 34.95 30.32 2ch0 s ARG 129 CO 0.00 -1.00 0.00 -0.35 -0.81 0.00 0.00 175.30 173.14 2ch0 n PRO 130 N 4.01 0.00 -3.96 5.12 -0.04 -1.25 -4.72 135.00 134.16 2ch0 n PRO 130 Ca 0.04 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.20 2ch0 n PRO 130 Cb 0.39 -0.32 -0.14 0.00 -0.04 0.00 0.00 33.50 33.39 2ch0 n PRO 130 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2ch0 s HIS 131 N 0.00 3.28 0.00 0.54 5.65 -1.26 -4.89 115.29 118.61 2ch0 s HIS 131 Ca 0.00 -3.14 0.00 0.00 0.25 0.00 0.00 55.06 52.17 2ch0 s HIS 131 Cb 0.00 -2.85 0.00 0.00 -1.18 0.00 0.00 32.58 28.55 2ch0 s HIS 131 CO 0.00 -0.78 0.00 -2.13 -0.65 0.00 0.00 174.74 171.18 2ch0 n ARG 132 N 3.29 0.00 -0.70 2.88 0.63 -1.26 -5.08 116.66 116.42 2ch0 n ARG 132 Ca 0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.98 2ch0 n ARG 132 Cb 0.34 -0.24 0.00 0.00 0.45 0.00 0.00 32.46 33.01 2ch0 n ARG 132 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65