#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 -0.48 0.93 1.61 0.15 -1.26 -5.19 113.70 109.46 2ch0 s SER 2 Ca 0.00 0.70 -0.14 0.00 0.70 0.00 0.00 55.95 57.21 2ch0 s SER 2 Cb 0.00 0.72 0.16 0.00 -1.71 0.00 0.00 66.02 65.19 2ch0 s SER 2 CO 0.00 -0.38 1.22 -2.84 1.20 0.00 0.00 173.24 172.44 2ch0 s PRO 3 N -0.58 0.96 -0.01 5.44 0.02 -1.26 -5.04 135.00 134.54 2ch0 s PRO 3 Ca -0.07 -0.07 0.09 0.00 0.02 0.00 0.00 61.00 60.97 2ch0 s PRO 3 Cb -0.03 -1.85 -0.23 0.00 0.02 0.00 0.00 34.50 32.41 2ch0 s PRO 3 CO 0.04 -2.25 0.80 0.93 -0.33 0.00 0.00 177.00 176.19 2ch0 h GLU 4 N -1.53 0.04 0.00 5.54 4.39 -2.03 -3.49 114.58 117.50 2ch0 h GLU 4 Ca -0.46 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.17 2ch0 h GLU 4 Cb 1.29 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 2ch0 h GLU 4 CO 0.51 0.70 0.00 0.34 -1.16 0.00 0.00 179.01 179.40 2ch0 n PHE 5 N -3.17 0.00 -2.63 4.33 7.35 -1.26 -4.81 117.46 117.26 2ch0 n PHE 5 Ca -0.14 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.55 2ch0 n PHE 5 Cb 1.03 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.86 2ch0 n PHE 5 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 2ch0 n ARG 6 N 0.00 -3.18 0.00 -4.13 0.63 -1.26 -5.13 116.66 103.59 2ch0 n ARG 6 Ca 0.00 2.59 0.00 0.00 -0.92 0.00 0.00 57.85 59.52 2ch0 n ARG 6 Cb 0.00 -5.10 0.00 0.00 0.45 0.00 0.00 32.46 27.81 2ch0 n ARG 6 CO 0.00 0.00 0.00 -2.67 -2.51 0.00 0.00 177.63 172.45 2ch0 n TRP 7 N 0.58 0.00 0.04 -0.14 2.14 -1.26 -5.08 117.44 113.71 2ch0 n TRP 7 Ca 0.01 0.00 -0.12 0.00 2.07 0.00 0.00 57.50 59.46 2ch0 n TRP 7 Cb 0.03 0.00 -0.01 0.00 -0.81 0.00 0.00 31.31 30.53 2ch0 n TRP 7 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2ch0 h THR 8 N 0.00 1.35 0.00 -1.67 1.03 -2.03 -3.35 112.91 108.25 2ch0 h THR 8 Ca 0.00 -2.14 -0.12 0.00 -0.01 0.00 0.00 66.41 64.14 2ch0 h THR 8 Cb 0.00 2.12 -0.02 0.00 -1.07 0.00 0.00 68.15 69.19 2ch0 h THR 8 CO 0.00 0.65 -0.58 0.11 -0.01 0.00 0.00 175.52 175.70 2ch0 h LYS 9 N 0.34 0.00 0.00 0.00 1.57 -2.04 -3.31 116.57 113.13 2ch0 h LYS 9 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2ch0 h LYS 9 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.68 2ch0 h LYS 9 CO 0.14 0.58 0.18 1.49 -0.57 0.00 0.00 179.45 181.26 2ch0 h GLU 10 N 0.00 0.00 -0.06 3.15 4.81 -1.97 0.48 114.58 120.99 2ch0 h GLU 10 Ca -0.01 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 2ch0 h GLU 10 Cb 1.06 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 2ch0 h GLU 10 CO 0.07 0.00 -0.39 0.93 -0.73 0.00 0.00 179.01 178.89 2ch0 h GLU 11 N 0.00 0.13 -0.13 1.92 5.08 -1.80 -3.26 114.58 116.52 2ch0 h GLU 11 Ca 0.00 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 2ch0 h GLU 11 Cb 0.36 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2ch0 h GLU 11 CO 0.00 0.51 -0.29 0.93 -1.00 0.00 0.00 179.01 179.16 2ch0 h GLU 12 N 0.11 0.25 -0.23 2.33 5.08 -1.13 -0.32 114.58 120.67 2ch0 h GLU 12 Ca 0.01 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 2ch0 h GLU 12 Cb 0.74 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 2ch0 h GLU 12 CO 0.06 0.52 -0.01 0.93 -1.00 0.00 0.00 179.01 179.51 2ch0 h GLU 13 N 0.22 0.41 0.00 2.33 3.07 -1.70 -3.33 114.58 115.58 2ch0 h GLU 13 Ca 0.03 -0.14 -0.15 0.00 -0.50 0.00 0.00 59.36 58.60 2ch0 h GLU 13 Cb 0.63 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.48 2ch0 h GLU 13 CO 0.05 0.60 -0.74 1.79 -1.40 0.00 0.00 179.01 179.31 2ch0 h THR 14 N 0.17 1.47 -1.97 1.13 1.35 -1.61 -3.46 112.91 109.98 2ch0 h THR 14 Ca 0.06 -2.58 -0.51 0.00 -0.55 0.00 0.00 66.41 62.83 2ch0 h THR 14 Cb 0.43 2.42 -0.01 0.00 -1.73 0.00 0.00 68.15 69.25 2ch0 h THR 14 CO 0.01 0.72 1.46 -0.60 -0.25 0.00 0.00 175.52 176.87 2ch0 s ARG 15 N -3.22 2.62 0.00 4.72 3.52 -0.14 -1.68 118.95 124.77 2ch0 s ARG 15 Ca 0.00 1.24 0.00 0.00 -0.13 0.00 0.00 55.73 56.84 2ch0 s ARG 15 Cb 0.11 -4.42 0.00 0.00 -1.56 0.00 0.00 34.95 29.08 2ch0 s ARG 15 CO 0.78 -2.70 0.00 1.04 -0.81 0.00 0.00 175.30 173.61 2ch0 n GLN 16 N 8.93 0.00 0.08 5.12 6.02 -1.26 -4.98 117.38 131.30 2ch0 n GLN 16 Ca 0.28 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 57.24 2ch0 n GLN 16 Cb 0.51 0.00 0.18 0.00 1.02 0.00 0.00 30.24 31.96 2ch0 n GLN 16 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 2ch0 h MET 17 N 0.00 0.27 0.00 -1.09 2.86 -1.64 -3.38 114.93 111.95 2ch0 h MET 17 Ca 0.00 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 2ch0 h MET 17 Cb 0.00 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.67 2ch0 h MET 17 CO 0.00 0.68 0.35 1.88 1.06 0.00 0.00 176.91 180.88 2ch0 h TYR 18 N 0.22 0.00 0.00 -0.22 0.05 -1.94 -3.41 116.97 111.67 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 0.90 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.64 2ch0 h TYR 18 CO 0.02 0.00 0.00 -3.47 -1.05 0.00 0.00 178.16 173.66 2ch0 n ASP 19 N -2.38 0.00 0.14 3.88 2.03 -1.26 -0.27 116.55 118.68 2ch0 n ASP 19 Ca -0.01 0.16 0.01 0.00 0.52 0.00 0.00 54.79 55.47 2ch0 n ASP 19 Cb 0.38 -0.04 0.08 0.00 -0.72 0.00 0.00 41.12 40.83 2ch0 n ASP 19 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ch0 h MET 20 N 0.00 0.00 -0.00 -0.67 -0.00 -1.98 -3.36 114.93 108.92 2ch0 h MET 20 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 59.70 59.55 2ch0 h MET 20 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.58 2ch0 h MET 20 CO 0.00 0.57 -0.71 -0.24 -0.00 0.00 0.00 176.91 176.54 2ch0 h VAL 21 N 0.00 1.50 -0.93 -0.10 3.04 -1.72 -3.29 116.25 114.75 2ch0 h VAL 21 Ca -0.01 -2.41 0.25 0.00 -1.01 0.00 0.00 66.70 63.52 2ch0 h VAL 21 Cb 1.32 2.30 -0.05 0.00 -2.01 0.00 0.00 31.29 32.85 2ch0 h VAL 21 CO 0.07 0.69 0.64 1.62 -1.01 0.00 0.00 177.57 179.59 2ch0 h VAL 22 N 0.01 0.58 -0.27 1.51 3.04 -0.79 0.22 116.25 120.55 2ch0 h VAL 22 Ca -0.01 -0.07 -0.08 0.00 -1.01 0.00 0.00 66.70 65.54 2ch0 h VAL 22 Cb 1.25 0.38 -0.01 0.00 -2.01 0.00 0.00 31.29 30.90 2ch0 h VAL 22 CO 0.09 0.03 -0.14 0.11 -1.01 0.00 0.00 177.57 176.66 2ch0 h LYS 23 N 0.19 0.58 0.01 4.17 6.56 -1.82 -2.41 116.57 123.85 2ch0 h LYS 23 Ca 0.47 -0.26 -0.24 0.00 -1.06 0.00 0.00 60.65 59.57 2ch0 h LYS 23 Cb 1.53 -0.01 0.01 0.00 -0.57 0.00 0.00 32.23 33.19 2ch0 h LYS 23 CO -0.10 0.83 -0.99 0.82 -2.06 0.00 0.00 179.45 177.94 2ch0 h ILE 24 N 0.31 1.38 -0.04 1.86 2.04 -1.33 -1.02 117.51 120.72 2ch0 h ILE 24 Ca 0.06 -2.44 -0.07 0.00 1.00 0.00 0.00 64.86 63.40 2ch0 h ILE 24 Cb 0.66 2.45 -0.01 0.00 -0.74 0.00 0.00 36.82 39.18 2ch0 h ILE 24 CO 0.04 0.73 -0.33 0.16 0.00 0.00 0.00 178.15 178.76 2ch0 h ILE 25 N 0.25 1.25 -0.10 -0.67 3.07 -0.77 -1.55 117.51 119.00 2ch0 h ILE 25 Ca -0.10 -1.19 -0.02 0.00 1.55 0.00 0.00 64.86 65.10 2ch0 h ILE 25 Cb 1.64 1.59 -0.00 0.00 -0.27 0.00 0.00 36.82 39.78 2ch0 h ILE 25 CO 0.18 0.34 -0.03 -0.78 -1.05 0.00 0.00 178.15 176.81 2ch0 h ASP 26 N 0.06 0.20 -0.22 2.16 3.58 -1.40 -1.30 116.42 119.50 2ch0 h ASP 26 Ca 0.01 -0.38 0.06 0.00 0.42 0.00 0.00 57.03 57.14 2ch0 h ASP 26 Cb 0.61 -0.06 -0.07 0.00 1.72 0.00 0.00 39.33 41.54 2ch0 h ASP 26 CO 0.04 0.53 -0.31 0.58 -2.88 0.00 0.00 179.24 177.21 2ch0 h VAL 27 N -0.13 0.28 0.12 2.25 2.07 -0.90 -1.96 116.25 117.98 2ch0 h VAL 27 Ca 0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 2ch0 h VAL 27 Cb 0.45 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2ch0 h VAL 27 CO 0.01 0.00 -0.06 -0.07 0.02 0.00 0.00 177.57 177.47 2ch0 h LEU 28 N -0.33 -0.14 -2.11 2.57 -0.00 -1.38 -2.77 115.31 111.15 2ch0 h LEU 28 Ca 0.12 -0.39 0.04 0.00 -0.00 0.00 0.00 57.88 57.65 2ch0 h LEU 28 Cb 0.53 0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 41.22 2ch0 h LEU 28 CO -0.41 0.37 0.11 -0.09 -0.00 0.00 0.00 178.44 178.42 2ch0 h ARG 29 N -0.70 0.00 0.02 1.13 2.43 -1.29 -2.38 114.38 113.59 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 30.08 2ch0 h ARG 29 CO 0.03 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 -0.12 -3.80 0.02 -1.45 -3.32 113.55 104.85 2ch0 h SER 30 Ca 0.06 -0.68 -0.04 0.00 -0.84 0.00 0.00 61.79 60.29 2ch0 h SER 30 Cb 0.27 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 2ch0 h SER 30 CO -0.00 0.78 -0.03 0.45 -1.14 0.00 0.00 176.83 176.89 2ch0 h HIS 31 N -0.95 0.37 -0.80 3.45 3.86 -1.52 -3.18 115.15 116.38 2ch0 h HIS 31 Ca -0.00 -0.03 0.09 0.00 -1.16 0.00 0.00 60.37 59.27 2ch0 h HIS 31 Cb 0.70 -0.11 -0.07 0.00 1.06 0.00 0.00 27.41 28.99 2ch0 h HIS 31 CO 0.19 0.40 0.45 -0.91 0.86 0.00 0.00 177.93 178.92 2ch0 h ASN 32 N 0.35 0.65 -0.39 2.45 2.35 -1.56 -1.87 115.58 117.56 2ch0 h ASN 32 Ca 0.08 0.05 -0.11 0.00 -0.55 0.00 0.00 56.30 55.77 2ch0 h ASN 32 Cb 0.28 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 2ch0 h ASN 32 CO 0.01 0.37 -0.14 1.05 -1.65 0.00 0.00 177.43 177.07 2ch0 h GLU 33 N 0.77 0.85 0.00 0.81 -0.00 -1.65 -2.00 114.58 113.36 2ch0 h GLU 33 Ca 0.38 -0.31 -0.08 0.00 -0.00 0.00 0.00 59.36 59.35 2ch0 h GLU 33 Cb 0.34 -0.06 -0.01 0.00 -0.00 0.00 0.00 28.75 29.02 2ch0 h GLU 33 CO -0.24 0.94 -0.40 0.00 -0.00 0.00 0.00 179.01 179.31 2ch0 h ALA 34 N 1.07 0.96 0.08 1.06 0.00 -1.71 -3.35 119.26 117.36 2ch0 h ALA 34 Ca 0.12 -0.37 -0.28 0.00 0.00 0.00 0.00 54.91 54.39 2ch0 h ALA 34 Cb 0.66 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.41 2ch0 h ALA 34 CO 0.05 0.50 -1.16 0.00 0.00 0.00 0.00 179.25 178.64 2ch0 n GLN 36 N -3.76 0.14 0.14 0.00 -0.00 -0.82 -2.83 117.38 110.24 2ch0 n GLN 36 Ca -0.11 0.35 -0.24 0.00 -0.00 0.00 0.00 57.00 57.00 2ch0 n GLN 36 Cb 0.95 -1.76 -0.16 0.00 -0.00 0.00 0.00 30.24 29.27 2ch0 n GLN 36 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 2ch0 h GLU 37 N 0.00 0.52 0.00 2.61 4.57 -1.73 -3.39 114.58 117.16 2ch0 h GLU 37 Ca 0.00 -0.89 -0.46 0.00 -1.18 0.00 0.00 59.36 56.83 2ch0 h GLU 37 Cb 0.36 0.33 -0.01 0.00 -0.16 0.00 0.00 28.75 29.26 2ch0 h GLU 37 CO 0.00 1.43 -0.16 0.09 -1.18 0.00 0.00 179.01 179.19 2ch0 n ASN 38 N -3.70 2.20 0.06 1.04 3.02 -1.13 -4.32 115.26 112.44 2ch0 n ASN 38 Ca -0.17 -2.48 -0.03 0.00 -0.03 0.00 0.00 54.58 51.87 2ch0 n ASN 38 Cb 1.10 -0.17 -0.01 0.00 -0.61 0.00 0.00 39.78 40.09 2ch0 n ASN 38 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 2ch0 h LYS 39 N 0.00 -0.17 -2.45 3.52 5.09 -1.91 -3.46 116.57 117.18 2ch0 h LYS 39 Ca -0.27 0.01 -0.09 0.00 0.09 0.00 0.00 60.65 60.39 2ch0 h LYS 39 Cb 1.07 0.04 -0.27 0.00 0.10 0.00 0.00 32.23 33.17 2ch0 h LYS 39 CO 0.41 -0.11 -0.36 0.16 -2.09 0.00 0.00 179.45 177.45 2ch0 s ASP 40 N -3.15 -0.28 0.56 7.07 1.47 -1.26 -4.80 116.67 116.28 2ch0 s ASP 40 Ca -0.03 0.98 0.35 0.00 1.18 0.00 0.00 52.55 55.03 2ch0 s ASP 40 Cb 0.00 1.39 1.50 0.00 -0.34 0.00 0.00 42.92 45.48 2ch0 s ASP 40 CO 0.08 -0.23 2.04 0.17 0.68 0.00 0.00 175.17 177.90 2ch0 h LEU 41 N 8.16 0.00 -3.96 2.11 8.10 -1.88 -3.35 115.31 124.48 2ch0 h LEU 41 Ca -0.16 0.00 -0.60 0.00 0.11 0.00 0.00 57.88 57.23 2ch0 h LEU 41 Cb 1.11 0.00 -0.30 0.00 -0.44 0.00 0.00 40.66 41.03 2ch0 h LEU 41 CO 0.13 0.02 0.70 0.00 -4.11 0.00 0.00 178.44 175.17 2ch0 n GLN 42 N -3.13 2.56 -0.54 0.17 1.13 -1.26 -5.01 117.38 111.31 2ch0 n GLN 42 Ca -0.00 -3.24 0.45 0.00 -1.94 0.00 0.00 57.00 52.27 2ch0 n GLN 42 Cb 0.28 -2.24 0.71 0.00 0.11 0.00 0.00 30.24 29.10 2ch0 n GLN 42 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 2ch0 h PRO 43 N 1.65 0.00 -1.86 -1.09 0.11 -1.93 -3.21 132.00 125.68 2ch0 h PRO 43 Ca 0.59 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.71 2ch0 h PRO 43 Cb 1.53 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.41 2ch0 h PRO 43 CO 1.36 0.00 0.22 0.71 -0.21 0.00 0.00 178.00 180.08 2ch0 s TYR 44 N -4.74 -0.73 0.06 0.65 2.02 -1.26 -4.51 117.35 108.84 2ch0 s TYR 44 Ca -0.04 1.70 -0.06 0.00 -0.37 0.00 0.00 57.07 58.29 2ch0 s TYR 44 Cb 0.23 0.36 -0.01 0.00 -0.40 0.00 0.00 41.96 42.13 2ch0 s TYR 44 CO 0.76 -0.35 0.12 0.00 -1.57 0.00 0.00 175.55 174.51 2ch0 s MET 45 N 0.60 0.71 1.02 -0.62 0.23 -0.90 -5.02 119.30 115.32 2ch0 s MET 45 Ca -0.01 -0.90 -0.17 0.00 -1.03 0.00 0.00 55.69 53.57 2ch0 s MET 45 Cb -0.05 0.28 0.23 0.00 -1.53 0.00 0.00 34.83 33.76 2ch0 s MET 45 CO -0.05 -0.20 1.29 -1.25 -2.03 0.00 0.00 175.02 172.79 2ch0 s PRO 46 N -3.34 0.17 0.04 3.16 0.04 -1.26 -1.83 135.00 131.98 2ch0 s PRO 46 Ca 0.01 -0.39 -0.26 0.00 0.04 0.00 0.00 61.00 60.40 2ch0 s PRO 46 Cb 0.03 -1.79 -0.17 0.00 0.04 0.00 0.00 34.50 32.61 2ch0 s PRO 46 CO -0.08 -2.73 1.47 0.82 0.04 0.00 0.00 177.00 176.52 2ch0 h ILE 47 N -1.87 0.88 0.00 0.56 1.08 -1.92 -2.45 117.51 113.79 2ch0 h ILE 47 Ca -0.44 -0.41 0.00 0.00 -0.39 0.00 0.00 64.86 63.62 2ch0 h ILE 47 Cb 1.24 1.13 0.00 0.00 -3.07 0.00 0.00 36.82 36.12 2ch0 h ILE 47 CO 0.35 0.09 0.39 -0.81 -0.69 0.00 0.00 178.15 177.48 2ch0 n PRO 48 N -5.11 0.07 -0.08 2.37 -0.04 -1.26 -0.40 135.00 130.54 2ch0 n PRO 48 Ca -0.09 0.53 -0.07 0.00 -0.04 0.00 0.00 63.50 63.83 2ch0 n PRO 48 Cb 0.20 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 2ch0 n PRO 48 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2ch0 h HIS 49 N 0.00 0.04 0.01 0.54 -0.00 -1.79 1.14 115.15 115.09 2ch0 h HIS 49 Ca 0.00 0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.30 2ch0 h HIS 49 Cb 0.77 0.03 0.01 0.00 -0.00 0.00 0.00 27.41 28.22 2ch0 h HIS 49 CO 0.00 -0.02 -0.36 0.28 -0.00 0.00 0.00 177.93 177.83 2ch0 h VAL 50 N 0.13 1.54 0.00 5.26 2.07 -1.70 -2.33 116.25 121.22 2ch0 h VAL 50 Ca 0.15 -2.07 -0.05 0.00 0.82 0.00 0.00 66.70 65.54 2ch0 h VAL 50 Cb 0.18 2.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.77 2ch0 h VAL 50 CO -0.22 0.57 -0.24 0.03 0.02 0.00 0.00 177.57 177.73 2ch0 h ARG 51 N -0.45 0.00 0.01 1.57 3.08 -0.70 -2.72 114.38 115.17 2ch0 h ARG 51 Ca -0.05 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.81 2ch0 h ARG 51 Cb 1.14 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.17 2ch0 h ARG 51 CO 0.07 0.24 -0.89 0.38 -1.07 0.00 0.00 179.97 178.70 2ch0 h ASP 52 N 0.00 0.06 0.00 7.04 3.04 0.12 -3.39 116.42 123.29 2ch0 h ASP 52 Ca -0.00 -0.05 0.00 0.00 -3.24 0.00 0.00 57.03 53.74 2ch0 h ASP 52 Cb 0.55 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 38.82 2ch0 h ASP 52 CO 0.03 0.91 0.13 0.28 -2.04 0.00 0.00 179.24 178.55 2ch0 h SER 53 N 0.02 0.00 0.73 4.15 0.02 -1.07 -2.45 113.55 114.95 2ch0 h SER 53 Ca -0.02 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 2ch0 h SER 53 Cb 1.56 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.09 2ch0 h SER 53 CO 0.12 0.00 -0.14 0.17 -1.14 0.00 0.00 176.83 175.84 2ch0 h LEU 54 N 0.00 0.00 -7.08 5.07 -0.00 -1.75 -3.43 115.31 108.11 2ch0 h LEU 54 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 2ch0 h LEU 54 Cb 0.25 0.00 -0.23 0.00 -0.00 0.00 0.00 40.66 40.68 2ch0 h LEU 54 CO 0.00 0.14 -0.16 -0.63 -0.00 0.00 0.00 178.44 177.79 2ch0 s ILE 55 N -3.83 -0.33 0.06 0.15 1.09 -0.92 -5.01 121.20 112.39 2ch0 s ILE 55 Ca -0.01 0.05 -0.19 0.00 -1.10 0.00 0.00 60.65 59.41 2ch0 s ILE 55 Cb 0.11 -0.84 -0.12 0.00 -1.06 0.00 0.00 42.46 40.55 2ch0 s ILE 55 CO 0.59 0.02 1.39 1.56 -0.10 0.00 0.00 174.94 178.40 2ch0 h GLN 56 N 7.45 0.42 0.00 2.79 7.50 -1.84 -3.36 115.11 128.07 2ch0 h GLN 56 Ca -0.27 -0.21 0.00 0.00 0.50 0.00 0.00 58.65 58.68 2ch0 h GLN 56 Cb 1.17 -0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.70 2ch0 h GLN 56 CO 0.18 0.76 0.00 -0.35 -1.50 0.00 0.00 178.83 177.91 2ch0 n PRO 57 N -4.52 0.00 0.13 1.46 -0.04 -1.26 -4.79 135.00 125.98 2ch0 n PRO 57 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 2ch0 n PRO 57 Cb 0.36 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 33.92 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 -0.11 0.54 -0.00 -2.03 -3.20 115.15 110.35 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 0.62 0.00 -0.25 -0.00 0.00 0.00 177.93 178.30 2ch0 n ASP 59 N -3.44 0.79 -0.13 3.26 8.00 -1.26 -4.60 116.55 119.16 2ch0 n ASP 59 Ca 0.00 -1.73 -0.10 0.00 0.71 0.00 0.00 54.79 53.68 2ch0 n ASP 59 Cb 0.70 -0.07 -0.04 0.00 -0.02 0.00 0.00 41.12 41.69 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 0.97 -0.30 0.00 -1.24 -0.00 -1.71 -2.51 114.38 109.59 2ch0 h ARG 60 Ca 0.00 0.02 -0.03 0.00 -0.00 0.00 0.00 59.98 59.97 2ch0 h ARG 60 Cb 0.22 0.07 -0.00 0.00 -0.00 0.00 0.00 29.97 30.25 2ch0 h ARG 60 CO 0.00 -0.20 -0.16 -0.22 -0.00 0.00 0.00 179.97 179.38 2ch0 h LYS 61 N -0.31 0.00 0.00 0.08 3.11 -1.84 -3.35 116.57 114.25 2ch0 h LYS 61 Ca 0.14 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.98 2ch0 h LYS 61 Cb 0.58 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.81 2ch0 h LYS 61 CO -0.58 0.16 0.38 1.57 -2.81 0.00 0.00 179.45 178.17 2ch0 h LYS 62 N 0.00 0.00 -0.06 1.90 2.10 -1.78 0.22 116.57 118.95 2ch0 h LYS 62 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2ch0 h LYS 62 Cb 0.50 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 2ch0 h LYS 62 CO 0.02 0.00 0.00 -1.33 -2.00 0.00 0.00 179.45 176.14 2ch0 n MET 63 N -2.55 0.83 0.13 0.07 2.81 -1.26 -4.62 117.12 112.53 2ch0 n MET 63 Ca -0.01 -1.15 -0.02 0.00 -1.81 0.00 0.00 57.70 54.71 2ch0 n MET 63 Cb 0.41 -1.12 0.17 0.00 -0.71 0.00 0.00 33.22 31.97 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 1.08 0.05 0.00 0.03 3.64 -0.74 -1.38 116.57 119.25 2ch0 h LYS 64 Ca 0.00 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.23 2ch0 h LYS 64 Cb 0.36 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 2ch0 h LYS 64 CO 0.00 0.64 -0.57 0.87 -2.27 0.00 0.00 179.45 178.12 2ch0 h LYS 65 N 0.04 0.00 -0.03 1.90 1.79 -1.80 -3.08 116.57 115.38 2ch0 h LYS 65 Ca -0.01 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.30 2ch0 h LYS 65 Cb 1.08 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.72 2ch0 h LYS 65 CO 0.08 0.57 -0.72 0.28 -1.08 0.00 0.00 179.45 178.58 2ch0 h VAL 66 N 0.00 1.45 -0.74 0.50 2.07 -1.78 -3.31 116.25 114.44 2ch0 h VAL 66 Ca -0.01 -2.29 0.18 0.00 0.82 0.00 0.00 66.70 65.40 2ch0 h VAL 66 Cb 1.03 2.23 -0.04 0.00 -1.52 0.00 0.00 31.29 32.98 2ch0 h VAL 66 CO 0.07 0.67 0.51 -0.25 0.02 0.00 0.00 177.57 178.59 2ch0 h TRP 67 N 0.12 0.29 -0.68 1.57 2.91 -1.15 -0.98 115.95 118.03 2ch0 h TRP 67 Ca -0.02 0.01 0.09 0.00 1.13 0.00 0.00 58.89 60.10 2ch0 h TRP 67 Cb 1.28 -0.09 -0.07 0.00 -0.51 0.00 0.00 29.16 29.77 2ch0 h TRP 67 CO 0.02 0.10 0.33 -0.44 -1.03 0.00 0.00 178.44 177.42 2ch0 h ASP 68 N 0.24 0.42 0.05 2.65 3.32 -1.67 -1.83 116.42 119.59 2ch0 h ASP 68 Ca 0.36 0.06 -0.14 0.00 0.02 0.00 0.00 57.03 57.33 2ch0 h ASP 68 Cb 1.07 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 40.63 2ch0 h ASP 68 CO -0.08 0.24 -0.58 -0.09 -1.72 0.00 0.00 179.24 177.01 2ch0 h ARG 69 N 0.56 0.31 -0.95 3.56 9.65 -1.57 -3.40 114.38 122.55 2ch0 h ARG 69 Ca 0.33 -0.40 0.17 0.00 -1.10 0.00 0.00 59.98 58.98 2ch0 h ARG 69 Cb 0.35 0.13 -0.08 0.00 -1.39 0.00 0.00 29.97 28.97 2ch0 h ARG 69 CO -0.26 1.11 0.60 0.00 2.80 0.00 0.00 179.97 184.22 2ch0 h ALA 70 N 0.22 1.83 -0.89 2.80 0.00 -0.82 -1.74 119.26 120.66 2ch0 h ALA 70 Ca -0.09 0.04 0.21 0.00 0.00 0.00 0.00 54.91 55.07 2ch0 h ALA 70 Cb 1.35 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 2ch0 h ALA 70 CO 0.11 -0.13 0.60 0.28 0.00 0.00 0.00 179.25 180.11 2ch0 h VAL 71 N 0.69 0.66 -0.89 0.00 2.07 -1.55 -1.97 116.25 115.26 2ch0 h VAL 71 Ca 0.50 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.95 2ch0 h VAL 71 Cb 0.85 0.29 -0.06 0.00 -1.52 0.00 0.00 31.29 30.86 2ch0 h VAL 71 CO -0.26 0.06 0.57 -0.78 0.02 0.00 0.00 177.57 177.18 2ch0 h ASP 72 N 0.34 0.93 0.21 0.57 3.58 -1.54 -0.21 116.42 120.29 2ch0 h ASP 72 Ca 0.46 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.90 2ch0 h ASP 72 Cb 1.24 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 42.09 2ch0 h ASP 72 CO -0.15 0.62 -0.10 -0.26 -2.88 0.00 0.00 179.24 176.47 2ch0 h PHE 73 N 1.08 -0.26 -0.21 0.28 0.04 -1.57 -3.34 116.94 112.96 2ch0 h PHE 73 Ca 0.37 -0.01 0.06 0.00 2.80 0.00 0.00 57.97 61.19 2ch0 h PHE 73 Cb 0.07 0.09 -0.07 0.00 2.20 0.00 0.00 35.95 38.23 2ch0 h PHE 73 CO -0.02 0.11 -0.30 1.25 -0.60 0.00 0.00 178.31 178.75 2ch0 h LEU 74 N -0.71 -0.96 -0.40 1.54 5.85 -1.16 -3.23 115.31 116.24 2ch0 h LEU 74 Ca -0.03 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2ch0 h LEU 74 Cb 0.49 0.42 0.00 0.00 0.37 0.00 0.00 40.66 41.95 2ch0 h LEU 74 CO 0.05 -0.33 0.00 0.00 -0.34 0.00 0.00 178.44 177.82 2ch0 n ALA 75 N -2.86 1.59 0.94 1.25 0.00 -0.11 0.72 120.51 122.04 2ch0 n ALA 75 Ca -0.02 0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.58 2ch0 n ALA 75 Cb 0.32 -1.30 0.35 0.00 0.00 0.00 0.00 19.45 18.82 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 -1.64 3.09 0.00 0.00 0.00 -1.22 -4.63 120.51 116.11 2ch0 n ALA 76 Ca 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2ch0 n ALA 76 Cb 0.18 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.39 2ch0 n ALA 76 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2ch0 n ASN 77 N -1.60 0.00 -3.80 0.00 2.04 -0.81 -4.93 115.26 106.16 2ch0 n ASN 77 Ca 0.06 0.00 -0.13 0.00 -0.44 0.00 0.00 54.58 54.07 2ch0 n ASN 77 Cb 0.35 0.00 -0.11 0.00 -2.53 0.00 0.00 39.78 37.49 2ch0 n ASN 77 CO 0.00 0.00 0.00 -0.70 -0.44 0.00 0.00 177.26 176.12 2ch0 s GLU 78 N -0.40 0.34 -0.49 -3.83 2.12 0.22 -5.05 118.70 111.62 2ch0 s GLU 78 Ca 0.00 0.21 0.06 0.00 0.36 0.00 0.00 54.97 55.61 2ch0 s GLU 78 Cb 0.00 0.16 0.22 0.00 0.26 0.00 0.00 34.13 34.77 2ch0 s GLU 78 CO 0.00 -0.06 0.77 0.45 -0.54 0.00 0.00 175.26 175.89 2ch0 n SER 79 N 2.64 -2.67 -2.00 -1.70 2.88 -1.26 -4.05 113.62 107.46 2ch0 n SER 79 Ca -0.15 -3.07 -0.21 0.00 -1.33 0.00 0.00 58.87 54.11 2ch0 n SER 79 Cb 0.58 1.45 0.09 0.00 -0.75 0.00 0.00 64.21 65.58 2ch0 n SER 79 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2ch0 n ARG 80 N 2.11 2.07 -3.62 -1.46 3.00 -1.26 -4.75 116.66 112.75 2ch0 n ARG 80 Ca 0.14 -2.27 -0.13 0.00 -0.00 0.00 0.00 57.85 55.59 2ch0 n ARG 80 Cb 0.59 -1.89 -0.06 0.00 0.00 0.00 0.00 32.46 31.10 2ch0 n ARG 80 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2ch0 s VAL 81 N -2.96 0.04 -0.08 5.15 1.01 -1.26 -4.57 120.40 117.73 2ch0 s VAL 81 Ca 0.44 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 61.95 2ch0 s VAL 81 Cb 0.36 -0.97 -0.05 0.00 0.00 0.00 0.00 36.38 35.72 2ch0 s VAL 81 CO 0.03 -0.20 0.26 -0.60 0.00 0.00 0.00 175.10 174.59 2ch0 s ARG 82 N -2.50 3.75 -0.19 2.72 3.52 0.30 -4.87 118.95 121.67 2ch0 s ARG 82 Ca -0.05 0.10 -0.11 0.00 -0.13 0.00 0.00 55.73 55.54 2ch0 s ARG 82 Cb -0.01 -3.24 -0.05 0.00 -1.56 0.00 0.00 34.95 30.09 2ch0 s ARG 82 CO -0.02 0.66 0.18 0.99 -0.81 0.00 0.00 175.30 176.30 2ch0 s THR 83 N -0.81 5.38 -0.02 4.11 2.01 -1.26 -0.93 115.64 124.12 2ch0 s THR 83 Ca 0.18 0.30 -0.08 0.00 0.31 0.00 0.00 61.69 62.40 2ch0 s THR 83 Cb -0.14 -3.52 0.01 0.00 0.01 0.00 0.00 72.50 68.86 2ch0 s THR 83 CO 0.07 0.42 0.16 -0.70 -0.69 0.00 0.00 174.62 173.88 2ch0 s GLU 84 N 0.45 0.44 -0.33 4.92 2.12 -1.07 -5.03 118.70 120.19 2ch0 s GLU 84 Ca 0.10 -0.23 -0.13 0.00 0.36 0.00 0.00 54.97 55.07 2ch0 s GLU 84 Cb -0.12 0.19 -0.02 0.00 0.26 0.00 0.00 34.13 34.44 2ch0 s GLU 84 CO 0.00 -0.10 0.27 0.99 -0.54 0.00 0.00 175.26 175.89 2ch0 s THR 85 N -1.04 5.25 0.05 -1.70 2.01 -1.26 -1.86 115.64 117.09 2ch0 s THR 85 Ca -0.11 -0.05 0.04 0.00 0.31 0.00 0.00 61.69 61.88 2ch0 s THR 85 Cb -0.06 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 68.71 2ch0 s THR 85 CO 0.02 0.01 -0.13 -0.60 -0.69 0.00 0.00 174.62 173.23 2ch0 s ARG 86 N 1.83 0.80 -0.25 4.92 6.06 -0.71 -4.93 118.95 126.66 2ch0 s ARG 86 Ca 0.08 -0.81 -0.21 0.00 -2.50 0.00 0.00 55.73 52.29 2ch0 s ARG 86 Cb -0.17 -0.77 -0.02 0.00 0.06 0.00 0.00 34.95 34.05 2ch0 s ARG 86 CO 0.11 0.18 0.65 0.50 -2.50 0.00 0.00 175.30 174.23 2ch0 s ARG 87 N -1.40 4.12 -0.07 5.12 3.52 -1.26 -2.38 118.95 126.59 2ch0 s ARG 87 Ca -0.02 0.59 -0.00 0.00 -0.13 0.00 0.00 55.73 56.16 2ch0 s ARG 87 Cb -0.09 -3.65 0.03 0.00 -1.56 0.00 0.00 34.95 29.68 2ch0 s ARG 87 CO 0.01 -0.41 -0.03 0.96 -0.81 0.00 0.00 175.30 175.03 2ch0 s ILE 88 N 2.50 0.54 -1.47 4.11 -0.00 0.83 -4.78 121.20 122.93 2ch0 s ILE 88 Ca 0.27 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.90 2ch0 s ILE 88 Cb -0.15 -0.63 0.00 0.00 -0.00 0.00 0.00 42.46 41.67 2ch0 s ILE 88 CO 0.08 0.27 0.00 0.61 -0.00 0.00 0.00 174.94 175.90 2ch0 n GLY 89 N 4.80 1.13 1.39 6.27 0.00 -1.26 -1.93 105.19 115.59 2ch0 n GLY 89 Ca -0.13 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.16 0.64 3.01 -0.02 0.00 -1.26 -5.08 105.19 101.32 2ch0 n GLY 90 Ca -0.15 -0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 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 0.91 -0.43 4.61 0.00 -0.81 -5.09 121.76 118.95 2ch0 s ALA 91 Ca 0.00 -0.37 -0.20 0.00 0.00 0.00 0.00 51.96 51.40 2ch0 s ALA 91 Cb 0.00 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.82 2ch0 s ALA 91 CO 0.00 0.15 0.57 0.34 0.00 0.00 0.00 175.76 176.83 2ch0 s ASP 92 N 0.15 6.28 0.36 0.00 2.15 -1.26 -0.12 116.67 124.23 2ch0 s ASP 92 Ca -0.03 -0.43 0.05 0.00 0.43 0.00 0.00 52.55 52.58 2ch0 s ASP 92 Cb -0.08 -2.29 -0.07 0.00 -0.30 0.00 0.00 42.92 40.18 2ch0 s ASP 92 CO 0.01 -0.70 0.04 -0.36 -0.17 0.00 0.00 175.17 173.98 2ch0 s PHE 93 N 2.59 2.17 -0.15 -5.34 0.08 -1.00 -4.91 117.98 111.41 2ch0 s PHE 93 Ca 0.19 -0.85 -0.14 0.00 0.12 0.00 0.00 56.93 56.24 2ch0 s PHE 93 Cb -0.15 -1.47 -0.05 0.00 -0.57 0.00 0.00 43.02 40.78 2ch0 s PHE 93 CO 0.17 0.17 0.32 -1.17 -0.10 0.00 0.00 175.22 174.61 2ch0 s LEU 94 N -3.58 4.25 0.16 -0.37 2.96 -1.26 -1.74 118.68 119.09 2ch0 s LEU 94 Ca 0.35 0.55 0.06 0.00 -0.22 0.00 0.00 54.13 54.87 2ch0 s LEU 94 Cb 0.09 -2.42 -0.04 0.00 0.50 0.00 0.00 46.19 44.31 2ch0 s LEU 94 CO 0.16 0.08 -0.12 0.68 -1.32 0.00 0.00 176.35 175.84 2ch0 s VAL 95 N 0.50 1.36 -0.06 1.68 -7.23 -0.78 -4.40 120.40 111.47 2ch0 s VAL 95 Ca 0.18 -2.07 0.04 0.00 -1.81 0.00 0.00 61.98 58.33 2ch0 s VAL 95 Cb -0.13 -1.87 -0.02 0.00 0.56 0.00 0.00 36.38 34.92 2ch0 s VAL 95 CO 0.05 -0.66 -0.18 0.26 -0.31 0.00 0.00 175.10 174.26 2ch0 s TRP 96 N -3.08 2.61 0.04 2.82 0.51 -0.76 -2.60 118.94 118.49 2ch0 s TRP 96 Ca 0.17 -0.36 -0.01 0.00 -2.12 0.00 0.00 56.10 53.78 2ch0 s TRP 96 Cb 0.01 -1.63 -0.03 0.00 -0.81 0.00 0.00 33.47 31.00 2ch0 s TRP 96 CO 0.03 0.03 -0.02 0.50 -0.51 0.00 0.00 176.95 176.98 2ch0 s ARG 97 N -0.48 0.56 -0.02 4.98 3.52 -0.10 -2.13 118.95 125.28 2ch0 s ARG 97 Ca 0.06 -1.07 -0.27 0.00 -0.13 0.00 0.00 55.73 54.32 2ch0 s ARG 97 Cb -0.12 0.19 -0.03 0.00 -1.56 0.00 0.00 34.95 33.43 2ch0 s ARG 97 CO 0.01 -0.10 0.86 -0.46 -0.81 0.00 0.00 175.30 174.80 2ch0 s TRP 98 N -3.36 3.63 -0.08 5.12 -0.11 -1.21 -0.54 118.94 122.39 2ch0 s TRP 98 Ca 0.02 1.51 0.03 0.00 1.22 0.00 0.00 56.10 58.88 2ch0 s TRP 98 Cb 0.04 -2.98 0.01 0.00 -1.50 0.00 0.00 33.47 29.04 2ch0 s TRP 98 CO -0.08 0.05 -0.17 0.96 -4.62 0.00 0.00 176.95 173.08 2ch0 s ILE 99 N 0.85 1.56 -0.27 5.86 -4.36 -1.26 -4.86 121.20 118.72 2ch0 s ILE 99 Ca 0.45 -0.72 0.02 0.00 -0.26 0.00 0.00 60.65 60.14 2ch0 s ILE 99 Cb -0.20 -1.38 0.07 0.00 1.25 0.00 0.00 42.46 42.20 2ch0 s ILE 99 CO 0.24 0.45 -0.03 0.00 0.24 0.00 0.00 174.94 175.84 2ch0 s GLN 100 N 0.55 1.61 0.41 0.37 1.03 -1.26 -4.47 119.66 117.91 2ch0 s GLN 100 Ca -0.16 -1.23 -0.25 0.00 0.04 0.00 0.00 55.36 53.77 2ch0 s GLN 100 Cb -0.17 -2.69 -0.08 0.00 0.03 0.00 0.00 33.01 30.10 2ch0 s GLN 100 CO 0.06 -0.70 1.17 -2.14 -2.54 0.00 0.00 175.29 171.14 2ch0 s PRO 101 N 1.28 3.99 0.00 9.60 0.02 -1.26 -4.77 135.00 143.86 2ch0 s PRO 101 Ca -0.02 1.83 0.00 0.00 0.02 0.00 0.00 61.00 62.84 2ch0 s PRO 101 Cb -0.19 -2.62 0.00 0.00 0.02 0.00 0.00 34.50 31.71 2ch0 s PRO 101 CO -0.08 -0.37 0.00 -1.13 -0.33 0.00 0.00 177.00 175.09 2ch0 n SER 102 N -0.04 0.00 0.00 2.53 3.41 -1.26 -4.87 113.62 113.39 2ch0 n SER 102 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2ch0 n SER 102 Cb 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 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 -1.66 0.00 -0.05 7.33 0.00 -1.26 -4.26 120.51 120.61 2ch0 n ALA 103 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 2ch0 n ALA 103 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 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 0.05 2.01 -4.52 0.00 7.64 -1.26 -4.39 113.62 113.15 2ch0 n SER 104 Ca 0.00 0.28 -0.43 0.00 1.01 0.00 0.00 58.87 59.73 2ch0 n SER 104 Cb 0.00 -0.88 -0.01 0.00 -1.01 0.00 0.00 64.21 62.31 2ch0 n SER 104 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ch0 s ASP 106 N 3.73 1.14 0.24 0.00 2.15 -1.26 -4.87 116.67 117.79 2ch0 s ASP 106 Ca 0.46 -0.19 -0.18 0.00 0.43 0.00 0.00 52.55 53.07 2ch0 s ASP 106 Cb -0.00 -0.12 0.02 0.00 -0.30 0.00 0.00 42.92 42.52 2ch0 s ASP 106 CO 0.01 0.11 0.59 -1.59 -0.17 0.00 0.00 175.17 174.12 2ch0 s LYS 107 N -0.27 1.57 -0.04 4.34 -2.85 -1.26 -5.07 119.74 116.15 2ch0 s LYS 107 Ca 0.03 -0.97 0.07 0.00 -1.00 0.00 0.00 55.97 54.10 2ch0 s LYS 107 Cb -0.04 0.55 -0.01 0.00 -2.06 0.00 0.00 37.83 36.27 2ch0 s LYS 107 CO -0.00 -0.69 -0.25 0.42 0.10 0.00 0.00 175.35 174.94 2ch0 s ILE 108 N -3.91 1.99 0.00 3.79 -1.09 -1.26 -5.08 121.20 115.63 2ch0 s ILE 108 Ca 0.12 -1.05 0.00 0.00 -2.23 0.00 0.00 60.65 57.49 2ch0 s ILE 108 Cb -0.03 -1.67 0.00 0.00 -1.58 0.00 0.00 42.46 39.19 2ch0 s ILE 108 CO 0.03 0.56 0.00 0.00 -1.23 0.00 0.00 174.94 174.29 2ch0 n LEU 109 N 2.74 0.00 -0.01 2.97 -0.00 -1.26 -5.03 117.00 116.41 2ch0 n LEU 109 Ca -0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 55.83 2ch0 n LEU 109 Cb 0.52 0.00 0.26 0.00 -0.00 0.00 0.00 43.42 44.20 2ch0 n LEU 109 CO 0.24 0.00 0.88 1.62 -0.00 0.00 0.00 177.39 180.14 2ch0 h VAL 110 N 0.00 1.22 -3.54 1.47 3.04 -2.07 -3.39 116.25 112.98 2ch0 h VAL 110 Ca 0.00 -0.92 -0.69 0.00 -1.01 0.00 0.00 66.70 64.08 2ch0 h VAL 110 Cb 0.00 1.03 -0.34 0.00 -2.01 0.00 0.00 31.29 29.97 2ch0 h VAL 110 CO 0.00 0.31 -0.58 -0.51 -1.01 0.00 0.00 177.57 175.78 2ch0 s ILE 111 N -4.86 3.26 -0.97 3.17 1.10 -1.26 -5.05 121.20 116.59 2ch0 s ILE 111 Ca -0.08 -1.90 -0.26 0.00 -0.51 0.00 0.00 60.65 57.91 2ch0 s ILE 111 Cb 0.15 -3.16 -0.15 0.00 0.15 0.00 0.00 42.46 39.45 2ch0 s ILE 111 CO 0.78 -0.57 2.17 -2.84 -2.11 0.00 0.00 174.94 172.37 2ch0 s PRO 112 N 1.17 1.69 -1.25 3.50 0.02 -1.26 -4.86 135.00 134.01 2ch0 s PRO 112 Ca 0.06 -0.18 -0.08 0.00 0.02 0.00 0.00 61.00 60.82 2ch0 s PRO 112 Cb -0.22 -4.96 0.19 0.00 0.02 0.00 0.00 34.50 29.53 2ch0 s PRO 112 CO -0.03 -4.63 1.86 0.43 -0.33 0.00 0.00 177.00 174.30 2ch0 n SER 113 N 17.84 5.52 -3.89 2.53 7.64 -1.26 -4.90 113.62 137.10 2ch0 n SER 113 Ca 0.44 -3.16 -0.09 0.00 1.01 0.00 0.00 58.87 57.07 2ch0 n SER 113 Cb 0.45 -1.44 -0.04 0.00 -1.01 0.00 0.00 64.21 62.18 2ch0 n SER 113 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2ch0 s LYS 114 N -0.25 1.59 0.12 1.43 0.00 -1.26 -5.15 119.74 116.22 2ch0 s LYS 114 Ca 0.39 -1.08 0.11 0.00 0.00 0.00 0.00 55.97 55.39 2ch0 s LYS 114 Cb 0.10 0.53 -0.04 0.00 0.00 0.00 0.00 37.83 38.42 2ch0 s LYS 114 CO 0.01 -0.69 -0.27 0.54 0.00 0.00 0.00 175.35 174.95 2ch0 s VAL 115 N -3.95 2.22 0.00 1.79 0.11 -1.26 -5.09 120.40 114.21 2ch0 s VAL 115 Ca 0.16 -1.70 0.00 0.00 -2.93 0.00 0.00 61.98 57.51 2ch0 s VAL 115 Cb -0.02 -1.95 0.00 0.00 -1.53 0.00 0.00 36.38 32.87 2ch0 s VAL 115 CO 0.06 0.12 0.00 0.79 -3.33 0.00 0.00 175.10 172.73 2ch0 n TRP 116 N 1.03 0.00 -4.19 1.54 5.03 -1.26 -4.55 117.44 115.04 2ch0 n TRP 116 Ca -0.18 0.00 -0.16 0.00 3.03 0.00 0.00 57.50 60.19 2ch0 n TRP 116 Cb 0.53 -0.13 -0.14 0.00 -1.03 0.00 0.00 31.31 30.55 2ch0 n TRP 116 CO 0.00 0.00 0.00 -1.14 -0.03 0.00 0.00 177.69 176.52 2ch0 s GLN 117 N -2.40 0.56 0.00 -0.99 0.74 -1.26 -4.87 119.66 111.44 2ch0 s GLN 117 Ca 0.00 -0.43 0.00 0.00 0.05 0.00 0.00 55.36 54.98 2ch0 s GLN 117 Cb 0.00 -0.49 0.00 0.00 1.10 0.00 0.00 33.01 33.62 2ch0 s GLN 117 CO 0.00 0.12 0.00 0.41 -0.55 0.00 0.00 175.29 175.27 2ch0 n GLY 118 N 2.41 0.27 0.00 2.59 0.00 -1.26 -5.05 105.19 104.15 2ch0 n GLY 118 Ca -0.16 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2ch0 n GLY 118 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ch0 n GLN 119 N 0.00 0.00 0.00 1.61 6.02 -1.26 -5.13 117.38 118.62 2ch0 n GLN 119 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2ch0 n GLN 119 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 2ch0 n GLN 119 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ch0 n ALA 120 N -3.00 0.00 -2.55 -1.58 0.00 -1.26 -5.08 120.51 107.04 2ch0 n ALA 120 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2ch0 n ALA 120 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 2ch0 n ALA 120 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2ch0 s PHE 121 N 3.18 0.88 -0.08 0.00 0.08 -1.26 -4.89 117.98 115.89 2ch0 s PHE 121 Ca 0.00 -1.15 -0.04 0.00 0.12 0.00 0.00 56.93 55.86 2ch0 s PHE 121 Cb 0.00 -0.30 0.04 0.00 -0.57 0.00 0.00 43.02 42.19 2ch0 s PHE 121 CO 0.00 -0.77 0.19 -3.38 -0.10 0.00 0.00 175.22 171.16 2ch0 s HIS 122 N -4.11 -0.23 0.00 0.36 -3.43 -1.26 -4.96 115.29 101.67 2ch0 s HIS 122 Ca 0.33 0.58 0.00 0.00 -0.80 0.00 0.00 55.06 55.17 2ch0 s HIS 122 Cb 0.04 -0.00 0.00 0.00 -1.43 0.00 0.00 32.58 31.19 2ch0 s HIS 122 CO 0.11 -0.17 0.00 -0.11 -2.00 0.00 0.00 174.74 172.57 2ch0 n LEU 123 N 3.91 0.00 -4.76 5.38 7.94 -1.26 -4.88 117.00 123.34 2ch0 n LEU 123 Ca -0.23 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.28 2ch0 n LEU 123 Cb 0.54 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.43 2ch0 n LEU 123 CO 0.17 0.00 0.36 1.51 -1.11 0.00 0.00 177.39 178.32 2ch0 s ASP 124 N 0.00 7.09 -0.35 1.96 1.47 -1.26 -4.54 116.67 121.04 2ch0 s ASP 124 Ca 0.00 1.30 -0.01 0.00 1.18 0.00 0.00 52.55 55.02 2ch0 s ASP 124 Cb 0.00 -2.41 -0.01 0.00 -0.34 0.00 0.00 42.92 40.16 2ch0 s ASP 124 CO 0.00 0.10 0.32 -1.14 0.68 0.00 0.00 175.17 175.13 2ch0 n ARG 125 N 2.55 -0.69 -1.90 2.11 0.63 -1.26 -4.81 116.66 113.30 2ch0 n ARG 125 Ca -0.06 0.69 -0.42 0.00 -0.92 0.00 0.00 57.85 57.15 2ch0 n ARG 125 Cb 0.51 -3.26 -0.01 0.00 0.45 0.00 0.00 32.46 30.15 2ch0 n ARG 125 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2ch0 n ARG 126 N -1.66 2.75 -0.34 -0.14 5.12 -1.26 -4.84 116.66 116.29 2ch0 n ARG 126 Ca -0.01 -2.69 0.00 0.00 -1.93 0.00 0.00 57.85 53.22 2ch0 n ARG 126 Cb 0.52 -3.32 0.00 0.00 -1.16 0.00 0.00 32.46 28.50 2ch0 n ARG 126 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2ch0 n LEU 127 N 7.13 0.00 -4.86 0.55 4.77 -1.26 -5.18 117.00 118.15 2ch0 n LEU 127 Ca 0.51 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 56.26 2ch0 n LEU 127 Cb 0.41 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 2ch0 n LEU 127 CO 0.87 -0.01 -0.01 -1.61 -1.33 0.00 0.00 177.39 175.31 2ch0 s GLU 128 N 0.63 2.41 0.05 3.23 0.41 -1.26 -5.09 118.70 119.07 2ch0 s GLU 128 Ca 0.00 -1.71 -0.30 0.00 -0.41 0.00 0.00 54.97 52.56 2ch0 s GLU 128 Cb 0.00 -2.25 -0.18 0.00 -1.78 0.00 0.00 34.13 29.92 2ch0 s GLU 128 CO 0.00 -0.30 1.46 0.00 -0.49 0.00 0.00 175.26 175.93 2ch0 h ARG 129 N 1.01 -0.73 -7.06 1.61 -0.00 -1.87 -3.44 114.38 103.90 2ch0 h ARG 129 Ca -0.40 0.05 -0.47 0.00 -0.50 0.00 0.00 59.98 58.66 2ch0 h ARG 129 Cb 1.27 0.17 0.02 0.00 0.00 0.00 0.00 29.97 31.43 2ch0 h ARG 129 CO 0.59 -0.44 0.39 -1.25 0.00 0.00 0.00 179.97 179.26 2ch0 s PRO 130 N -5.52 3.84 0.21 0.04 0.04 -1.26 -5.04 135.00 127.30 2ch0 s PRO 130 Ca -0.16 1.38 0.02 0.00 0.04 0.00 0.00 61.00 62.28 2ch0 s PRO 130 Cb 0.03 -2.14 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 2ch0 s PRO 130 CO 0.58 -0.40 0.08 0.72 0.04 0.00 0.00 177.00 178.02 2ch0 n HIS 131 N -0.88 0.03 -0.77 0.56 8.25 -1.26 -5.06 115.22 116.09 2ch0 n HIS 131 Ca 0.09 -1.39 -0.26 0.00 -0.26 0.00 0.00 57.72 55.89 2ch0 n HIS 131 Cb 0.52 0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.61 2ch0 n HIS 131 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 2ch0 n ARG 132 N -0.47 1.64 -0.88 -0.41 1.85 -1.26 -4.86 116.66 112.27 2ch0 n ARG 132 Ca -0.02 -1.45 0.00 0.00 -1.00 0.00 0.00 57.85 55.38 2ch0 n ARG 132 Cb 0.32 -2.53 0.00 0.00 -1.05 0.00 0.00 32.46 29.20 2ch0 n ARG 132 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37