#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ch0 n SER 2 N 0.00 -2.61 -4.74 1.61 3.41 -1.26 -5.11 113.62 104.93 2ch0 n SER 2 Ca 0.00 -0.02 -0.28 0.00 -0.26 0.00 0.00 58.87 58.31 2ch0 n SER 2 Cb 0.00 -1.38 0.11 0.00 -0.26 0.00 0.00 64.21 62.68 2ch0 n SER 2 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 2ch0 s PRO 3 N -3.03 1.73 -0.10 4.33 0.02 -1.26 -5.05 135.00 131.64 2ch0 s PRO 3 Ca 0.01 -0.13 -0.08 0.00 0.02 0.00 0.00 61.00 60.82 2ch0 s PRO 3 Cb -0.00 -1.99 -0.27 0.00 0.02 0.00 0.00 34.50 32.25 2ch0 s PRO 3 CO 0.08 -1.68 0.45 0.93 -0.33 0.00 0.00 177.00 176.45 2ch0 h GLU 4 N -1.06 0.30 -3.17 5.54 5.08 -2.07 -3.49 114.58 115.71 2ch0 h GLU 4 Ca -0.45 -0.51 -0.30 0.00 -1.00 0.00 0.00 59.36 57.10 2ch0 h GLU 4 Cb 1.30 0.19 0.03 0.00 0.50 0.00 0.00 28.75 30.78 2ch0 h GLU 4 CO 0.58 1.24 -0.43 1.19 -1.00 0.00 0.00 179.01 180.59 2ch0 n PHE 5 N -3.54 -1.31 -0.66 4.33 3.72 -1.26 -4.95 117.46 113.79 2ch0 n PHE 5 Ca -0.30 0.31 -0.07 0.00 -0.05 0.00 0.00 57.45 57.35 2ch0 n PHE 5 Cb 1.05 -3.49 -0.09 0.00 -0.94 0.00 0.00 39.48 36.00 2ch0 n PHE 5 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2ch0 n ARG 6 N -3.02 1.33 -4.56 -1.08 5.12 -1.26 -4.66 116.66 108.53 2ch0 n ARG 6 Ca -0.10 -0.56 -0.26 0.00 -1.93 0.00 0.00 57.85 55.00 2ch0 n ARG 6 Cb 0.60 -1.67 -0.11 0.00 -1.16 0.00 0.00 32.46 30.12 2ch0 n ARG 6 CO 0.00 0.00 0.00 1.67 -1.93 0.00 0.00 177.63 177.37 2ch0 s TRP 7 N 1.19 2.41 -0.57 -1.55 -2.14 -1.26 -5.06 118.94 111.95 2ch0 s TRP 7 Ca 0.37 -0.58 0.24 0.00 2.66 0.00 0.00 56.10 58.79 2ch0 s TRP 7 Cb 0.18 -1.51 0.93 0.00 -3.10 0.00 0.00 33.47 29.97 2ch0 s TRP 7 CO 0.00 0.51 1.71 2.41 -2.66 0.00 0.00 176.95 178.92 2ch0 n THR 8 N -0.84 0.78 0.21 0.66 -1.04 -1.26 -2.37 114.28 110.42 2ch0 n THR 8 Ca -0.05 0.13 0.08 0.00 -2.04 0.00 0.00 64.05 62.17 2ch0 n THR 8 Cb 0.65 -1.03 0.43 0.00 -1.82 0.00 0.00 70.33 68.55 2ch0 n THR 8 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2ch0 h LYS 9 N 0.00 0.00 0.00 -2.82 1.57 -1.97 -3.29 116.57 110.06 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 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2ch0 h LYS 9 CO 0.00 0.30 0.18 -1.91 -0.57 0.00 0.00 179.45 177.45 2ch0 n GLU 10 N -3.56 0.10 0.11 3.15 2.13 -1.00 -1.75 120.64 119.82 2ch0 n GLU 10 Ca -0.01 0.58 0.05 0.00 0.66 0.00 0.00 57.16 58.44 2ch0 n GLU 10 Cb 0.44 -2.01 0.48 0.00 0.27 0.00 0.00 31.44 30.62 2ch0 n GLU 10 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2ch0 h GLU 11 N 0.00 0.30 -0.06 5.31 5.08 -1.81 0.46 114.58 123.85 2ch0 h GLU 11 Ca 0.00 -0.03 -0.21 0.00 -1.00 0.00 0.00 59.36 58.12 2ch0 h GLU 11 Cb 0.36 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.56 2ch0 h GLU 11 CO 0.00 0.26 -0.77 1.05 -1.00 0.00 0.00 179.01 178.54 2ch0 h GLU 12 N 0.30 0.63 -0.37 2.33 4.11 -1.65 0.12 114.58 120.05 2ch0 h GLU 12 Ca 0.08 -0.60 -0.00 0.00 0.07 0.00 0.00 59.36 58.91 2ch0 h GLU 12 Cb 0.07 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2ch0 h GLU 12 CO -0.01 1.21 0.23 1.49 0.07 0.00 0.00 179.01 182.00 2ch0 h GLU 13 N 0.27 0.49 0.02 1.06 4.81 -1.70 -3.33 114.58 116.20 2ch0 h GLU 13 Ca -0.08 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.07 2ch0 h GLU 13 Cb 1.43 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.71 2ch0 h GLU 13 CO 0.16 0.36 -0.17 1.79 -0.73 0.00 0.00 179.01 180.42 2ch0 h THR 14 N 0.48 1.67 0.00 0.32 1.35 -1.00 -3.50 112.91 112.24 2ch0 h THR 14 Ca 0.13 -2.19 0.00 0.00 -0.55 0.00 0.00 66.41 63.80 2ch0 h THR 14 Cb -0.01 3.14 0.00 0.00 -1.73 0.00 0.00 68.15 69.55 2ch0 h THR 14 CO -0.03 0.58 0.00 0.54 -0.25 0.00 0.00 175.52 176.37 2ch0 n ARG 15 N -4.54 0.00 -0.91 4.72 1.74 0.42 -4.38 116.66 113.71 2ch0 n ARG 15 Ca -0.10 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.85 2ch0 n ARG 15 Cb 0.51 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.92 2ch0 n ARG 15 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2ch0 n GLN 16 N 9.93 1.71 0.02 5.56 6.02 -1.26 -4.44 117.38 134.92 2ch0 n GLN 16 Ca 0.00 -1.14 -0.08 0.00 -0.01 0.00 0.00 57.00 55.77 2ch0 n GLN 16 Cb 0.00 -1.60 0.08 0.00 1.02 0.00 0.00 30.24 29.74 2ch0 n GLN 16 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ch0 h MET 17 N 1.90 0.49 0.00 -1.09 -0.00 -1.89 -3.34 114.93 110.99 2ch0 h MET 17 Ca 0.21 -0.30 0.00 0.00 -0.00 0.00 0.00 59.70 59.61 2ch0 h MET 17 Cb 1.02 0.03 0.00 0.00 -0.00 0.00 0.00 31.60 32.65 2ch0 h MET 17 CO 0.46 0.90 0.29 1.88 -0.00 0.00 0.00 176.91 180.44 2ch0 h TYR 18 N 0.38 0.00 0.00 -0.10 0.05 -1.97 -2.58 116.97 112.75 2ch0 h TYR 18 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.79 2ch0 h TYR 18 Cb 1.06 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.80 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 -2.26 0.00 0.17 3.88 8.00 -1.26 -4.78 116.55 120.30 2ch0 n ASP 19 Ca -0.01 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.54 2ch0 n ASP 19 Cb 0.32 0.00 0.19 0.00 -0.02 0.00 0.00 41.12 41.61 2ch0 n ASP 19 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 2ch0 h MET 20 N 0.00 0.00 -0.08 -1.24 2.86 -1.85 -3.38 114.93 111.23 2ch0 h MET 20 Ca 0.00 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.52 2ch0 h MET 20 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2ch0 h MET 20 CO 0.00 0.41 -0.50 -0.39 1.06 0.00 0.00 176.91 177.49 2ch0 h VAL 21 N 0.00 1.35 -0.87 -2.22 -1.51 -1.79 -3.35 116.25 107.86 2ch0 h VAL 21 Ca -0.00 -1.74 0.21 0.00 -1.23 0.00 0.00 66.70 63.94 2ch0 h VAL 21 Cb 1.14 1.84 -0.06 0.00 -2.13 0.00 0.00 31.29 32.08 2ch0 h VAL 21 CO 0.05 0.51 0.59 -0.37 -1.23 0.00 0.00 177.57 177.13 2ch0 h VAL 22 N 0.18 0.65 -0.02 7.19 -1.51 -1.75 -1.80 116.25 119.20 2ch0 h VAL 22 Ca 0.01 -0.10 -0.03 0.00 -1.23 0.00 0.00 66.70 65.35 2ch0 h VAL 22 Cb 0.95 0.35 0.00 0.00 -2.13 0.00 0.00 31.29 30.46 2ch0 h VAL 22 CO 0.08 0.05 -0.10 0.11 -1.23 0.00 0.00 177.57 176.48 2ch0 h LYS 23 N 0.28 0.09 -0.74 5.19 6.56 -1.87 -3.38 116.57 122.71 2ch0 h LYS 23 Ca 0.44 -0.08 0.11 0.00 -1.06 0.00 0.00 60.65 60.06 2ch0 h LYS 23 Cb 1.28 0.02 -0.05 0.00 -0.57 0.00 0.00 32.23 32.91 2ch0 h LYS 23 CO -0.12 0.76 0.49 0.82 -2.06 0.00 0.00 179.45 179.33 2ch0 h ILE 24 N -0.55 0.89 -0.65 1.86 2.04 -1.58 -2.34 117.51 117.18 2ch0 h ILE 24 Ca -0.01 -0.19 0.19 0.00 1.00 0.00 0.00 64.86 65.85 2ch0 h ILE 24 Cb 0.78 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 2ch0 h ILE 24 CO 0.02 0.10 0.48 0.16 0.00 0.00 0.00 178.15 178.91 2ch0 h ILE 25 N 0.56 0.63 0.00 -0.67 3.07 -1.52 -0.77 117.51 118.81 2ch0 h ILE 25 Ca 0.35 0.00 -0.08 0.00 1.55 0.00 0.00 64.86 66.68 2ch0 h ILE 25 Cb 0.60 0.66 -0.01 0.00 -0.27 0.00 0.00 36.82 37.79 2ch0 h ILE 25 CO -0.12 0.00 -0.36 -0.78 -1.05 0.00 0.00 178.15 175.84 2ch0 h ASP 26 N 0.00 0.00 0.32 2.16 3.58 -1.64 -3.17 116.42 117.66 2ch0 h ASP 26 Ca 0.31 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.74 2ch0 h ASP 26 Cb 1.27 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.32 2ch0 h ASP 26 CO -0.00 0.36 -0.15 -0.37 -2.88 0.00 0.00 179.24 176.19 2ch0 h VAL 27 N 0.00 0.70 0.14 2.25 -1.51 -1.29 -2.90 116.25 113.65 2ch0 h VAL 27 Ca -0.00 -0.15 -0.01 0.00 -1.23 0.00 0.00 66.70 65.31 2ch0 h VAL 27 Cb 0.69 0.78 0.00 0.00 -2.13 0.00 0.00 31.29 30.64 2ch0 h VAL 27 CO 0.05 0.03 -0.07 -0.07 -1.23 0.00 0.00 177.57 176.28 2ch0 h LEU 28 N -0.51 -0.16 -1.95 4.19 -0.00 -1.68 -3.25 115.31 111.95 2ch0 h LEU 28 Ca -0.04 -0.34 0.20 0.00 -0.00 0.00 0.00 57.88 57.69 2ch0 h LEU 28 Cb 0.38 0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 41.05 2ch0 h LEU 28 CO 0.07 0.30 0.57 -0.09 -0.00 0.00 0.00 178.44 179.29 2ch0 h ARG 29 N -0.67 0.00 0.01 1.13 2.43 -1.69 -2.28 114.38 113.31 2ch0 h ARG 29 Ca -0.02 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 2ch0 h ARG 29 Cb 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2ch0 h ARG 29 CO 0.03 0.00 -0.11 0.77 -1.51 0.00 0.00 179.97 179.15 2ch0 h SER 30 N 0.00 0.08 -0.72 -3.80 0.02 -1.60 -2.63 113.55 104.89 2ch0 h SER 30 Ca 0.33 -0.89 -0.05 0.00 -0.84 0.00 0.00 61.79 60.34 2ch0 h SER 30 Cb 1.47 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.95 2ch0 h SER 30 CO -0.00 0.96 0.27 0.45 -1.14 0.00 0.00 176.83 177.36 2ch0 h HIS 31 N -0.79 1.13 -0.75 3.45 3.86 -1.55 -3.09 115.15 117.40 2ch0 h HIS 31 Ca -0.02 -0.10 0.21 0.00 -1.16 0.00 0.00 60.37 59.30 2ch0 h HIS 31 Cb 0.98 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 29.09 2ch0 h HIS 31 CO 0.23 0.88 0.53 -0.91 0.86 0.00 0.00 177.93 179.52 2ch0 h ASN 32 N 1.05 0.06 -0.17 2.45 2.35 -1.52 -1.22 115.58 118.58 2ch0 h ASN 32 Ca 0.24 0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 55.87 2ch0 h ASN 32 Cb 0.25 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.61 2ch0 h ASN 32 CO -0.02 0.03 -0.38 -0.33 -1.65 0.00 0.00 177.43 175.08 2ch0 h GLU 33 N 0.06 0.56 0.00 0.81 4.39 -1.38 -3.27 114.58 115.76 2ch0 h GLU 33 Ca 0.36 -0.37 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 2ch0 h GLU 33 Cb 1.34 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 30.03 2ch0 h GLU 33 CO -0.03 0.99 -0.21 0.00 -1.16 0.00 0.00 179.01 178.60 2ch0 h ALA 34 N 0.57 1.01 0.00 3.43 0.00 -1.54 -3.33 119.26 119.40 2ch0 h ALA 34 Ca 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2ch0 h ALA 34 Cb 0.98 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2ch0 h ALA 34 CO 0.08 0.26 -0.01 0.00 0.00 0.00 0.00 179.25 179.59 2ch0 n GLN 36 N -4.53 0.06 -0.08 0.00 0.00 -1.25 -1.54 117.38 110.04 2ch0 n GLN 36 Ca -0.03 0.49 -0.17 0.00 0.00 0.00 0.00 57.00 57.29 2ch0 n GLN 36 Cb 0.09 -1.97 -0.13 0.00 0.00 0.00 0.00 30.24 28.24 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 -1.82 0.68 -4.73 2.61 4.07 -1.03 0.36 120.64 120.78 2ch0 n GLU 37 Ca -0.01 0.17 -0.32 0.00 -0.06 0.00 0.00 57.16 56.94 2ch0 n GLU 37 Cb 0.28 -1.59 -0.07 0.00 -0.06 0.00 0.00 31.44 30.00 2ch0 n GLU 37 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 2ch0 s ASN 38 N -6.49 3.93 -0.07 4.31 0.01 -0.59 -4.67 114.94 111.37 2ch0 s ASN 38 Ca -0.26 -1.70 -0.02 0.00 -0.71 0.00 0.00 52.86 50.16 2ch0 s ASN 38 Cb 0.08 0.63 -0.01 0.00 0.41 0.00 0.00 41.25 42.37 2ch0 s ASN 38 CO 0.69 -0.92 -0.05 0.07 -1.51 0.00 0.00 177.10 175.38 2ch0 h LYS 39 N 1.38 0.00 -1.74 -0.60 5.09 -1.85 -3.42 116.57 115.43 2ch0 h LYS 39 Ca -0.42 0.00 -0.34 0.00 0.09 0.00 0.00 60.65 59.98 2ch0 h LYS 39 Cb 1.32 0.00 -0.28 0.00 0.10 0.00 0.00 32.23 33.36 2ch0 h LYS 39 CO 0.70 0.00 -0.69 -0.51 -2.09 0.00 0.00 179.45 176.86 2ch0 s ASP 40 N -4.68 0.39 0.18 7.07 1.11 -1.26 0.03 116.67 119.51 2ch0 s ASP 40 Ca -0.04 -1.87 -0.14 0.00 0.18 0.00 0.00 52.55 50.68 2ch0 s ASP 40 Cb 0.01 0.77 0.13 0.00 1.07 0.00 0.00 42.92 44.90 2ch0 s ASP 40 CO 0.06 -0.18 1.76 0.17 1.18 0.00 0.00 175.17 178.16 2ch0 h LEU 41 N 6.29 0.23 -3.96 1.23 8.10 -1.87 -3.15 115.31 122.17 2ch0 h LEU 41 Ca 0.10 0.04 -0.62 0.00 0.11 0.00 0.00 57.88 57.52 2ch0 h LEU 41 Cb 1.05 0.01 -0.30 0.00 -0.44 0.00 0.00 40.66 40.98 2ch0 h LEU 41 CO 0.18 0.17 0.70 1.67 -4.11 0.00 0.00 178.44 177.05 2ch0 n GLN 42 N -4.97 2.60 -0.33 0.17 -0.06 -1.26 -5.03 117.38 108.51 2ch0 n GLN 42 Ca 0.04 -3.27 0.25 0.00 -2.00 0.00 0.00 57.00 52.02 2ch0 n GLN 42 Cb 0.16 -2.25 0.48 0.00 -4.06 0.00 0.00 30.24 24.58 2ch0 n GLN 42 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 2ch0 h PRO 43 N 1.73 0.10 -3.48 3.69 0.13 -1.86 -3.41 132.00 128.90 2ch0 h PRO 43 Ca 0.59 -0.01 -0.22 0.00 -0.87 0.00 0.00 66.00 65.49 2ch0 h PRO 43 Cb 1.40 -0.02 -0.28 0.00 0.13 0.00 0.00 31.00 32.22 2ch0 h PRO 43 CO 1.39 0.07 -0.62 -0.47 -0.23 0.00 0.00 178.00 178.13 2ch0 s TYR 44 N -5.68 -0.09 0.05 1.56 6.14 -1.26 -2.60 117.35 115.47 2ch0 s TYR 44 Ca -0.10 0.26 -0.05 0.00 0.64 0.00 0.00 57.07 57.82 2ch0 s TYR 44 Cb 0.31 -0.01 -0.02 0.00 0.42 0.00 0.00 41.96 42.67 2ch0 s TYR 44 CO 0.78 -0.07 0.09 0.00 0.64 0.00 0.00 175.55 176.99 2ch0 s MET 45 N 0.30 0.65 0.92 4.97 0.23 -0.13 -4.99 119.30 121.25 2ch0 s MET 45 Ca -0.02 -0.91 -0.13 0.00 -1.03 0.00 0.00 55.69 53.60 2ch0 s MET 45 Cb -0.03 0.25 0.14 0.00 -1.53 0.00 0.00 34.83 33.66 2ch0 s MET 45 CO -0.01 -0.16 1.15 -1.25 -2.03 0.00 0.00 175.02 172.71 2ch0 s PRO 46 N -3.21 1.05 0.06 3.16 0.04 -1.26 -1.57 135.00 133.26 2ch0 s PRO 46 Ca 0.00 0.22 -0.25 0.00 0.04 0.00 0.00 61.00 61.01 2ch0 s PRO 46 Cb 0.02 -1.83 -0.17 0.00 0.04 0.00 0.00 34.50 32.56 2ch0 s PRO 46 CO -0.07 -2.24 1.56 0.82 0.04 0.00 0.00 177.00 177.11 2ch0 h ILE 47 N -1.53 0.90 0.00 0.56 2.04 -1.94 -2.79 117.51 114.76 2ch0 h ILE 47 Ca -0.50 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.08 2ch0 h ILE 47 Cb 1.32 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 38.48 2ch0 h ILE 47 CO 0.60 0.07 0.24 -0.65 0.00 0.00 0.00 178.15 178.41 2ch0 h PRO 48 N -0.35 0.00 -0.17 2.37 0.11 -1.96 -3.33 132.00 128.66 2ch0 h PRO 48 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2ch0 h PRO 48 Cb 0.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 2ch0 h PRO 48 CO 0.04 0.00 0.11 1.25 -0.21 0.00 0.00 178.00 179.18 2ch0 h HIS 49 N 0.00 0.20 -0.15 0.65 -0.00 -1.87 0.91 115.15 114.89 2ch0 h HIS 49 Ca 0.00 0.01 -0.11 0.00 -0.00 0.00 0.00 60.37 60.26 2ch0 h HIS 49 Cb 0.49 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.82 2ch0 h HIS 49 CO 0.00 0.12 -0.40 -0.39 -0.00 0.00 0.00 177.93 177.27 2ch0 h VAL 50 N 0.22 1.30 -0.36 5.26 -1.51 -1.75 -1.92 116.25 117.50 2ch0 h VAL 50 Ca 0.06 -1.52 -0.17 0.00 -1.23 0.00 0.00 66.70 63.85 2ch0 h VAL 50 Cb -0.02 1.63 -0.00 0.00 -2.13 0.00 0.00 31.29 30.77 2ch0 h VAL 50 CO -0.02 0.46 -0.44 -0.09 -1.23 0.00 0.00 177.57 176.25 2ch0 h ARG 51 N 0.29 0.93 0.00 5.19 9.65 -1.62 -3.36 114.38 125.45 2ch0 h ARG 51 Ca 0.03 -0.52 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 2ch0 h ARG 51 Cb 0.83 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.44 2ch0 h ARG 51 CO 0.07 1.17 0.22 -3.47 2.80 0.00 0.00 179.97 180.75 2ch0 n ASP 52 N -4.04 0.22 0.15 -3.80 2.03 0.31 0.65 116.55 112.07 2ch0 n ASP 52 Ca -0.03 0.48 0.13 0.00 0.52 0.00 0.00 54.79 55.89 2ch0 n ASP 52 Cb 0.57 -0.46 0.39 0.00 -0.72 0.00 0.00 41.12 40.90 2ch0 n ASP 52 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 2ch0 h SER 53 N 0.00 0.00 0.45 1.67 0.87 -1.70 -3.39 113.55 111.44 2ch0 h SER 53 Ca 0.00 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.49 2ch0 h SER 53 Cb 0.43 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 2ch0 h SER 53 CO 0.00 0.00 -0.35 0.17 -0.53 0.00 0.00 176.83 176.12 2ch0 h LEU 54 N 0.00 0.00 -7.76 2.23 -0.00 -0.02 -3.42 115.31 106.35 2ch0 h LEU 54 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.79 2ch0 h LEU 54 Cb 0.72 0.00 -0.15 0.00 -0.00 0.00 0.00 40.66 41.23 2ch0 h LEU 54 CO 0.00 0.35 -0.35 -0.63 -0.00 0.00 0.00 178.44 177.81 2ch0 s ILE 55 N -4.08 0.13 -0.21 0.15 -1.09 -1.26 -5.02 121.20 109.81 2ch0 s ILE 55 Ca -0.02 -1.06 -0.21 0.00 -2.23 0.00 0.00 60.65 57.13 2ch0 s ILE 55 Cb 0.14 -1.23 -0.19 0.00 -1.58 0.00 0.00 42.46 39.60 2ch0 s ILE 55 CO 0.71 -0.59 0.20 1.67 -1.23 0.00 0.00 174.94 175.70 2ch0 n GLN 56 N 0.11 0.57 0.00 2.79 0.00 -1.26 -4.56 117.38 115.03 2ch0 n GLN 56 Ca -0.16 0.56 0.00 0.00 -0.00 0.00 0.00 57.00 57.40 2ch0 n GLN 56 Cb 0.62 -1.74 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 -4.39 0.00 0.14 3.69 -0.04 -1.26 -4.79 135.00 128.35 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 0.70 0.00 0.12 0.00 -0.04 0.00 0.00 33.50 34.28 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 -0.16 0.54 3.86 -2.00 -3.26 115.15 114.13 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 0.59 0.00 -0.25 0.86 0.00 0.00 177.93 179.13 2ch0 n ASP 59 N -3.45 1.59 -0.29 2.45 8.00 -1.26 -4.51 116.55 119.08 2ch0 n ASP 59 Ca 0.00 -1.71 0.23 0.00 0.71 0.00 0.00 54.79 54.03 2ch0 n ASP 59 Cb 0.69 -0.10 0.54 0.00 -0.02 0.00 0.00 41.12 42.23 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 2.10 0.33 0.00 -1.24 -0.00 -1.80 0.12 114.38 113.89 2ch0 h ARG 60 Ca 0.00 -0.02 -0.06 0.00 -0.00 0.00 0.00 59.98 59.90 2ch0 h ARG 60 Cb 0.46 -0.07 -0.01 0.00 -0.00 0.00 0.00 29.97 30.35 2ch0 h ARG 60 CO 0.00 0.22 -0.27 -0.22 -0.00 0.00 0.00 179.97 179.70 2ch0 h LYS 61 N 0.34 0.00 -0.16 0.08 3.11 -1.88 -3.40 116.57 114.67 2ch0 h LYS 61 Ca 0.54 0.00 0.05 0.00 -2.81 0.00 0.00 60.65 58.43 2ch0 h LYS 61 Cb 1.48 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.70 2ch0 h LYS 61 CO -0.21 0.27 0.32 -0.22 -2.81 0.00 0.00 179.45 176.79 2ch0 h LYS 62 N 0.00 0.00 -0.02 1.90 3.64 -1.29 0.43 116.57 121.23 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 0.81 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 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 -3.32 0.34 0.18 1.90 2.81 -1.26 -4.59 117.12 113.18 2ch0 n MET 63 Ca 0.01 -1.07 0.02 0.00 -1.81 0.00 0.00 57.70 54.85 2ch0 n MET 63 Cb 0.42 -1.18 0.33 0.00 -0.71 0.00 0.00 33.22 32.07 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 1.82 0.00 -0.44 0.03 3.64 -1.10 -1.61 116.57 118.91 2ch0 h LYS 64 Ca 0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 2ch0 h LYS 64 Cb 0.39 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 2ch0 h LYS 64 CO 0.00 0.42 -0.02 -0.22 -2.27 0.00 0.00 179.45 177.36 2ch0 h LYS 65 N 0.00 0.73 0.00 1.90 3.64 -1.79 -2.91 116.57 118.14 2ch0 h LYS 65 Ca -0.00 -0.19 -0.17 0.00 -1.27 0.00 0.00 60.65 59.01 2ch0 h LYS 65 Cb 0.76 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 2ch0 h LYS 65 CO 0.05 0.75 -0.83 -0.24 -2.27 0.00 0.00 179.45 176.92 2ch0 h VAL 66 N 0.68 1.59 -0.99 2.00 3.04 -1.79 -3.35 116.25 117.42 2ch0 h VAL 66 Ca 0.13 -2.81 0.22 0.00 -1.01 0.00 0.00 66.70 63.24 2ch0 h VAL 66 Cb 0.44 2.52 -0.10 0.00 -2.01 0.00 0.00 31.29 32.15 2ch0 h VAL 66 CO 0.02 0.80 0.62 -0.25 -1.01 0.00 0.00 177.57 177.76 2ch0 h TRP 67 N 0.01 0.83 -0.79 3.17 -0.00 -1.08 -0.82 115.95 117.28 2ch0 h TRP 67 Ca -0.01 0.03 0.11 0.00 -0.00 0.00 0.00 58.89 59.01 2ch0 h TRP 67 Cb 1.46 -0.25 -0.08 0.00 -0.00 0.00 0.00 29.16 30.29 2ch0 h TRP 67 CO 0.00 0.15 0.42 -0.44 -0.00 0.00 0.00 178.44 178.57 2ch0 h ASP 68 N 0.57 0.55 0.05 2.65 3.32 -1.70 0.47 116.42 122.33 2ch0 h ASP 68 Ca 0.56 0.06 -0.13 0.00 0.02 0.00 0.00 57.03 57.55 2ch0 h ASP 68 Cb 1.16 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 40.68 2ch0 h ASP 68 CO -0.32 0.30 -0.55 -0.09 -1.72 0.00 0.00 179.24 176.86 2ch0 h ARG 69 N 0.68 0.29 -0.28 3.56 9.65 -1.59 -3.39 114.38 123.29 2ch0 h ARG 69 Ca 0.39 -0.37 0.03 0.00 -1.10 0.00 0.00 59.98 58.93 2ch0 h ARG 69 Cb 0.43 0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.12 2ch0 h ARG 69 CO -0.28 1.10 0.19 0.00 2.80 0.00 0.00 179.97 183.78 2ch0 h ALA 70 N 0.20 1.96 -0.49 2.80 0.00 -0.43 -2.53 119.26 120.77 2ch0 h ALA 70 Ca -0.08 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.86 2ch0 h ALA 70 Cb 1.33 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 2ch0 h ALA 70 CO 0.11 -0.00 0.33 0.28 0.00 0.00 0.00 179.25 179.96 2ch0 h VAL 71 N 0.25 1.01 -0.21 0.00 2.07 -0.28 -0.93 116.25 118.15 2ch0 h VAL 71 Ca 0.12 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.49 2ch0 h VAL 71 Cb 0.17 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 2ch0 h VAL 71 CO -0.02 0.09 0.07 -0.78 0.02 0.00 0.00 177.57 176.95 2ch0 h ASP 72 N 0.49 0.08 -0.14 0.57 3.58 -1.65 0.37 116.42 119.71 2ch0 h ASP 72 Ca 0.20 0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.63 2ch0 h ASP 72 Cb 0.20 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.26 2ch0 h ASP 72 CO -0.05 0.07 -0.08 -0.26 -2.88 0.00 0.00 179.24 176.04 2ch0 h PHE 73 N 0.17 0.35 0.03 0.28 0.04 -1.65 -3.19 116.94 112.96 2ch0 h PHE 73 Ca 0.09 -0.09 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 2ch0 h PHE 73 Cb 0.06 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.13 2ch0 h PHE 73 CO -0.12 0.64 -0.02 1.25 -0.60 0.00 0.00 178.31 179.46 2ch0 h LEU 74 N -0.04 -0.04 -2.33 1.54 5.85 -1.12 -3.35 115.31 115.82 2ch0 h LEU 74 Ca 0.03 -0.39 0.04 0.00 0.84 0.00 0.00 57.88 58.40 2ch0 h LEU 74 Cb 0.55 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.59 2ch0 h LEU 74 CO 0.02 0.38 0.18 0.00 -0.34 0.00 0.00 178.44 178.68 2ch0 h ALA 75 N 0.49 1.61 0.00 1.25 0.00 -0.39 -1.85 119.26 120.37 2ch0 h ALA 75 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ch0 h ALA 75 Cb 0.43 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2ch0 h ALA 75 CO 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.02 2ch0 h ALA 76 N 1.76 1.00 -0.02 0.00 0.00 -1.69 -3.04 119.26 117.28 2ch0 h ALA 76 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2ch0 h ALA 76 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2ch0 h ALA 76 CO -0.00 0.00 -0.08 0.09 0.00 0.00 0.00 179.25 179.26 2ch0 n ASN 77 N -2.50 2.21 0.00 0.00 4.13 -0.69 -5.05 115.26 113.35 2ch0 n ASN 77 Ca 0.02 -1.60 0.00 0.00 1.68 0.00 0.00 54.58 54.67 2ch0 n ASN 77 Cb 0.25 0.12 0.00 0.00 -1.54 0.00 0.00 39.78 38.60 2ch0 n ASN 77 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 2ch0 n GLU 78 N 0.68 0.00 0.00 3.52 4.07 -1.15 -5.11 120.64 122.65 2ch0 n GLU 78 Ca 0.09 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.19 2ch0 n GLU 78 Cb 0.40 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.78 2ch0 n GLU 78 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 2ch0 n SER 79 N 0.05 0.00 -0.63 4.31 7.64 -1.26 -4.62 113.62 119.11 2ch0 n SER 79 Ca 0.00 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.01 2ch0 n SER 79 Cb 0.00 0.00 0.27 0.00 -1.01 0.00 0.00 64.21 63.47 2ch0 n SER 79 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2ch0 n ARG 80 N -0.26 1.75 -4.06 1.43 5.12 -1.26 -4.92 116.66 114.46 2ch0 n ARG 80 Ca 0.00 -1.27 -0.32 0.00 -1.93 0.00 0.00 57.85 54.32 2ch0 n ARG 80 Cb 0.00 -1.47 -0.06 0.00 -1.16 0.00 0.00 32.46 29.76 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 -2.13 4.78 -0.05 1.55 -7.23 -1.26 -4.70 120.40 111.36 2ch0 s VAL 81 Ca 0.30 -0.47 0.02 0.00 -1.81 0.00 0.00 61.98 60.02 2ch0 s VAL 81 Cb 0.20 -3.23 -0.03 0.00 0.56 0.00 0.00 36.38 33.88 2ch0 s VAL 81 CO 0.38 0.28 -0.10 0.00 -0.31 0.00 0.00 175.10 175.35 2ch0 s ARG 82 N -1.96 2.61 -0.27 4.82 1.70 -1.04 -4.92 118.95 119.89 2ch0 s ARG 82 Ca 0.26 -0.64 -0.10 0.00 -0.47 0.00 0.00 55.73 54.78 2ch0 s ARG 82 Cb -0.12 -2.49 -0.04 0.00 -0.57 0.00 0.00 34.95 31.72 2ch0 s ARG 82 CO 0.17 0.64 0.16 0.99 -1.08 0.00 0.00 175.30 176.18 2ch0 s THR 83 N -0.81 5.05 0.04 4.99 2.01 -1.26 -1.79 115.64 123.87 2ch0 s THR 83 Ca 0.13 0.08 0.05 0.00 0.31 0.00 0.00 61.69 62.26 2ch0 s THR 83 Cb -0.11 -3.40 -0.02 0.00 0.01 0.00 0.00 72.50 68.98 2ch0 s THR 83 CO 0.02 0.28 -0.15 -0.70 -0.69 0.00 0.00 174.62 173.38 2ch0 s GLU 84 N 1.71 0.98 -0.44 4.92 2.12 -0.73 -4.92 118.70 122.33 2ch0 s GLU 84 Ca 0.07 -0.78 -0.26 0.00 0.36 0.00 0.00 54.97 54.36 2ch0 s GLU 84 Cb -0.16 -1.00 0.02 0.00 0.26 0.00 0.00 34.13 33.26 2ch0 s GLU 84 CO 0.09 0.25 0.94 0.95 -0.54 0.00 0.00 175.26 176.95 2ch0 s THR 85 N -0.86 4.48 0.02 -1.70 -4.23 -1.25 -1.38 115.64 110.71 2ch0 s THR 85 Ca 0.02 0.87 0.01 0.00 -1.18 0.00 0.00 61.69 61.41 2ch0 s THR 85 Cb -0.08 -4.42 -0.01 0.00 1.34 0.00 0.00 72.50 69.32 2ch0 s THR 85 CO 0.01 -0.78 -0.04 -0.60 -0.54 0.00 0.00 174.62 172.67 2ch0 s ARG 86 N 3.74 0.30 -0.28 3.99 6.06 -0.79 -4.93 118.95 127.05 2ch0 s ARG 86 Ca 0.38 -0.43 -0.22 0.00 -2.50 0.00 0.00 55.73 52.96 2ch0 s ARG 86 Cb -0.10 -0.09 -0.01 0.00 0.06 0.00 0.00 34.95 34.81 2ch0 s ARG 86 CO 0.25 0.01 0.73 0.50 -2.50 0.00 0.00 175.30 174.29 2ch0 s ARG 87 N -0.92 4.05 -0.01 5.12 3.00 -1.26 -0.99 118.95 127.94 2ch0 s ARG 87 Ca -0.08 0.61 0.00 0.00 -1.00 0.00 0.00 55.73 55.27 2ch0 s ARG 87 Cb -0.06 -3.69 0.02 0.00 0.00 0.00 0.00 34.95 31.22 2ch0 s ARG 87 CO -0.00 -0.55 0.00 0.96 0.00 0.00 0.00 175.30 175.71 2ch0 s ILE 88 N 2.74 0.06 -1.10 4.11 -0.00 0.94 -4.81 121.20 123.14 2ch0 s ILE 88 Ca 0.30 0.06 0.00 0.00 -0.00 0.00 0.00 60.65 61.01 2ch0 s ILE 88 Cb -0.15 -0.13 0.00 0.00 -0.00 0.00 0.00 42.46 42.18 2ch0 s ILE 88 CO 0.10 0.07 0.00 0.61 -0.00 0.00 0.00 174.94 175.72 2ch0 n GLY 89 N 3.66 1.12 1.00 6.27 0.00 -1.26 -1.73 105.19 114.25 2ch0 n GLY 89 Ca -0.21 -0.27 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 -1.02 0.75 3.08 -0.02 0.00 -1.26 -5.09 105.19 101.64 2ch0 n GLY 90 Ca -0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.37 0.71 -0.50 4.61 0.00 -0.70 -5.08 121.76 118.42 2ch0 s ALA 91 Ca 0.00 -0.79 -0.28 0.00 0.00 0.00 0.00 51.96 50.89 2ch0 s ALA 91 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 23.12 23.15 2ch0 s ALA 91 CO 0.00 0.03 1.08 0.34 0.00 0.00 0.00 175.76 177.21 2ch0 s ASP 92 N -1.54 6.53 0.25 0.00 2.15 -1.26 -0.04 116.67 122.76 2ch0 s ASP 92 Ca -0.07 0.23 0.09 0.00 0.43 0.00 0.00 52.55 53.22 2ch0 s ASP 92 Cb -0.10 -2.52 -0.04 0.00 -0.30 0.00 0.00 42.92 39.97 2ch0 s ASP 92 CO 0.01 -1.26 0.04 -0.36 -0.17 0.00 0.00 175.17 173.43 2ch0 s PHE 93 N 4.36 2.79 -0.42 -5.34 0.08 -0.16 -4.88 117.98 114.42 2ch0 s PHE 93 Ca 0.43 -0.19 -0.17 0.00 0.12 0.00 0.00 56.93 57.12 2ch0 s PHE 93 Cb -0.08 -1.25 0.02 0.00 -0.57 0.00 0.00 43.02 41.14 2ch0 s PHE 93 CO 0.28 0.59 0.42 -0.51 -0.10 0.00 0.00 175.22 175.90 2ch0 s LEU 94 N -3.64 4.89 0.10 -0.37 1.02 -1.26 -1.89 118.68 117.52 2ch0 s LEU 94 Ca 0.31 -0.70 0.08 0.00 0.02 0.00 0.00 54.13 53.85 2ch0 s LEU 94 Cb -0.07 -2.36 -0.04 0.00 0.02 0.00 0.00 46.19 43.74 2ch0 s LEU 94 CO 0.21 -0.56 -0.16 0.54 0.02 0.00 0.00 176.35 176.40 2ch0 s VAL 95 N 2.08 2.97 -0.19 -1.59 0.11 -0.48 -4.39 120.40 118.91 2ch0 s VAL 95 Ca 0.11 -1.38 -0.08 0.00 -2.93 0.00 0.00 61.98 57.70 2ch0 s VAL 95 Cb -0.17 -2.35 -0.04 0.00 -1.53 0.00 0.00 36.38 32.29 2ch0 s VAL 95 CO 0.13 0.15 0.08 0.26 -3.33 0.00 0.00 175.10 172.39 2ch0 s TRP 96 N -1.12 3.29 -0.05 1.54 0.51 -0.61 -1.78 118.94 120.72 2ch0 s TRP 96 Ca 0.18 0.14 -0.05 0.00 -2.12 0.00 0.00 56.10 54.25 2ch0 s TRP 96 Cb -0.11 -2.10 0.01 0.00 -0.81 0.00 0.00 33.47 30.47 2ch0 s TRP 96 CO 0.10 0.19 0.14 -0.98 -0.51 0.00 0.00 176.95 175.89 2ch0 s ARG 97 N 0.36 0.16 0.04 4.98 1.70 -0.74 -0.95 118.95 124.49 2ch0 s ARG 97 Ca 0.04 0.20 0.06 0.00 -0.47 0.00 0.00 55.73 55.57 2ch0 s ARG 97 Cb -0.12 0.07 -0.02 0.00 -0.57 0.00 0.00 34.95 34.31 2ch0 s ARG 97 CO -0.00 -0.02 -0.18 1.67 -1.08 0.00 0.00 175.30 175.68 2ch0 s TRP 98 N 0.10 1.61 0.20 5.89 -0.00 -1.07 -2.51 118.94 123.16 2ch0 s TRP 98 Ca -0.00 -0.36 -0.30 0.00 -0.00 0.00 0.00 56.10 55.44 2ch0 s TRP 98 Cb -0.01 -0.97 -0.08 0.00 -0.00 0.00 0.00 33.47 32.41 2ch0 s TRP 98 CO 0.00 0.07 0.93 0.96 -0.00 0.00 0.00 176.95 178.90 2ch0 s ILE 99 N -0.78 4.22 -0.18 0.66 -4.36 -1.26 -4.43 121.20 115.07 2ch0 s ILE 99 Ca 0.06 2.05 0.00 0.00 -0.26 0.00 0.00 60.65 62.50 2ch0 s ILE 99 Cb -0.08 -4.31 0.02 0.00 1.25 0.00 0.00 42.46 39.33 2ch0 s ILE 99 CO 0.01 0.45 -0.18 -1.10 0.24 0.00 0.00 174.94 174.37 2ch0 s GLN 100 N -0.84 3.05 0.13 0.37 -0.21 0.10 -4.95 119.66 117.31 2ch0 s GLN 100 Ca 0.42 -0.80 -0.31 0.00 0.02 0.00 0.00 55.36 54.69 2ch0 s GLN 100 Cb -0.25 -2.62 -0.09 0.00 1.00 0.00 0.00 33.01 31.05 2ch0 s GLN 100 CO 0.31 -0.20 1.44 -2.14 -2.12 0.00 0.00 175.29 172.58 2ch0 s PRO 101 N 1.29 4.29 0.00 2.91 0.02 -1.26 -4.73 135.00 137.52 2ch0 s PRO 101 Ca 0.05 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.23 2ch0 s PRO 101 Cb -0.13 -3.22 0.00 0.00 0.02 0.00 0.00 34.50 31.17 2ch0 s PRO 101 CO -0.11 -0.48 0.00 -1.13 -0.33 0.00 0.00 177.00 174.94 2ch0 n SER 102 N 3.90 0.00 -3.16 2.53 3.41 -1.26 -3.82 113.62 115.22 2ch0 n SER 102 Ca 0.12 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.52 2ch0 n SER 102 Cb 0.41 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.32 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 -1.46 2.03 0.00 7.33 0.00 -1.14 -4.18 120.51 123.09 2ch0 n ALA 103 Ca 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 53.44 50.17 2ch0 n ALA 103 Cb 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 0.96 0.00 -2.75 0.00 2.88 0.16 -4.96 113.62 109.90 2ch0 n SER 104 Ca 0.22 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.65 2ch0 n SER 104 Cb 0.59 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.12 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 -3.29 0.67 -1.61 0.00 8.00 -1.26 -4.88 116.55 114.17 2ch0 n ASP 106 Ca 0.06 -1.56 -0.01 0.00 0.71 0.00 0.00 54.79 54.00 2ch0 n ASP 106 Cb 0.22 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 2ch0 n ASP 106 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2ch0 n LYS 107 N -1.84 -0.20 -1.74 -1.24 4.81 -1.26 -4.89 118.16 111.80 2ch0 n LYS 107 Ca 0.08 0.64 -0.41 0.00 -0.87 0.00 0.00 58.31 57.74 2ch0 n LYS 107 Cb 0.28 -1.84 -0.01 0.00 0.02 0.00 0.00 35.03 33.49 2ch0 n LYS 107 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 2ch0 n ILE 108 N -0.47 3.81 -4.01 3.15 2.08 -1.26 -4.63 119.36 118.03 2ch0 n ILE 108 Ca 0.01 -3.16 -0.35 0.00 0.56 0.00 0.00 62.75 59.81 2ch0 n ILE 108 Cb 0.04 -2.56 -0.10 0.00 -0.75 0.00 0.00 39.64 36.27 2ch0 n ILE 108 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 2ch0 s LEU 109 N 1.31 3.73 0.13 1.39 2.96 -1.26 -5.04 118.68 121.90 2ch0 s LEU 109 Ca 0.51 0.03 -0.13 0.00 -0.22 0.00 0.00 54.13 54.32 2ch0 s LEU 109 Cb 0.14 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 2ch0 s LEU 109 CO -0.07 0.15 1.51 1.62 -1.32 0.00 0.00 176.35 178.24 2ch0 h VAL 110 N 4.97 1.28 -3.90 1.68 3.04 -1.97 -3.43 116.25 117.92 2ch0 h VAL 110 Ca -0.36 -1.27 0.00 0.00 -1.01 0.00 0.00 66.70 64.06 2ch0 h VAL 110 Cb 1.17 1.28 0.00 0.00 -2.01 0.00 0.00 31.29 31.73 2ch0 h VAL 110 CO 0.68 0.42 -0.17 -0.38 -1.01 0.00 0.00 177.57 177.12 2ch0 n ILE 111 N -4.29 -5.45 -3.15 3.17 2.08 -1.26 -4.75 119.36 105.71 2ch0 n ILE 111 Ca -0.02 0.29 -0.33 0.00 0.56 0.00 0.00 62.75 63.26 2ch0 n ILE 111 Cb 0.40 -5.24 -0.06 0.00 -0.75 0.00 0.00 39.64 33.99 2ch0 n ILE 111 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 2ch0 s PRO 112 N -1.82 4.00 0.26 0.38 0.04 -1.26 -5.00 135.00 131.61 2ch0 s PRO 112 Ca 0.08 0.66 0.25 0.00 0.04 0.00 0.00 61.00 62.03 2ch0 s PRO 112 Cb -0.02 -2.46 0.54 0.00 0.04 0.00 0.00 34.50 32.60 2ch0 s PRO 112 CO 0.30 0.17 1.60 0.77 0.04 0.00 0.00 177.00 179.88 2ch0 h SER 113 N 2.31 0.00 0.00 6.66 0.02 -2.06 -3.48 113.55 117.00 2ch0 h SER 113 Ca -0.48 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 2ch0 h SER 113 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2ch0 h SER 113 CO 0.65 0.02 0.00 0.29 -1.14 0.00 0.00 176.83 176.65 2ch0 n LYS 114 N -2.51 0.00 -3.78 3.45 5.02 -1.26 -4.71 118.16 114.38 2ch0 n LYS 114 Ca 0.04 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.23 2ch0 n LYS 114 Cb 0.47 -0.05 -0.07 0.00 -0.02 0.00 0.00 35.03 35.37 2ch0 n LYS 114 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2ch0 s VAL 115 N 0.00 0.11 -1.26 -0.18 0.11 -1.26 -5.08 120.40 112.84 2ch0 s VAL 115 Ca 0.00 -0.89 -0.08 0.00 -2.93 0.00 0.00 61.98 58.08 2ch0 s VAL 115 Cb 0.00 -1.16 0.18 0.00 -1.53 0.00 0.00 36.38 33.87 2ch0 s VAL 115 CO 0.00 -0.49 1.90 1.87 -3.33 0.00 0.00 175.10 175.04 2ch0 n TRP 116 N 0.13 2.79 -2.61 1.54 -0.00 -1.26 -4.53 117.44 113.50 2ch0 n TRP 116 Ca -0.16 -2.76 -0.12 0.00 -0.00 0.00 0.00 57.50 54.46 2ch0 n TRP 116 Cb 0.62 -1.84 0.03 0.00 -0.00 0.00 0.00 31.31 30.11 2ch0 n TRP 116 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 177.69 178.73 2ch0 n GLN 117 N 3.24 1.93 -0.04 5.87 6.02 -1.26 -4.80 117.38 128.34 2ch0 n GLN 117 Ca 0.41 -3.63 0.02 0.00 -0.01 0.00 0.00 57.00 53.79 2ch0 n GLN 117 Cb 0.34 -1.61 -0.13 0.00 1.02 0.00 0.00 30.24 29.86 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 -0.33 -0.80 3.93 1.08 0.00 -1.26 -5.02 105.19 102.79 2ch0 n GLY 118 Ca 0.17 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.89 2.89 -0.04 1.61 0.00 -1.26 -5.13 119.66 114.85 2ch0 s GLN 119 Ca -0.07 -0.25 0.03 0.00 -0.00 0.00 0.00 55.36 55.07 2ch0 s GLN 119 Cb 0.09 -2.38 0.00 0.00 0.00 0.00 0.00 33.01 30.72 2ch0 s GLN 119 CO 0.70 -0.59 -0.12 0.00 0.00 0.00 0.00 175.29 175.29 2ch0 s ALA 120 N -2.84 1.13 0.06 2.60 0.00 -1.26 -5.14 121.76 116.31 2ch0 s ALA 120 Ca 0.53 -0.46 0.04 0.00 0.00 0.00 0.00 51.96 52.07 2ch0 s ALA 120 Cb -0.10 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 2ch0 s ALA 120 CO 0.42 0.18 -0.11 -0.06 0.00 0.00 0.00 175.76 176.19 2ch0 s PHE 121 N 0.22 0.92 0.00 0.00 0.08 -1.26 -4.90 117.98 113.05 2ch0 s PHE 121 Ca -0.05 -0.49 0.00 0.00 0.12 0.00 0.00 56.93 56.51 2ch0 s PHE 121 Cb -0.11 -0.53 0.00 0.00 -0.57 0.00 0.00 43.02 41.81 2ch0 s PHE 121 CO 0.01 -0.02 0.00 1.58 -0.10 0.00 0.00 175.22 176.69 2ch0 n HIS 122 N 1.32 0.00 -0.41 0.36 -0.00 -1.26 -4.84 115.22 110.40 2ch0 n HIS 122 Ca -0.22 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 57.88 2ch0 n HIS 122 Cb 0.55 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.37 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 0.00 2.39 -3.49 0.27 7.94 -1.26 -4.82 117.00 118.03 2ch0 n LEU 123 Ca 0.00 -1.75 -0.40 0.00 -1.11 0.00 0.00 56.01 52.74 2ch0 n LEU 123 Cb 0.00 -0.65 -0.02 0.00 0.53 0.00 0.00 43.42 43.28 2ch0 n LEU 123 CO 0.00 0.18 3.06 0.47 -1.11 0.00 0.00 177.39 179.99 2ch0 n ASP 124 N 3.43 6.83 -0.09 1.96 8.00 -1.26 -4.29 116.55 131.12 2ch0 n ASP 124 Ca 0.21 -2.71 -0.13 0.00 0.71 0.00 0.00 54.79 52.87 2ch0 n ASP 124 Cb 0.24 -1.59 -0.09 0.00 -0.02 0.00 0.00 41.12 39.67 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 4.44 0.56 -0.87 -1.24 5.12 -1.26 -4.57 116.66 118.84 2ch0 n ARG 125 Ca 0.67 0.10 0.06 0.00 -1.93 0.00 0.00 57.85 56.75 2ch0 n ARG 125 Cb 0.29 -1.38 0.38 0.00 -1.16 0.00 0.00 32.46 30.59 2ch0 n ARG 125 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2ch0 n ARG 126 N -3.02 4.69 -3.53 5.56 1.74 -1.26 -4.88 116.66 115.95 2ch0 n ARG 126 Ca -0.33 -3.02 -0.13 0.00 -0.77 0.00 0.00 57.85 53.60 2ch0 n ARG 126 Cb 0.87 -2.24 -0.04 0.00 -1.02 0.00 0.00 32.46 30.03 2ch0 n ARG 126 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2ch0 s LEU 127 N -2.65 -0.22 0.31 0.55 2.96 -1.26 -5.20 118.68 113.17 2ch0 s LEU 127 Ca 0.52 0.13 -0.11 0.00 -0.22 0.00 0.00 54.13 54.45 2ch0 s LEU 127 Cb 0.40 2.27 0.01 0.00 0.50 0.00 0.00 46.19 49.37 2ch0 s LEU 127 CO 0.15 -0.79 0.57 -1.83 -1.32 0.00 0.00 176.35 173.13 2ch0 s GLU 128 N -2.83 1.84 0.12 1.98 -1.05 -1.26 -4.83 118.70 112.66 2ch0 s GLU 128 Ca -0.03 -1.41 0.05 0.00 -0.15 0.00 0.00 54.97 53.43 2ch0 s GLU 128 Cb -0.00 0.51 -0.04 0.00 -0.44 0.00 0.00 34.13 34.16 2ch0 s GLU 128 CO -0.05 -0.80 -0.13 -0.98 0.95 0.00 0.00 175.26 174.25 2ch0 s ARG 129 N -3.34 1.01 0.02 -4.83 1.04 -1.26 -5.14 118.95 106.46 2ch0 s ARG 129 Ca 0.22 -1.26 -0.30 0.00 -1.04 0.00 0.00 55.73 53.34 2ch0 s ARG 129 Cb -0.02 -0.83 -0.04 0.00 -2.04 0.00 0.00 34.95 32.02 2ch0 s ARG 129 CO 0.13 0.15 1.06 -1.25 -0.04 0.00 0.00 175.30 175.35 2ch0 s PRO 130 N -2.84 4.51 -0.21 3.89 0.04 -1.26 -5.03 135.00 134.10 2ch0 s PRO 130 Ca 0.10 1.56 -0.04 0.00 0.04 0.00 0.00 61.00 62.65 2ch0 s PRO 130 Cb -0.04 -3.42 0.09 0.00 0.04 0.00 0.00 34.50 31.18 2ch0 s PRO 130 CO 0.02 -0.13 0.21 -1.58 0.04 0.00 0.00 177.00 175.57 2ch0 s HIS 131 N 1.02 -0.22 0.00 0.56 2.46 -1.26 -4.95 115.29 112.89 2ch0 s HIS 131 Ca 0.55 0.11 0.00 0.00 0.47 0.00 0.00 55.06 56.18 2ch0 s HIS 131 Cb -0.24 -0.42 0.00 0.00 -0.13 0.00 0.00 32.58 31.79 2ch0 s HIS 131 CO 0.28 -0.62 0.00 0.54 -2.47 0.00 0.00 174.74 172.47 2ch0 n ARG 132 N 5.31 0.00 0.00 2.88 1.74 -1.26 -5.34 116.66 120.00 2ch0 n ARG 132 Ca -0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 2ch0 n ARG 132 Cb 0.49 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.93 2ch0 n ARG 132 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86