#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ch0 s SER 2 N 0.00 -0.20 0.99 1.61 0.01 -1.26 -5.20 113.70 109.65 2ch0 s SER 2 Ca 0.00 0.13 -0.14 0.00 1.31 0.00 0.00 55.95 57.24 2ch0 s SER 2 Cb 0.00 0.19 0.20 0.00 0.21 0.00 0.00 66.02 66.62 2ch0 s SER 2 CO 0.00 -0.26 1.17 -2.65 0.41 0.00 0.00 173.24 171.91 2ch0 n PRO 3 N 0.28 -1.12 -0.08 12.44 -0.02 -1.26 -5.06 135.00 140.18 2ch0 n PRO 3 Ca -0.04 -1.85 -0.18 0.00 -2.02 0.00 0.00 63.50 59.42 2ch0 n PRO 3 Cb 0.59 -1.20 -0.06 0.00 -0.02 0.00 0.00 33.50 32.81 2ch0 n PRO 3 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2ch0 n GLU 4 N -3.47 0.36 -1.01 -0.52 0.28 -1.26 -5.05 120.64 109.96 2ch0 n GLU 4 Ca 0.15 0.16 -0.00 0.00 -0.16 0.00 0.00 57.16 57.30 2ch0 n GLU 4 Cb 0.51 -1.11 -0.00 0.00 1.43 0.00 0.00 31.44 32.27 2ch0 n GLU 4 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2ch0 n PHE 5 N -3.73 0.00 0.91 -1.84 7.35 -1.26 -4.95 117.46 113.94 2ch0 n PHE 5 Ca -0.33 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.35 2ch0 n PHE 5 Cb 0.74 -0.21 0.01 0.00 0.35 0.00 0.00 39.48 40.37 2ch0 n PHE 5 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2ch0 n ARG 6 N -2.81 1.09 0.00 -4.13 1.74 -1.26 -4.68 116.66 106.62 2ch0 n ARG 6 Ca -0.00 -0.14 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 2ch0 n ARG 6 Cb 0.03 -1.20 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 2ch0 n ARG 6 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 2ch0 n TRP 7 N 0.30 0.00 -0.17 -1.55 4.27 -1.26 -5.06 117.44 113.97 2ch0 n TRP 7 Ca 0.02 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.75 2ch0 n TRP 7 Cb 0.47 0.00 0.44 0.00 -1.36 0.00 0.00 31.31 30.86 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 0.00 0.88 0.00 -1.67 2.02 -2.05 -3.19 112.91 108.90 2ch0 h THR 8 Ca 0.00 -0.19 -0.07 0.00 0.77 0.00 0.00 66.41 66.92 2ch0 h THR 8 Cb 0.00 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 2ch0 h THR 8 CO 0.00 0.10 -0.35 0.11 0.37 0.00 0.00 175.52 175.75 2ch0 h LYS 9 N 0.55 0.00 0.00 6.66 1.79 -1.98 -3.19 116.57 120.40 2ch0 h LYS 9 Ca 0.35 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.82 2ch0 h LYS 9 Cb 0.62 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 2ch0 h LYS 9 CO -0.12 0.35 0.16 0.39 -1.08 0.00 0.00 179.45 179.14 2ch0 n GLU 10 N -3.67 0.11 0.19 3.15 1.02 -1.20 -1.02 120.64 119.22 2ch0 n GLU 10 Ca -0.01 0.59 0.03 0.00 -0.02 0.00 0.00 57.16 57.76 2ch0 n GLU 10 Cb 0.45 -2.01 0.39 0.00 -0.02 0.00 0.00 31.44 30.25 2ch0 n GLU 10 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2ch0 h GLU 11 N 0.00 0.00 -0.20 3.49 4.39 -1.80 -1.29 114.58 119.17 2ch0 h GLU 11 Ca 0.00 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.50 2ch0 h GLU 11 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 2ch0 h GLU 11 CO 0.00 0.35 -0.66 0.93 -1.16 0.00 0.00 179.01 178.47 2ch0 h GLU 12 N 0.00 0.75 -0.32 2.33 5.08 -1.33 -0.17 114.58 120.93 2ch0 h GLU 12 Ca -0.00 -0.54 -0.09 0.00 -1.00 0.00 0.00 59.36 57.72 2ch0 h GLU 12 Cb 0.64 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 2ch0 h GLU 12 CO 0.05 1.16 -0.14 0.93 -1.00 0.00 0.00 179.01 180.01 2ch0 h GLU 13 N 0.55 0.66 0.00 2.33 5.08 -1.67 -3.34 114.58 118.19 2ch0 h GLU 13 Ca -0.02 -0.28 -0.16 0.00 -1.00 0.00 0.00 59.36 57.89 2ch0 h GLU 13 Cb 1.27 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 2ch0 h GLU 13 CO 0.14 0.87 -0.78 1.79 -1.00 0.00 0.00 179.01 180.02 2ch0 h THR 14 N 0.43 1.45 0.00 1.13 1.35 -1.26 -3.48 112.91 112.53 2ch0 h THR 14 Ca 0.07 -2.79 0.00 0.00 -0.55 0.00 0.00 66.41 63.14 2ch0 h THR 14 Cb 0.66 2.56 0.00 0.00 -1.73 0.00 0.00 68.15 69.64 2ch0 h THR 14 CO 0.04 0.77 0.00 -1.14 -0.25 0.00 0.00 175.52 174.94 2ch0 n ARG 15 N -3.44 0.00 -0.12 4.72 0.63 -0.08 -3.64 116.66 114.74 2ch0 n ARG 15 Ca 0.00 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 56.96 2ch0 n ARG 15 Cb 0.80 0.00 0.04 0.00 0.45 0.00 0.00 32.46 33.76 2ch0 n ARG 15 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 2ch0 n GLN 16 N 7.85 1.29 -0.14 -0.14 -0.06 -1.26 -4.82 117.38 120.09 2ch0 n GLN 16 Ca 0.00 -1.54 -0.10 0.00 -2.00 0.00 0.00 57.00 53.35 2ch0 n GLN 16 Cb 0.00 -0.96 -0.01 0.00 -4.06 0.00 0.00 30.24 25.21 2ch0 n GLN 16 CO 0.00 0.00 0.00 0.52 -0.20 0.00 0.00 177.06 177.38 2ch0 h MET 17 N 0.00 0.72 0.00 3.69 2.86 -1.93 -3.01 114.93 117.26 2ch0 h MET 17 Ca 0.00 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 2ch0 h MET 17 Cb 0.93 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.52 2ch0 h MET 17 CO 0.00 0.79 0.21 0.10 1.06 0.00 0.00 176.91 179.08 2ch0 h TYR 18 N 0.55 0.00 0.02 -0.22 -0.00 -1.88 -0.54 116.97 114.90 2ch0 h TYR 18 Ca 0.12 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.85 2ch0 h TYR 18 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.19 2ch0 h TYR 18 CO 0.04 0.00 -0.01 -0.44 -0.00 0.00 0.00 178.16 177.75 2ch0 h ASP 19 N 0.00 -0.02 1.17 0.10 5.19 -1.91 -3.39 116.42 117.55 2ch0 h ASP 19 Ca 0.00 -0.52 -0.12 0.00 -0.62 0.00 0.00 57.03 55.77 2ch0 h ASP 19 Cb 0.43 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.93 2ch0 h ASP 19 CO 0.00 0.73 -0.56 0.00 -3.12 0.00 0.00 179.24 176.28 2ch0 h MET 20 N -0.99 0.00 -0.07 3.56 -0.00 -1.65 -3.37 114.93 112.43 2ch0 h MET 20 Ca -0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 59.62 2ch0 h MET 20 Cb 0.54 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.13 2ch0 h MET 20 CO 0.00 0.56 -0.30 -0.24 -0.00 0.00 0.00 176.91 176.94 2ch0 h VAL 21 N 0.00 1.24 -0.88 -0.10 3.04 -1.31 -3.29 116.25 114.95 2ch0 h VAL 21 Ca -0.01 -1.14 0.21 0.00 -1.01 0.00 0.00 66.70 64.76 2ch0 h VAL 21 Cb 1.30 1.52 -0.06 0.00 -2.01 0.00 0.00 31.29 32.04 2ch0 h VAL 21 CO 0.07 0.33 0.59 -0.37 -1.01 0.00 0.00 177.57 177.19 2ch0 h VAL 22 N 0.11 0.66 -0.05 1.51 -1.51 -1.75 -0.94 116.25 114.28 2ch0 h VAL 22 Ca 0.02 -0.11 -0.18 0.00 -1.23 0.00 0.00 66.70 65.19 2ch0 h VAL 22 Cb 0.59 0.31 -0.01 0.00 -2.13 0.00 0.00 31.29 30.04 2ch0 h VAL 22 CO 0.04 0.06 -0.75 0.11 -1.23 0.00 0.00 177.57 175.80 2ch0 h LYS 23 N 0.33 0.32 0.01 5.19 1.57 -1.85 -3.36 116.57 118.78 2ch0 h LYS 23 Ca 0.45 -0.28 -0.24 0.00 -1.87 0.00 0.00 60.65 58.72 2ch0 h LYS 23 Cb 1.24 0.06 0.01 0.00 0.08 0.00 0.00 32.23 33.61 2ch0 h LYS 23 CO -0.14 0.93 -0.98 0.82 -0.57 0.00 0.00 179.45 179.51 2ch0 h ILE 24 N 0.21 1.39 -0.60 1.86 2.04 -1.35 -3.32 117.51 117.75 2ch0 h ILE 24 Ca -0.03 -2.46 0.17 0.00 1.00 0.00 0.00 64.86 63.54 2ch0 h ILE 24 Cb 1.33 2.45 -0.02 0.00 -0.74 0.00 0.00 36.82 39.83 2ch0 h ILE 24 CO 0.12 0.74 0.47 0.16 0.00 0.00 0.00 178.15 179.64 2ch0 h ILE 25 N 0.24 0.57 0.00 -0.67 3.07 -1.58 0.60 117.51 119.74 2ch0 h ILE 25 Ca -0.09 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.32 2ch0 h ILE 25 Cb 1.62 0.66 0.00 0.00 -0.27 0.00 0.00 36.82 38.83 2ch0 h ILE 25 CO 0.17 0.00 0.00 0.44 -1.05 0.00 0.00 178.15 177.71 2ch0 h ASP 26 N 0.00 0.00 0.43 2.16 3.32 -1.75 -3.32 116.42 117.26 2ch0 h ASP 26 Ca 0.28 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.31 2ch0 h ASP 26 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 2ch0 h ASP 26 CO -0.00 0.00 -0.21 -0.37 -1.72 0.00 0.00 179.24 176.94 2ch0 h VAL 27 N 0.00 0.49 -0.04 -1.35 -1.51 0.03 -3.39 116.25 110.48 2ch0 h VAL 27 Ca 0.00 -0.47 -0.02 0.00 -1.23 0.00 0.00 66.70 64.98 2ch0 h VAL 27 Cb 0.14 0.68 0.00 0.00 -2.13 0.00 0.00 31.29 29.98 2ch0 h VAL 27 CO 0.00 0.07 -0.07 -0.07 -1.23 0.00 0.00 177.57 176.27 2ch0 h LEU 28 N -0.88 0.13 -1.92 4.19 -0.00 -1.72 -3.37 115.31 111.73 2ch0 h LEU 28 Ca -0.06 -0.56 0.20 0.00 -0.00 0.00 0.00 57.88 57.46 2ch0 h LEU 28 Cb 0.56 -0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 41.16 2ch0 h LEU 28 CO 0.10 0.66 0.59 -0.09 -0.00 0.00 0.00 178.44 179.70 2ch0 h ARG 29 N -0.40 0.00 0.04 1.13 9.65 -1.75 0.42 114.38 123.47 2ch0 h ARG 29 Ca 0.00 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2ch0 h ARG 29 Cb 0.64 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.22 2ch0 h ARG 29 CO 0.02 0.00 -0.02 1.03 2.80 0.00 0.00 179.97 183.80 2ch0 h SER 30 N 0.00 -0.04 0.41 -3.80 0.87 -1.75 -1.77 113.55 107.47 2ch0 h SER 30 Ca 0.32 -0.64 -0.11 0.00 -1.23 0.00 0.00 61.79 60.13 2ch0 h SER 30 Cb 1.50 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.46 2ch0 h SER 30 CO -0.00 0.69 -0.49 0.45 -0.53 0.00 0.00 176.83 176.95 2ch0 h HIS 31 N -0.86 0.12 -0.07 2.24 3.86 -1.67 -3.11 115.15 115.66 2ch0 h HIS 31 Ca -0.01 -0.04 -0.16 0.00 -1.16 0.00 0.00 60.37 59.01 2ch0 h HIS 31 Cb 0.69 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.12 2ch0 h HIS 31 CO 0.17 0.57 -0.64 -0.91 0.86 0.00 0.00 177.93 177.98 2ch0 h ASN 32 N 0.08 0.32 0.22 2.45 -0.26 -0.97 0.40 115.58 117.80 2ch0 h ASN 32 Ca 0.00 -0.19 -0.16 0.00 -0.56 0.00 0.00 56.30 55.39 2ch0 h ASN 32 Cb 0.90 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 38.06 2ch0 h ASN 32 CO 0.07 0.87 -0.63 1.05 -1.06 0.00 0.00 177.43 177.73 2ch0 h GLU 33 N 0.20 0.40 0.00 0.81 4.11 -1.38 -3.22 114.58 115.49 2ch0 h GLU 33 Ca -0.01 -0.29 -0.10 0.00 0.07 0.00 0.00 59.36 59.03 2ch0 h GLU 33 Cb 1.16 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2ch0 h GLU 33 CO 0.10 0.90 -0.47 0.00 0.07 0.00 0.00 179.01 179.62 2ch0 h ALA 34 N 1.03 0.93 -0.46 1.06 0.00 -1.46 -3.34 119.26 117.02 2ch0 h ALA 34 Ca -0.01 -0.43 0.08 0.00 0.00 0.00 0.00 54.91 54.55 2ch0 h ALA 34 Cb 1.17 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 2ch0 h ALA 34 CO 0.11 0.59 0.32 0.00 0.00 0.00 0.00 179.25 180.26 2ch0 n GLN 36 N -4.47 0.04 -0.11 0.00 -0.00 -1.25 -1.62 117.38 109.97 2ch0 n GLN 36 Ca 0.07 0.42 -0.20 0.00 -0.00 0.00 0.00 57.00 57.29 2ch0 n GLN 36 Cb 0.33 -1.87 -0.12 0.00 -0.00 0.00 0.00 30.24 28.58 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 -1.63 0.66 -4.51 2.61 4.07 -1.17 -5.02 120.64 115.64 2ch0 n GLU 37 Ca -0.00 0.18 -0.29 0.00 -0.06 0.00 0.00 57.16 56.98 2ch0 n GLU 37 Cb 0.25 -1.55 -0.13 0.00 -0.06 0.00 0.00 31.44 29.95 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 -6.69 3.31 0.12 4.31 0.01 -0.64 -5.06 114.94 110.31 2ch0 s ASN 38 Ca -0.34 -0.70 -0.23 0.00 -0.71 0.00 0.00 52.86 50.88 2ch0 s ASN 38 Cb 0.09 -0.25 -0.05 0.00 0.41 0.00 0.00 41.25 41.45 2ch0 s ASN 38 CO 0.61 0.20 1.67 0.07 -1.51 0.00 0.00 177.10 178.14 2ch0 h LYS 39 N 4.09 -0.22 -1.58 -0.60 5.09 -1.96 -3.39 116.57 118.01 2ch0 h LYS 39 Ca -0.50 0.02 -0.27 0.00 0.09 0.00 0.00 60.65 59.98 2ch0 h LYS 39 Cb 1.16 0.05 -0.26 0.00 0.10 0.00 0.00 32.23 33.28 2ch0 h LYS 39 CO 0.40 -0.15 -0.62 0.16 -2.09 0.00 0.00 179.45 177.15 2ch0 s ASP 40 N -5.01 0.03 0.64 7.07 1.47 -1.26 -3.15 116.67 116.45 2ch0 s ASP 40 Ca -0.14 -1.56 0.38 0.00 1.18 0.00 0.00 52.55 52.41 2ch0 s ASP 40 Cb 0.09 1.06 2.12 0.00 -0.34 0.00 0.00 42.92 45.85 2ch0 s ASP 40 CO 0.67 -0.19 2.27 0.17 0.68 0.00 0.00 175.17 178.77 2ch0 h LEU 41 N 6.55 0.00 -4.00 2.11 -0.00 -1.87 -2.88 115.31 115.21 2ch0 h LEU 41 Ca 0.08 0.00 -0.63 0.00 -0.00 0.00 0.00 57.88 57.32 2ch0 h LEU 41 Cb 1.08 0.00 -0.30 0.00 -0.00 0.00 0.00 40.66 41.45 2ch0 h LEU 41 CO 0.16 0.00 0.81 0.00 -0.00 0.00 0.00 178.44 179.41 2ch0 n GLN 42 N -3.35 2.56 0.06 0.17 6.02 -1.26 -4.96 117.38 116.63 2ch0 n GLN 42 Ca -0.02 -3.21 0.21 0.00 -0.01 0.00 0.00 57.00 53.97 2ch0 n GLN 42 Cb 0.13 -2.26 0.69 0.00 1.02 0.00 0.00 30.24 29.82 2ch0 n GLN 42 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2ch0 h PRO 43 N 1.71 0.00 -2.20 -1.09 0.13 -1.78 -3.03 132.00 125.74 2ch0 h PRO 43 Ca 0.62 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.75 2ch0 h PRO 43 Cb 1.40 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.36 2ch0 h PRO 43 CO 1.46 0.00 0.30 0.71 -0.23 0.00 0.00 178.00 180.24 2ch0 s TYR 44 N -4.54 -0.53 -0.22 1.56 2.02 -1.26 -4.70 117.35 109.67 2ch0 s TYR 44 Ca -0.04 0.72 -0.16 0.00 -0.37 0.00 0.00 57.07 57.22 2ch0 s TYR 44 Cb 0.15 0.47 0.06 0.00 -0.40 0.00 0.00 41.96 42.24 2ch0 s TYR 44 CO 0.51 -0.61 0.56 -1.64 -1.57 0.00 0.00 175.55 172.80 2ch0 s MET 45 N -2.07 0.61 1.08 -0.62 -1.94 -0.54 -4.96 119.30 110.86 2ch0 s MET 45 Ca -0.04 0.91 -0.16 0.00 -1.71 0.00 0.00 55.69 54.69 2ch0 s MET 45 Cb -0.00 0.19 0.23 0.00 2.01 0.00 0.00 34.83 37.25 2ch0 s MET 45 CO 0.00 -0.12 1.14 -1.25 -0.01 0.00 0.00 175.02 174.78 2ch0 s PRO 46 N 0.95 -0.23 0.09 2.03 0.04 -1.26 -1.21 135.00 135.41 2ch0 s PRO 46 Ca -0.05 0.08 -0.23 0.00 0.04 0.00 0.00 61.00 60.84 2ch0 s PRO 46 Cb -0.05 -1.70 -0.14 0.00 0.04 0.00 0.00 34.50 32.65 2ch0 s PRO 46 CO -0.08 -3.08 1.73 0.82 0.04 0.00 0.00 177.00 176.42 2ch0 h ILE 47 N -2.13 0.92 0.00 0.56 2.04 -1.94 -0.10 117.51 116.86 2ch0 h ILE 47 Ca -0.48 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.38 2ch0 h ILE 47 Cb 1.30 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 2ch0 h ILE 47 CO 0.45 0.00 0.34 -2.65 0.00 0.00 0.00 178.15 176.29 2ch0 n PRO 48 N -5.14 0.06 -0.19 2.37 -0.02 -1.26 -4.14 135.00 126.68 2ch0 n PRO 48 Ca -0.07 0.48 -0.01 0.00 -2.02 0.00 0.00 63.50 61.89 2ch0 n PRO 48 Cb 0.07 -2.04 0.09 0.00 -0.02 0.00 0.00 33.50 31.61 2ch0 n PRO 48 CO 0.00 0.00 0.00 1.12 1.98 0.00 0.00 175.50 178.60 2ch0 h HIS 49 N 0.00 0.31 -0.13 6.00 2.07 -1.33 0.25 115.15 122.32 2ch0 h HIS 49 Ca 0.00 0.03 -0.12 0.00 -2.85 0.00 0.00 60.37 57.43 2ch0 h HIS 49 Cb 0.68 -0.05 -0.01 0.00 2.57 0.00 0.00 27.41 30.59 2ch0 h HIS 49 CO 0.00 0.06 -0.44 -0.39 -3.07 0.00 0.00 177.93 174.09 2ch0 h VAL 50 N 0.35 1.32 0.00 6.12 -1.51 -1.76 -2.90 116.25 117.86 2ch0 h VAL 50 Ca 0.29 -1.60 0.00 0.00 -1.23 0.00 0.00 66.70 64.16 2ch0 h VAL 50 Cb 0.37 1.70 0.00 0.00 -2.13 0.00 0.00 31.29 31.23 2ch0 h VAL 50 CO -0.31 0.48 0.00 0.54 -1.23 0.00 0.00 177.57 177.05 2ch0 n ARG 51 N -4.00 0.16 0.13 5.19 1.74 -0.30 -2.25 116.66 117.33 2ch0 n ARG 51 Ca -0.02 0.48 0.12 0.00 -0.77 0.00 0.00 57.85 57.66 2ch0 n ARG 51 Cb 0.51 -1.87 0.47 0.00 -1.02 0.00 0.00 32.46 30.55 2ch0 n ARG 51 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2ch0 n ASP 52 N -2.19 0.75 -0.04 0.55 2.03 0.74 -4.29 116.55 114.11 2ch0 n ASP 52 Ca 0.01 0.64 -0.11 0.00 0.52 0.00 0.00 54.79 55.85 2ch0 n ASP 52 Cb 0.17 -0.82 -0.14 0.00 -0.72 0.00 0.00 41.12 39.61 2ch0 n ASP 52 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2ch0 n SER 53 N -2.28 0.99 0.26 1.67 2.88 -0.95 -4.74 113.62 111.44 2ch0 n SER 53 Ca 0.03 0.28 0.17 0.00 -1.33 0.00 0.00 58.87 58.03 2ch0 n SER 53 Cb 0.30 -0.03 0.77 0.00 -0.75 0.00 0.00 64.21 64.51 2ch0 n SER 53 CO 0.00 0.00 0.00 0.17 -1.23 0.00 0.00 175.04 173.98 2ch0 h LEU 54 N 0.01 0.00 -7.36 2.46 -0.00 -1.75 -3.40 115.31 105.27 2ch0 h LEU 54 Ca -0.37 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.44 2ch0 h LEU 54 Cb 2.05 0.00 -0.16 0.00 -0.00 0.00 0.00 40.66 42.56 2ch0 h LEU 54 CO 0.06 0.00 -0.08 -0.63 -0.00 0.00 0.00 178.44 177.80 2ch0 s ILE 55 N -3.71 0.06 -0.17 0.15 -1.09 -1.26 -4.97 121.20 110.21 2ch0 s ILE 55 Ca -0.00 -0.46 -0.11 0.00 -2.23 0.00 0.00 60.65 57.85 2ch0 s ILE 55 Cb 0.10 -1.01 -0.23 0.00 -1.58 0.00 0.00 42.46 39.75 2ch0 s ILE 55 CO 0.46 -0.25 0.23 0.00 -1.23 0.00 0.00 174.94 174.15 2ch0 n GLN 56 N 0.31 0.68 0.00 2.79 1.13 -1.26 -4.56 117.38 116.48 2ch0 n GLN 56 Ca -0.18 0.35 0.00 0.00 -1.94 0.00 0.00 57.00 55.23 2ch0 n GLN 56 Cb 0.61 -1.69 0.00 0.00 0.11 0.00 0.00 30.24 29.26 2ch0 n GLN 56 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2ch0 n PRO 57 N -3.79 3.62 0.27 -1.09 -0.04 -1.26 -4.75 135.00 127.95 2ch0 n PRO 57 Ca -0.34 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.23 2ch0 n PRO 57 Cb 0.92 0.00 0.73 0.00 -0.04 0.00 0.00 33.50 35.12 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 -0.03 0.54 3.86 -2.06 -2.65 115.15 114.82 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 0.08 0.00 -0.25 0.86 0.00 0.00 177.93 178.62 2ch0 n ASP 59 N -3.95 0.70 -0.29 2.45 8.00 -1.26 -4.52 116.55 117.67 2ch0 n ASP 59 Ca -0.02 -1.32 0.12 0.00 0.71 0.00 0.00 54.79 54.28 2ch0 n ASP 59 Cb 0.17 -0.01 0.27 0.00 -0.02 0.00 0.00 41.12 41.53 2ch0 n ASP 59 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 2ch0 h ARG 60 N 1.05 0.21 0.00 -1.24 -0.00 -1.71 0.23 114.38 112.91 2ch0 h ARG 60 Ca 0.00 -0.01 -0.05 0.00 -0.00 0.00 0.00 59.98 59.92 2ch0 h ARG 60 Cb 0.22 -0.05 -0.01 0.00 -0.00 0.00 0.00 29.97 30.14 2ch0 h ARG 60 CO 0.00 0.14 -0.24 -0.22 -0.00 0.00 0.00 179.97 179.65 2ch0 h LYS 61 N 0.21 0.00 -0.01 0.08 3.11 -1.86 -3.36 116.57 114.74 2ch0 h LYS 61 Ca 0.53 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.37 2ch0 h LYS 61 Cb 1.04 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.27 2ch0 h LYS 61 CO -0.64 0.24 0.24 -0.22 -2.81 0.00 0.00 179.45 176.26 2ch0 h LYS 62 N 0.00 0.00 -0.13 1.90 3.11 -1.26 0.35 116.57 120.54 2ch0 h LYS 62 Ca -0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2ch0 h LYS 62 Cb 0.69 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.92 2ch0 h LYS 62 CO 0.03 0.00 0.00 -1.33 -2.81 0.00 0.00 179.45 175.34 2ch0 n MET 63 N -2.98 1.79 -0.03 1.90 2.81 -1.26 -4.52 117.12 114.83 2ch0 n MET 63 Ca -0.02 -1.48 -0.13 0.00 -1.81 0.00 0.00 57.70 54.26 2ch0 n MET 63 Cb 0.30 -1.15 -0.01 0.00 -0.71 0.00 0.00 33.22 31.65 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 1.27 0.70 -0.55 0.03 3.64 -1.08 -1.95 116.57 118.63 2ch0 h LYS 64 Ca 0.00 -0.48 -0.04 0.00 -1.27 0.00 0.00 60.65 58.86 2ch0 h LYS 64 Cb 0.50 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 2ch0 h LYS 64 CO 0.00 1.10 0.17 1.57 -2.27 0.00 0.00 179.45 180.02 2ch0 h LYS 65 N 0.52 0.85 -0.01 1.90 2.10 -1.77 -3.11 116.57 117.05 2ch0 h LYS 65 Ca -0.00 -0.19 -0.15 0.00 -2.00 0.00 0.00 60.65 58.31 2ch0 h LYS 65 Cb 1.20 -0.12 -0.02 0.00 -0.90 0.00 0.00 32.23 32.39 2ch0 h LYS 65 CO 0.12 0.78 -0.70 -0.24 -2.00 0.00 0.00 179.45 177.41 2ch0 h VAL 66 N 0.76 1.48 -0.95 0.07 3.04 -1.81 -3.30 116.25 115.54 2ch0 h VAL 66 Ca 0.18 -2.34 0.20 0.00 -1.01 0.00 0.00 66.70 63.73 2ch0 h VAL 66 Cb 0.29 2.26 -0.08 0.00 -2.01 0.00 0.00 31.29 31.74 2ch0 h VAL 66 CO -0.00 0.67 0.61 -0.25 -1.01 0.00 0.00 177.57 177.59 2ch0 h TRP 67 N 0.04 0.74 -0.92 3.17 2.91 -1.27 0.16 115.95 120.78 2ch0 h TRP 67 Ca -0.01 0.02 0.13 0.00 1.13 0.00 0.00 58.89 60.16 2ch0 h TRP 67 Cb 1.24 -0.22 -0.07 0.00 -0.51 0.00 0.00 29.16 29.59 2ch0 h TRP 67 CO 0.01 0.18 0.59 0.22 -1.03 0.00 0.00 178.44 178.40 2ch0 h ASP 68 N 0.54 0.75 0.05 2.65 3.58 -1.64 0.31 116.42 122.66 2ch0 h ASP 68 Ca 0.51 0.04 -0.00 0.00 0.42 0.00 0.00 57.03 58.00 2ch0 h ASP 68 Cb 1.09 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.02 2ch0 h ASP 68 CO -0.25 0.40 -0.02 -0.09 -2.88 0.00 0.00 179.24 176.39 2ch0 h ARG 69 N 0.81 -0.06 -0.78 0.28 9.65 -1.49 -3.39 114.38 119.40 2ch0 h ARG 69 Ca 0.45 0.00 0.20 0.00 -1.10 0.00 0.00 59.98 59.54 2ch0 h ARG 69 Cb 0.59 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.14 2ch0 h ARG 69 CO -0.21 0.51 0.54 0.00 2.80 0.00 0.00 179.97 183.61 2ch0 h ALA 70 N -0.30 2.49 -0.66 2.80 0.00 -0.18 -0.31 119.26 123.09 2ch0 h ALA 70 Ca -0.01 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.04 2ch0 h ALA 70 Cb 0.60 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 2ch0 h ALA 70 CO 0.01 -0.72 0.46 0.28 0.00 0.00 0.00 179.25 179.28 2ch0 h VAL 71 N 0.16 0.78 -0.08 0.00 2.07 -0.60 -3.03 116.25 115.56 2ch0 h VAL 71 Ca 0.38 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.81 2ch0 h VAL 71 Cb 1.26 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2ch0 h VAL 71 CO -0.07 0.05 0.04 -0.78 0.02 0.00 0.00 177.57 176.83 2ch0 h ASP 72 N 0.25 0.11 0.33 0.57 3.58 -1.23 0.21 116.42 120.25 2ch0 h ASP 72 Ca 0.32 -0.12 -0.02 0.00 0.42 0.00 0.00 57.03 57.63 2ch0 h ASP 72 Cb 0.90 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.93 2ch0 h ASP 72 CO -0.07 0.20 -0.16 0.15 -2.88 0.00 0.00 179.24 176.48 2ch0 h PHE 73 N 0.01 -0.41 -0.18 0.28 3.57 -1.72 -3.19 116.94 115.29 2ch0 h PHE 73 Ca 0.03 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 2ch0 h PHE 73 Cb 0.12 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 2ch0 h PHE 73 CO -0.03 -0.19 0.01 1.25 -2.23 0.00 0.00 178.31 177.12 2ch0 h LEU 74 N -0.55 0.31 -2.12 0.59 5.85 -1.52 -3.20 115.31 114.67 2ch0 h LEU 74 Ca -0.05 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.38 2ch0 h LEU 74 Cb 0.41 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.36 2ch0 h LEU 74 CO 0.07 0.54 0.00 0.00 -0.34 0.00 0.00 178.44 178.71 2ch0 h ALA 75 N 0.79 1.00 -0.28 1.25 0.00 -0.72 0.32 119.26 121.62 2ch0 h ALA 75 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2ch0 h ALA 75 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2ch0 h ALA 75 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.26 2ch0 n ALA 76 N -2.01 2.48 0.00 0.00 0.00 -1.20 -4.33 120.51 115.45 2ch0 n ALA 76 Ca -0.01 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.81 2ch0 n ALA 76 Cb 0.15 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 0.52 0.46 -3.60 0.00 3.02 -0.82 -5.03 115.26 109.81 2ch0 n ASN 77 Ca 0.15 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.41 2ch0 n ASN 77 Cb 0.34 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.39 2ch0 n ASN 77 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2ch0 s GLU 78 N -1.68 1.18 -0.61 3.52 2.12 0.11 -5.01 118.70 118.33 2ch0 s GLU 78 Ca 0.00 -2.06 0.06 0.00 0.36 0.00 0.00 54.97 53.32 2ch0 s GLU 78 Cb 0.00 -2.01 0.29 0.00 0.26 0.00 0.00 34.13 32.67 2ch0 s GLU 78 CO 0.00 -1.25 0.83 0.43 -0.54 0.00 0.00 175.26 174.73 2ch0 n SER 79 N 3.26 3.96 -0.09 -1.70 7.64 -1.26 -4.54 113.62 120.88 2ch0 n SER 79 Ca 0.17 -3.53 -0.19 0.00 1.01 0.00 0.00 58.87 56.33 2ch0 n SER 79 Cb 0.39 -0.62 -0.11 0.00 -1.01 0.00 0.00 64.21 62.85 2ch0 n SER 79 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 2ch0 h ARG 80 N 3.67 0.00 -6.25 1.43 0.11 -1.96 -3.45 114.38 107.93 2ch0 h ARG 80 Ca 0.17 0.00 -0.55 0.00 0.10 0.00 0.00 59.98 59.69 2ch0 h ARG 80 Cb 0.60 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.67 2ch0 h ARG 80 CO 0.82 0.93 1.09 0.08 0.10 0.00 0.00 179.97 182.99 2ch0 s VAL 81 N -2.31 3.65 -0.01 0.08 1.01 -1.26 -4.84 120.40 116.72 2ch0 s VAL 81 Ca -0.25 0.77 0.03 0.00 0.00 0.00 0.00 61.98 62.53 2ch0 s VAL 81 Cb 0.03 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 2ch0 s VAL 81 CO 0.58 -0.12 -0.08 -0.60 0.00 0.00 0.00 175.10 174.88 2ch0 s ARG 82 N 4.19 2.53 -0.25 2.72 3.00 -0.93 -4.88 118.95 125.33 2ch0 s ARG 82 Ca 0.72 -0.72 -0.24 0.00 -1.00 0.00 0.00 55.73 54.49 2ch0 s ARG 82 Cb -0.30 -2.48 -0.01 0.00 0.00 0.00 0.00 34.95 32.16 2ch0 s ARG 82 CO 0.28 0.61 0.80 0.99 0.00 0.00 0.00 175.30 177.98 2ch0 s THR 83 N -0.94 4.84 0.14 4.11 2.01 -1.26 -1.50 115.64 123.04 2ch0 s THR 83 Ca 0.16 1.46 0.11 0.00 0.31 0.00 0.00 61.69 63.73 2ch0 s THR 83 Cb -0.11 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 2ch0 s THR 83 CO 0.06 -0.09 -0.26 -0.70 -0.69 0.00 0.00 174.62 172.94 2ch0 s GLU 84 N 2.83 1.39 -0.43 4.92 2.12 -0.65 -4.92 118.70 123.96 2ch0 s GLU 84 Ca 0.34 -1.36 -0.20 0.00 0.36 0.00 0.00 54.97 54.11 2ch0 s GLU 84 Cb -0.15 -1.83 0.02 0.00 0.26 0.00 0.00 34.13 32.43 2ch0 s GLU 84 CO 0.08 0.43 0.60 0.99 -0.54 0.00 0.00 175.26 176.81 2ch0 s THR 85 N -1.18 4.89 0.01 -1.70 2.01 -1.26 -1.38 115.64 117.04 2ch0 s THR 85 Ca 0.14 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.19 2ch0 s THR 85 Cb -0.10 -4.16 -0.01 0.00 0.01 0.00 0.00 72.50 68.24 2ch0 s THR 85 CO 0.06 -0.54 -0.04 -0.60 -0.69 0.00 0.00 174.62 172.81 2ch0 s ARG 86 N 2.66 0.33 -0.39 4.92 3.00 -0.09 -4.87 118.95 124.51 2ch0 s ARG 86 Ca 0.20 -0.36 -0.27 0.00 -1.00 0.00 0.00 55.73 54.31 2ch0 s ARG 86 Cb -0.15 -0.20 0.02 0.00 0.00 0.00 0.00 34.95 34.63 2ch0 s ARG 86 CO 0.18 0.04 0.97 0.50 0.00 0.00 0.00 175.30 176.99 2ch0 s ARG 87 N -0.69 3.81 -0.04 5.12 3.52 -1.26 -0.87 118.95 128.55 2ch0 s ARG 87 Ca -0.05 0.59 -0.00 0.00 -0.13 0.00 0.00 55.73 56.14 2ch0 s ARG 87 Cb -0.05 -3.82 0.03 0.00 -1.56 0.00 0.00 34.95 29.54 2ch0 s ARG 87 CO -0.00 -1.04 0.01 0.96 -0.81 0.00 0.00 175.30 174.43 2ch0 s ILE 88 N 3.67 0.13 -0.86 4.11 -0.00 0.83 -4.76 121.20 124.32 2ch0 s ILE 88 Ca 0.40 0.17 0.00 0.00 -0.00 0.00 0.00 60.65 61.22 2ch0 s ILE 88 Cb -0.11 -0.27 0.00 0.00 -0.00 0.00 0.00 42.46 42.08 2ch0 s ILE 88 CO 0.21 0.16 0.00 0.61 -0.00 0.00 0.00 174.94 175.92 2ch0 n GLY 89 N 4.49 1.00 1.53 6.27 0.00 -1.26 -2.46 105.19 114.76 2ch0 n GLY 89 Ca -0.20 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.94 0.59 2.99 -0.02 0.00 -1.26 -5.07 105.19 100.48 2ch0 n GLY 90 Ca -0.08 -0.22 -0.19 0.00 0.00 0.00 0.00 46.02 45.53 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 0.77 -0.51 4.61 0.00 -1.03 -5.08 121.76 118.52 2ch0 s ALA 91 Ca 0.00 -0.31 -0.26 0.00 0.00 0.00 0.00 51.96 51.39 2ch0 s ALA 91 Cb 0.00 -0.27 0.03 0.00 0.00 0.00 0.00 23.12 22.88 2ch0 s ALA 91 CO 0.00 0.14 1.01 0.34 0.00 0.00 0.00 175.76 177.24 2ch0 s ASP 92 N 0.12 6.47 0.26 0.00 2.15 -1.26 -0.12 116.67 124.28 2ch0 s ASP 92 Ca -0.02 0.05 0.09 0.00 0.43 0.00 0.00 52.55 53.10 2ch0 s ASP 92 Cb -0.07 -2.48 -0.05 0.00 -0.30 0.00 0.00 42.92 40.02 2ch0 s ASP 92 CO 0.00 -1.20 -0.13 -0.36 -0.17 0.00 0.00 175.17 173.31 2ch0 s PHE 93 N 4.12 1.97 -0.44 -5.34 0.08 -0.05 -4.84 117.98 113.48 2ch0 s PHE 93 Ca 0.38 -0.55 -0.22 0.00 0.12 0.00 0.00 56.93 56.66 2ch0 s PHE 93 Cb -0.10 -0.98 0.02 0.00 -0.57 0.00 0.00 43.02 41.40 2ch0 s PHE 93 CO 0.25 0.44 0.71 -0.51 -0.10 0.00 0.00 175.22 176.01 2ch0 s LEU 94 N -3.42 4.39 0.06 -0.37 1.02 -1.26 -0.91 118.68 118.19 2ch0 s LEU 94 Ca 0.27 -0.24 0.09 0.00 0.02 0.00 0.00 54.13 54.27 2ch0 s LEU 94 Cb -0.00 -2.84 -0.03 0.00 0.02 0.00 0.00 46.19 43.34 2ch0 s LEU 94 CO 0.11 -0.84 -0.24 0.54 0.02 0.00 0.00 176.35 175.93 2ch0 s VAL 95 N 3.04 1.97 -0.17 -1.59 0.11 -0.48 -4.26 120.40 119.02 2ch0 s VAL 95 Ca 0.26 -1.40 -0.08 0.00 -2.93 0.00 0.00 61.98 57.83 2ch0 s VAL 95 Cb -0.13 -1.71 -0.04 0.00 -1.53 0.00 0.00 36.38 32.97 2ch0 s VAL 95 CO 0.21 0.23 0.09 0.26 -3.33 0.00 0.00 175.10 172.56 2ch0 s TRP 96 N -0.88 3.36 0.07 1.54 0.51 -0.35 -1.64 118.94 121.55 2ch0 s TRP 96 Ca 0.10 0.25 0.04 0.00 -2.12 0.00 0.00 56.10 54.36 2ch0 s TRP 96 Cb -0.10 -2.06 -0.03 0.00 -0.81 0.00 0.00 33.47 30.48 2ch0 s TRP 96 CO 0.03 0.33 -0.11 -0.98 -0.51 0.00 0.00 176.95 175.71 2ch0 s ARG 97 N 0.02 0.72 -0.00 4.98 1.70 -0.56 -1.46 118.95 124.34 2ch0 s ARG 97 Ca 0.08 -0.95 0.01 0.00 -0.47 0.00 0.00 55.73 54.40 2ch0 s ARG 97 Cb -0.12 -0.55 -0.04 0.00 -0.57 0.00 0.00 34.95 33.68 2ch0 s ARG 97 CO 0.00 0.10 0.00 -0.46 -1.08 0.00 0.00 175.30 173.87 2ch0 s TRP 98 N -1.68 3.08 -0.14 5.89 -0.00 -1.15 -2.18 118.94 122.76 2ch0 s TRP 98 Ca -0.02 0.09 0.02 0.00 -0.00 0.00 0.00 56.10 56.18 2ch0 s TRP 98 Cb -0.08 -1.68 0.01 0.00 -0.00 0.00 0.00 33.47 31.73 2ch0 s TRP 98 CO 0.01 0.46 -0.20 0.96 -0.00 0.00 0.00 176.95 178.18 2ch0 s ILE 99 N -1.08 1.95 0.33 5.86 -4.36 -1.26 -4.68 121.20 117.96 2ch0 s ILE 99 Ca 0.19 -0.91 -0.27 0.00 -0.26 0.00 0.00 60.65 59.41 2ch0 s ILE 99 Cb -0.12 -1.74 -0.09 0.00 1.25 0.00 0.00 42.46 41.76 2ch0 s ILE 99 CO 0.10 0.53 1.06 -1.58 0.24 0.00 0.00 174.94 175.29 2ch0 s GLN 100 N 0.93 4.46 0.16 0.37 -0.44 -1.19 -4.95 119.66 119.00 2ch0 s GLN 100 Ca -0.05 1.65 -0.31 0.00 -2.50 0.00 0.00 55.36 54.14 2ch0 s GLN 100 Cb -0.15 -2.92 -0.10 0.00 -1.64 0.00 0.00 33.01 28.20 2ch0 s GLN 100 CO -0.04 0.09 1.62 -2.14 0.50 0.00 0.00 175.29 175.32 2ch0 s PRO 101 N -1.88 4.19 0.00 1.67 0.02 -1.26 -1.79 135.00 135.95 2ch0 s PRO 101 Ca 0.50 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.93 2ch0 s PRO 101 Cb -0.27 -3.22 0.00 0.00 0.02 0.00 0.00 34.50 31.03 2ch0 s PRO 101 CO 0.34 -0.66 0.00 0.45 -0.33 0.00 0.00 177.00 176.80 2ch0 n SER 102 N 4.28 -0.63 -3.24 2.53 2.88 -1.26 -4.31 113.62 113.87 2ch0 n SER 102 Ca 0.15 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.54 2ch0 n SER 102 Cb 0.38 -0.11 0.07 0.00 -0.75 0.00 0.00 64.21 63.81 2ch0 n SER 102 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ch0 n ALA 103 N 0.85 -2.30 0.00 -1.46 0.00 -0.74 -3.35 120.51 113.51 2ch0 n ALA 103 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2ch0 n ALA 103 Cb 0.00 -4.78 0.00 0.00 0.00 0.00 0.00 19.45 14.67 2ch0 n ALA 103 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ch0 n SER 104 N -3.15 0.00 0.00 0.00 3.41 -1.26 -3.76 113.62 108.86 2ch0 n SER 104 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 2ch0 n SER 104 Cb 0.63 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 2ch0 n SER 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ch0 n ASP 106 N 0.00 0.00 -0.04 0.00 2.03 -1.25 -4.48 116.55 112.82 2ch0 n ASP 106 Ca 0.00 0.00 0.16 0.00 0.52 0.00 0.00 54.79 55.47 2ch0 n ASP 106 Cb 0.00 0.00 0.90 0.00 -0.72 0.00 0.00 41.12 41.30 2ch0 n ASP 106 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2ch0 n LYS 107 N 0.00 0.99 -1.45 -0.67 5.02 -1.26 -3.31 118.16 117.48 2ch0 n LYS 107 Ca 0.00 -0.07 -0.16 0.00 -2.02 0.00 0.00 58.31 56.05 2ch0 n LYS 107 Cb 0.00 -1.50 0.10 0.00 -0.02 0.00 0.00 35.03 33.61 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 -0.94 2.61 -0.61 -0.18 2.08 -1.26 -4.81 119.36 116.25 2ch0 n ILE 108 Ca 0.23 -3.60 -0.06 0.00 0.56 0.00 0.00 62.75 59.88 2ch0 n ILE 108 Cb 0.14 -0.82 -0.08 0.00 -0.75 0.00 0.00 39.64 38.14 2ch0 n ILE 108 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2ch0 n LEU 109 N -0.89 3.98 -1.11 1.39 -0.00 -1.21 -4.39 117.00 114.78 2ch0 n LEU 109 Ca 0.40 -2.25 -0.04 0.00 -0.00 0.00 0.00 56.01 54.12 2ch0 n LEU 109 Cb 0.90 -0.99 0.01 0.00 -0.00 0.00 0.00 43.42 43.35 2ch0 n LEU 109 CO 0.33 1.00 0.03 0.52 -0.00 0.00 0.00 177.39 179.28 2ch0 n VAL 110 N 2.24 -0.62 -4.80 1.47 0.31 -1.26 -5.09 118.33 110.58 2ch0 n VAL 110 Ca 0.20 -0.02 -0.26 0.00 -0.01 0.00 0.00 64.34 64.24 2ch0 n VAL 110 Cb 0.57 -2.19 -0.16 0.00 -0.91 0.00 0.00 33.84 31.15 2ch0 n VAL 110 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 2ch0 s ILE 111 N -3.05 1.40 -1.18 2.52 -1.16 -1.26 -5.07 121.20 113.41 2ch0 s ILE 111 Ca 0.07 -0.68 -0.16 0.00 -0.51 0.00 0.00 60.65 59.37 2ch0 s ILE 111 Cb -0.03 -1.23 -0.05 0.00 0.61 0.00 0.00 42.46 41.76 2ch0 s ILE 111 CO 0.12 0.41 2.19 -0.81 -2.81 0.00 0.00 174.94 174.03 2ch0 n PRO 112 N 3.37 2.38 -2.63 3.50 -0.04 -1.26 -4.75 135.00 135.56 2ch0 n PRO 112 Ca -0.19 -2.17 -0.19 0.00 -0.04 0.00 0.00 63.50 60.90 2ch0 n PRO 112 Cb 0.53 -3.02 0.02 0.00 -0.04 0.00 0.00 33.50 30.98 2ch0 n PRO 112 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ch0 n SER 113 N 6.15 -4.03 -1.60 3.54 2.88 -1.26 -4.93 113.62 114.37 2ch0 n SER 113 Ca 0.53 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.96 2ch0 n SER 113 Cb 0.35 -1.10 0.09 0.00 -0.75 0.00 0.00 64.21 62.80 2ch0 n SER 113 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2ch0 n LYS 114 N 0.23 1.61 -3.81 -1.46 4.76 -1.26 -4.52 118.16 113.71 2ch0 n LYS 114 Ca -0.04 -1.46 -0.26 0.00 -2.87 0.00 0.00 58.31 53.68 2ch0 n LYS 114 Cb 0.44 -1.57 -0.17 0.00 -1.84 0.00 0.00 35.03 31.89 2ch0 n LYS 114 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2ch0 s VAL 115 N -1.61 0.67 -0.04 -0.18 -7.23 -1.26 -5.15 120.40 105.60 2ch0 s VAL 115 Ca 0.28 -0.23 -0.05 0.00 -1.81 0.00 0.00 61.98 60.17 2ch0 s VAL 115 Cb 0.23 -0.87 0.01 0.00 0.56 0.00 0.00 36.38 36.31 2ch0 s VAL 115 CO 0.05 0.17 0.13 0.86 -0.31 0.00 0.00 175.10 176.01 2ch0 s TRP 116 N 1.83 -0.10 -0.24 2.82 -0.11 -1.26 -5.07 118.94 116.81 2ch0 s TRP 116 Ca 0.03 0.24 0.21 0.00 1.22 0.00 0.00 56.10 57.80 2ch0 s TRP 116 Cb -0.14 0.02 0.03 0.00 -1.50 0.00 0.00 33.47 31.89 2ch0 s TRP 116 CO -0.07 -0.12 1.11 1.96 -4.62 0.00 0.00 176.95 175.22 2ch0 h GLN 117 N 5.57 0.00 0.00 5.86 4.20 -2.01 -3.49 115.11 125.25 2ch0 h GLN 117 Ca -0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.45 2ch0 h GLN 117 Cb 1.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.98 2ch0 h GLN 117 CO 0.42 0.09 0.00 0.41 -0.67 0.00 0.00 178.83 179.08 2ch0 n GLY 118 N 1.21 3.11 2.02 3.46 0.00 -1.26 -4.91 105.19 108.81 2ch0 n GLY 118 Ca -0.01 -0.86 -0.01 0.00 0.00 0.00 0.00 46.02 45.14 2ch0 n GLY 118 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2ch0 n GLN 119 N 0.00 -0.63 0.00 1.61 -0.06 -1.26 -5.13 117.38 111.91 2ch0 n GLN 119 Ca 0.00 0.95 0.00 0.00 -2.00 0.00 0.00 57.00 55.95 2ch0 n GLN 119 Cb 0.00 -2.99 0.00 0.00 -4.06 0.00 0.00 30.24 23.19 2ch0 n GLN 119 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2ch0 n ALA 120 N -0.89 0.00 -1.95 1.69 0.00 -1.26 -5.05 120.51 113.05 2ch0 n ALA 120 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.04 2ch0 n ALA 120 Cb 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.80 2ch0 n ALA 120 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2ch0 n PHE 121 N 0.00 3.20 -3.85 0.00 7.35 -1.26 -4.85 117.46 118.05 2ch0 n PHE 121 Ca 0.00 -2.91 -0.12 0.00 -0.76 0.00 0.00 57.45 53.67 2ch0 n PHE 121 Cb 0.00 -2.29 -0.11 0.00 0.35 0.00 0.00 39.48 37.43 2ch0 n PHE 121 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 2ch0 s HIS 122 N 1.89 -0.03 -0.29 -5.13 3.76 -1.26 -5.08 115.29 109.15 2ch0 s HIS 122 Ca 0.46 0.06 0.10 0.00 -0.15 0.00 0.00 55.06 55.52 2ch0 s HIS 122 Cb 0.13 -0.01 0.47 0.00 1.11 0.00 0.00 32.58 34.27 2ch0 s HIS 122 CO -0.05 -0.23 1.17 -0.11 -0.85 0.00 0.00 174.74 174.66 2ch0 n LEU 123 N 1.89 4.33 0.00 0.89 7.94 -1.26 -5.04 117.00 125.76 2ch0 n LEU 123 Ca -0.20 -4.48 0.00 0.00 -1.11 0.00 0.00 56.01 50.22 2ch0 n LEU 123 Cb 0.56 -0.21 0.00 0.00 0.53 0.00 0.00 43.42 44.31 2ch0 n LEU 123 CO 0.21 1.94 0.00 -0.67 -1.11 0.00 0.00 177.39 177.75 2ch0 n ASP 124 N -0.67 0.00 -4.86 1.96 2.03 -1.26 -4.89 116.55 108.86 2ch0 n ASP 124 Ca 0.37 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 55.35 2ch0 n ASP 124 Cb 0.92 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 41.27 2ch0 n ASP 124 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2ch0 s ARG 125 N 0.00 3.89 0.09 -0.67 3.00 -1.26 -5.09 118.95 118.91 2ch0 s ARG 125 Ca 0.00 0.38 -0.09 0.00 0.00 0.00 0.00 55.73 56.02 2ch0 s ARG 125 Cb 0.00 -2.81 0.03 0.00 0.00 0.00 0.00 34.95 32.17 2ch0 s ARG 125 CO 0.00 0.41 0.43 2.89 0.00 0.00 0.00 175.30 179.04 2ch0 n ARG 126 N 0.41 0.30 -1.44 3.54 0.00 -1.26 -5.14 116.66 113.06 2ch0 n ARG 126 Ca -0.03 -0.66 0.00 0.00 -0.00 0.00 0.00 57.85 57.16 2ch0 n ARG 126 Cb 0.52 0.89 0.00 0.00 -0.00 0.00 0.00 32.46 33.87 2ch0 n ARG 126 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2ch0 n LEU 127 N 0.00 -1.92 -2.48 2.89 4.77 -1.26 -5.06 117.00 113.93 2ch0 n LEU 127 Ca -0.01 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.95 2ch0 n LEU 127 Cb 0.25 -0.96 0.05 0.00 -2.33 0.00 0.00 43.42 40.42 2ch0 n LEU 127 CO 0.09 0.00 0.03 -1.84 -1.33 0.00 0.00 177.39 174.34 2ch0 n GLU 128 N 0.03 1.63 0.06 3.23 0.28 -1.23 -4.27 120.64 120.37 2ch0 n GLU 128 Ca 0.00 -3.32 0.00 0.00 -0.16 0.00 0.00 57.16 53.68 2ch0 n GLU 128 Cb 0.00 -1.41 0.00 0.00 1.43 0.00 0.00 31.44 31.46 2ch0 n GLU 128 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 2ch0 n ARG 129 N -0.44 0.00 0.00 3.44 3.00 -1.04 -4.85 116.66 116.77 2ch0 n ARG 129 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 2ch0 n ARG 129 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.33 2ch0 n ARG 129 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 2ch0 n PRO 130 N -2.72 0.00 -2.76 -0.14 -0.04 -1.26 -4.80 135.00 123.28 2ch0 n PRO 130 Ca 0.00 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 2ch0 n PRO 130 Cb 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 2ch0 n PRO 130 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2ch0 s HIS 131 N 0.40 2.96 0.00 0.54 -3.43 -1.26 -4.59 115.29 109.90 2ch0 s HIS 131 Ca 0.00 -1.41 0.00 0.00 -0.80 0.00 0.00 55.06 52.85 2ch0 s HIS 131 Cb 0.00 -4.50 0.00 0.00 -1.43 0.00 0.00 32.58 26.65 2ch0 s HIS 131 CO 0.00 -1.66 0.00 0.54 -2.00 0.00 0.00 174.74 171.62 2ch0 n ARG 132 N 7.41 0.00 0.00 -0.38 1.74 -1.26 -4.89 116.66 119.27 2ch0 n ARG 132 Ca 0.34 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.52 2ch0 n ARG 132 Cb 0.48 0.00 0.09 0.00 -1.02 0.00 0.00 32.46 32.00 2ch0 n ARG 132 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86