#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dat n SER 2 N 0.00 1.92 -0.10 1.61 3.41 -1.26 -4.82 113.62 114.38 2dat n SER 2 Ca 0.00 0.13 -0.14 0.00 -0.26 0.00 0.00 58.87 58.60 2dat n SER 2 Cb 0.00 -0.58 -0.05 0.00 -0.26 0.00 0.00 64.21 63.32 2dat n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dat n SER 3 N -3.73 1.91 -3.67 4.04 7.64 -1.26 -5.10 113.62 113.45 2dat n SER 3 Ca -0.45 0.41 -0.01 0.00 1.01 0.00 0.00 58.87 59.83 2dat n SER 3 Cb 0.88 -0.81 -0.01 0.00 -1.01 0.00 0.00 64.21 63.26 2dat n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dat s GLY 4 N -4.89 -0.29 -0.76 0.23 0.00 -1.26 -5.10 107.32 95.24 2dat s GLY 4 Ca -0.28 0.36 -0.20 0.00 0.00 0.00 0.00 44.72 44.60 2dat s GLY 4 CO 0.41 0.41 0.98 -1.35 0.00 0.00 0.00 173.10 173.55 2dat s SER 5 N -3.02 6.38 -0.26 1.64 1.04 -1.26 -4.92 113.70 113.29 2dat s SER 5 Ca 0.14 -1.55 -0.25 0.00 0.48 0.00 0.00 55.95 54.77 2dat s SER 5 Cb 0.02 -2.38 0.10 0.00 0.10 0.00 0.00 66.02 63.86 2dat s SER 5 CO -0.01 -1.21 0.92 -0.55 0.98 0.00 0.00 173.24 173.38 2dat s SER 6 N 3.61 -0.55 -0.31 7.02 0.15 -1.26 -5.08 113.70 117.28 2dat s SER 6 Ca 0.25 1.02 0.01 0.00 0.70 0.00 0.00 55.95 57.93 2dat s SER 6 Cb -0.13 1.02 0.07 0.00 -1.71 0.00 0.00 66.02 65.27 2dat s SER 6 CO 0.01 -0.21 1.07 0.61 1.20 0.00 0.00 173.24 175.92 2dat n GLY 7 N 2.24 -0.80 3.70 9.45 0.00 -1.26 -5.14 105.19 113.37 2dat n GLY 7 Ca -0.13 0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 2dat n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dat n SER 8 N -0.46 2.79 -4.60 1.61 7.64 -1.26 -4.87 113.62 114.46 2dat n SER 8 Ca -0.27 1.20 -0.43 0.00 1.01 0.00 0.00 58.87 60.38 2dat n SER 8 Cb 0.65 -1.48 -0.03 0.00 -1.01 0.00 0.00 64.21 62.35 2dat n SER 8 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2dat s PRO 9 N -1.62 3.38 0.49 1.43 0.04 -1.26 -4.95 135.00 132.50 2dat s PRO 9 Ca 0.58 1.29 -0.19 0.00 0.04 0.00 0.00 61.00 62.71 2dat s PRO 9 Cb -0.58 -4.16 -0.14 0.00 0.04 0.00 0.00 34.50 29.66 2dat s PRO 9 CO 0.60 -1.81 0.03 0.09 0.04 0.00 0.00 177.00 175.95 2dat n ASN 10 N 9.98 -3.04 -4.70 6.66 3.02 -1.26 -4.92 115.26 120.99 2dat n ASN 10 Ca 0.21 0.71 -0.29 0.00 -0.03 0.00 0.00 54.58 55.18 2dat n ASN 10 Cb 0.47 -0.91 0.15 0.00 -0.61 0.00 0.00 39.78 38.88 2dat n ASN 10 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2dat s PRO 11 N -1.17 0.97 0.49 3.52 0.04 -1.26 -4.76 135.00 132.83 2dat s PRO 11 Ca 0.59 0.71 0.32 0.00 0.04 0.00 0.00 61.00 62.66 2dat s PRO 11 Cb -0.52 -1.78 1.32 0.00 0.04 0.00 0.00 34.50 33.55 2dat s PRO 11 CO 0.64 -2.41 1.94 -1.00 0.04 0.00 0.00 177.00 176.20 2dat h PRO 12 N -1.67 0.00 0.07 0.56 0.13 -1.99 -1.33 132.00 127.77 2dat h PRO 12 Ca -0.51 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.34 2dat h PRO 12 Cb 1.30 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 2dat h PRO 12 CO 0.56 0.00 -1.37 0.87 -0.23 0.00 0.00 178.00 177.82 2dat h LYS 13 N 0.00 0.15 0.00 0.86 1.79 -2.00 -3.24 116.57 114.13 2dat h LYS 13 Ca 0.00 -0.26 -0.00 0.00 -2.18 0.00 0.00 60.65 58.21 2dat h LYS 13 Cb 0.46 0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 31.20 2dat h LYS 13 CO 0.00 1.01 -0.18 1.25 -1.08 0.00 0.00 179.45 180.44 2dat h LEU 14 N 0.04 0.00 -0.82 2.94 7.12 -1.88 -3.02 115.31 119.69 2dat h LEU 14 Ca -0.17 -0.04 0.15 0.00 0.13 0.00 0.00 57.88 57.95 2dat h LEU 14 Cb 1.94 0.00 -0.15 0.00 -0.53 0.00 0.00 40.66 41.92 2dat h LEU 14 CO 0.15 0.61 -0.28 0.74 -0.13 0.00 0.00 178.44 179.53 2dat h THR 15 N -1.00 0.13 0.27 1.05 2.02 -1.45 -0.35 112.91 113.58 2dat h THR 15 Ca -0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 2dat h THR 15 Cb 0.22 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 2dat h THR 15 CO -0.00 0.00 -0.13 0.11 0.37 0.00 0.00 175.52 175.87 2dat h LYS 16 N -0.04 -0.35 -0.76 6.66 1.79 -1.73 -2.88 116.57 119.25 2dat h LYS 16 Ca 0.35 0.02 0.13 0.00 -2.18 0.00 0.00 60.65 58.98 2dat h LYS 16 Cb 0.60 0.08 -0.13 0.00 -1.58 0.00 0.00 32.23 31.20 2dat h LYS 16 CO -0.85 -0.20 -0.27 0.94 -1.08 0.00 0.00 179.45 177.99 2dat n GLN 17 N -5.22 -0.15 -0.11 3.15 7.27 -0.17 0.14 117.38 122.28 2dat n GLN 17 Ca -0.10 1.18 -0.09 0.00 0.07 0.00 0.00 57.00 58.06 2dat n GLN 17 Cb 0.18 -1.76 -0.01 0.00 2.41 0.00 0.00 30.24 31.07 2dat n GLN 17 CO 0.00 0.00 0.00 0.52 0.07 0.00 0.00 177.06 177.65 2dat h MET 18 N 0.00 0.49 0.36 3.69 2.86 -1.36 -3.06 114.93 117.91 2dat h MET 18 Ca 0.29 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.87 2dat h MET 18 Cb 0.48 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 2dat h MET 18 CO -0.77 0.40 -0.27 -0.91 1.06 0.00 0.00 176.91 176.42 2dat h ASN 19 N 0.44 -0.70 -1.00 1.22 2.35 0.14 -2.07 115.58 115.96 2dat h ASN 19 Ca 0.12 0.05 0.37 0.00 -0.55 0.00 0.00 56.30 56.30 2dat h ASN 19 Cb 0.06 0.22 -0.17 0.00 0.05 0.00 0.00 38.32 38.48 2dat h ASN 19 CO -0.02 -0.41 0.49 0.00 -1.65 0.00 0.00 177.43 175.84 2dat h ALA 20 N -0.07 1.99 -0.88 -0.83 0.00 -0.39 0.43 119.26 119.51 2dat h ALA 20 Ca -0.03 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2dat h ALA 20 Cb 0.55 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2dat h ALA 20 CO 0.00 -0.81 0.00 -0.89 0.00 0.00 0.00 179.25 177.55 2dat n ILE 21 N -5.23 0.00 -0.29 0.00 5.41 -0.91 -3.49 119.36 114.86 2dat n ILE 21 Ca 0.34 0.77 -0.03 0.00 1.00 0.00 0.00 62.75 64.83 2dat n ILE 21 Cb 1.14 -1.60 0.02 0.00 -0.71 0.00 0.00 39.64 38.49 2dat n ILE 21 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2dat h ILE 22 N 0.00 0.09 -0.58 1.39 1.08 -0.93 -1.33 117.51 117.23 2dat h ILE 22 Ca 0.00 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.52 2dat h ILE 22 Cb 0.00 0.09 -0.07 0.00 -3.07 0.00 0.00 36.82 33.77 2dat h ILE 22 CO 0.00 0.00 -0.34 -0.67 -0.69 0.00 0.00 178.15 176.45 2dat n ASP 23 N -5.45 -0.61 0.16 1.72 2.03 0.15 0.06 116.55 114.61 2dat n ASP 23 Ca 0.07 1.22 -0.14 0.00 0.52 0.00 0.00 54.79 56.46 2dat n ASP 23 Cb 0.37 -0.23 -0.07 0.00 -0.72 0.00 0.00 41.12 40.48 2dat n ASP 23 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2dat h THR 24 N 0.00 0.51 -0.14 5.18 2.02 -1.30 0.38 112.91 119.56 2dat h THR 24 Ca 0.09 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.29 2dat h THR 24 Cb 0.24 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 2dat h THR 24 CO -0.54 0.00 -0.32 0.58 0.37 0.00 0.00 175.52 175.60 2dat h VAL 25 N -0.49 0.00 -0.80 3.16 2.07 -0.14 0.83 116.25 120.88 2dat h VAL 25 Ca -0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 2dat h VAL 25 Cb 0.46 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.17 2dat h VAL 25 CO -0.05 0.00 0.50 0.40 0.02 0.00 0.00 177.57 178.44 2dat h ILE 26 N -0.30 1.08 -0.90 4.57 2.04 -0.33 -2.05 117.51 121.60 2dat h ILE 26 Ca 0.03 -0.32 -0.59 0.00 1.00 0.00 0.00 64.86 64.97 2dat h ILE 26 Cb 0.38 0.05 -0.25 0.00 -0.74 0.00 0.00 36.82 36.26 2dat h ILE 26 CO -0.29 0.17 0.76 0.59 0.00 0.00 0.00 178.15 179.38 2dat n ASN 27 N -4.63 7.38 -4.82 1.72 3.02 0.13 -4.33 115.26 113.73 2dat n ASN 27 Ca 0.10 -3.60 -0.37 0.00 -0.03 0.00 0.00 54.58 50.68 2dat n ASN 27 Cb 0.13 -1.01 -0.06 0.00 -0.61 0.00 0.00 39.78 38.23 2dat n ASN 27 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2dat s TYR 28 N -3.30 3.59 -0.07 3.10 5.04 0.28 -4.78 117.35 121.23 2dat s TYR 28 Ca 0.56 0.67 -0.20 0.00 -2.44 0.00 0.00 57.07 55.67 2dat s TYR 28 Cb 0.44 -2.16 -0.05 0.00 0.35 0.00 0.00 41.96 40.54 2dat s TYR 28 CO -0.03 0.56 0.55 0.15 -1.34 0.00 0.00 175.55 175.44 2dat s LYS 29 N -0.59 4.32 -0.22 4.97 1.02 -1.26 -3.82 119.74 124.16 2dat s LYS 29 Ca 0.17 0.61 -0.16 0.00 0.02 0.00 0.00 55.97 56.61 2dat s LYS 29 Cb -0.14 -3.39 -0.12 0.00 -0.52 0.00 0.00 37.83 33.66 2dat s LYS 29 CO 0.06 0.25 -0.13 -0.40 -0.92 0.00 0.00 175.35 174.21 2dat n ASP 30 N 3.26 1.90 0.01 2.83 5.75 -1.26 -4.94 116.55 124.11 2dat n ASP 30 Ca -0.07 0.41 0.00 0.00 -0.01 0.00 0.00 54.79 55.13 2dat n ASP 30 Cb 0.51 -0.87 0.00 0.00 -1.03 0.00 0.00 41.12 39.74 2dat n ASP 30 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2dat n SER 31 N -4.40 0.06 -3.73 -1.12 7.64 -1.26 -4.98 113.62 105.83 2dat n SER 31 Ca -0.34 0.03 -0.29 0.00 1.01 0.00 0.00 58.87 59.28 2dat n SER 31 Cb 0.67 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.78 2dat n SER 31 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dat n SER 32 N -2.61 3.69 -4.20 6.43 3.41 -1.26 -4.87 113.62 114.22 2dat n SER 32 Ca 0.00 -3.32 -0.33 0.00 -0.26 0.00 0.00 58.87 54.96 2dat n SER 32 Cb 0.00 -0.79 -0.08 0.00 -0.26 0.00 0.00 64.21 63.08 2dat n SER 32 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dat n GLY 33 N 1.48 -0.23 2.98 5.00 0.00 -1.26 -4.87 105.19 108.29 2dat n GLY 33 Ca 0.25 0.11 -0.32 0.00 0.00 0.00 0.00 46.02 46.07 2dat n GLY 33 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dat s ARG 34 N -6.81 2.17 0.00 1.61 6.06 -1.26 -4.99 118.95 115.74 2dat s ARG 34 Ca 0.37 -2.66 -0.37 0.00 -2.50 0.00 0.00 55.73 50.57 2dat s ARG 34 Cb -0.22 -3.44 -0.16 0.00 0.06 0.00 0.00 34.95 31.20 2dat s ARG 34 CO 0.92 -1.14 1.50 0.00 -2.50 0.00 0.00 175.30 174.08 2dat n GLN 35 N 3.12 1.35 0.23 5.12 10.64 -1.25 -4.10 117.38 132.49 2dat n GLN 35 Ca 0.07 0.49 0.13 0.00 -1.83 0.00 0.00 57.00 55.86 2dat n GLN 35 Cb 0.34 -2.17 0.34 0.00 -0.86 0.00 0.00 30.24 27.88 2dat n GLN 35 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 2dat h LEU 36 N 5.65 0.00 -0.92 2.61 4.07 -1.82 -3.14 115.31 121.76 2dat h LEU 36 Ca -0.47 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.49 2dat h LEU 36 Cb 1.32 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.06 2dat h LEU 36 CO 0.85 0.04 0.12 -1.54 -1.08 0.00 0.00 178.44 176.82 2dat n SER 37 N -3.12 0.36 -0.08 -0.43 3.41 -1.26 -2.50 113.62 110.00 2dat n SER 37 Ca 0.03 0.61 -0.09 0.00 -0.26 0.00 0.00 58.87 59.16 2dat n SER 37 Cb 0.46 -0.63 -0.03 0.00 -0.26 0.00 0.00 64.21 63.76 2dat n SER 37 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2dat h GLU 38 N 0.00 -0.31 0.00 4.33 5.08 -1.87 0.66 114.58 122.47 2dat h GLU 38 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2dat h GLU 38 Cb 0.25 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2dat h GLU 38 CO 0.00 -0.21 0.00 1.33 -1.00 0.00 0.00 179.01 179.13 2dat n VAL 39 N -5.42 0.00 -1.31 3.13 0.24 -1.04 -2.42 118.33 111.51 2dat n VAL 39 Ca -0.01 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.36 2dat n VAL 39 Cb 0.34 -0.35 0.09 0.00 -1.47 0.00 0.00 33.84 32.45 2dat n VAL 39 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2dat n PHE 40 N -0.72 0.00 0.00 6.34 3.72 0.21 -4.87 117.46 122.14 2dat n PHE 40 Ca 0.08 -0.67 0.00 0.00 -0.05 0.00 0.00 57.45 56.81 2dat n PHE 40 Cb 0.04 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 38.46 2dat n PHE 40 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2dat n ILE 41 N -0.95 0.00 -3.79 4.37 2.08 0.13 -2.32 119.36 118.88 2dat n ILE 41 Ca 0.10 0.25 -0.32 0.00 0.56 0.00 0.00 62.75 63.35 2dat n ILE 41 Cb 0.64 -0.94 -0.05 0.00 -0.75 0.00 0.00 39.64 38.55 2dat n ILE 41 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 2dat s GLN 42 N -0.50 3.54 0.18 0.38 -0.21 -1.26 -3.98 119.66 117.81 2dat s GLN 42 Ca 0.00 -0.23 0.04 0.00 0.02 0.00 0.00 55.36 55.19 2dat s GLN 42 Cb 0.00 -2.97 -0.04 0.00 1.00 0.00 0.00 33.01 31.00 2dat s GLN 42 CO 0.00 0.56 0.25 -0.51 -2.12 0.00 0.00 175.29 173.47 2dat s LEU 43 N -2.41 4.14 0.32 2.90 1.43 -1.26 -5.03 118.68 118.77 2dat s LEU 43 Ca 0.36 0.03 -0.28 0.00 -1.03 0.00 0.00 54.13 53.20 2dat s LEU 43 Cb -0.13 -2.71 -0.10 0.00 0.03 0.00 0.00 46.19 43.29 2dat s LEU 43 CO 0.24 0.03 1.22 -2.16 0.23 0.00 0.00 176.35 175.91 2dat s PRO 44 N -3.39 4.41 0.39 1.29 0.04 -1.26 -4.98 135.00 131.50 2dat s PRO 44 Ca 0.33 2.03 -0.27 0.00 0.04 0.00 0.00 61.00 63.13 2dat s PRO 44 Cb -0.10 -3.06 -0.10 0.00 0.04 0.00 0.00 34.50 31.28 2dat s PRO 44 CO 0.27 -0.08 1.44 0.45 0.04 0.00 0.00 177.00 179.12 2dat s SER 45 N -0.70 6.28 0.18 6.66 0.15 -1.26 -4.78 113.70 120.22 2dat s SER 45 Ca 0.48 2.94 -0.14 0.00 0.70 0.00 0.00 55.95 59.94 2dat s SER 45 Cb -0.36 -2.66 0.14 0.00 -1.71 0.00 0.00 66.02 61.43 2dat s SER 45 CO 0.47 -0.91 1.76 0.03 1.20 0.00 0.00 173.24 175.79 2dat h ARG 46 N 2.85 0.35 -0.19 5.44 3.08 -1.94 0.22 114.38 124.20 2dat h ARG 46 Ca -0.51 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 59.58 2dat h ARG 46 Cb 1.24 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 31.15 2dat h ARG 46 CO 0.63 0.23 -0.29 -0.22 -1.07 0.00 0.00 179.97 179.26 2dat h LYS 47 N 0.37 -0.32 0.68 0.04 3.64 -1.96 1.53 116.57 120.55 2dat h LYS 47 Ca 0.22 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.59 2dat h LYS 47 Cb 0.20 0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2dat h LYS 47 CO -0.21 -0.21 -0.33 0.93 -2.27 0.00 0.00 179.45 177.36 2dat h GLU 48 N -0.33 -0.88 -2.35 1.90 4.39 -1.85 -3.37 114.58 112.09 2dat h GLU 48 Ca 0.12 0.06 -0.62 0.00 0.34 0.00 0.00 59.36 59.25 2dat h GLU 48 Cb 0.51 0.20 -0.40 0.00 -0.10 0.00 0.00 28.75 28.96 2dat h GLU 48 CO -0.38 -0.58 -0.44 -0.11 -1.16 0.00 0.00 179.01 176.35 2dat n LEU 49 N -5.38 4.01 -0.01 1.33 7.94 0.76 -4.90 117.00 120.74 2dat n LEU 49 Ca -0.12 -5.40 -0.13 0.00 -1.11 0.00 0.00 56.01 49.25 2dat n LEU 49 Cb 0.36 -0.74 -0.10 0.00 0.53 0.00 0.00 43.42 43.47 2dat n LEU 49 CO 0.28 1.99 0.63 1.55 -1.11 0.00 0.00 177.39 180.74 2dat h PRO 50 N 4.41 -0.01 -1.00 1.96 0.13 0.20 -3.24 132.00 134.47 2dat h PRO 50 Ca 0.20 0.00 0.32 0.00 -0.87 0.00 0.00 66.00 65.65 2dat h PRO 50 Cb 0.66 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.61 2dat h PRO 50 CO 0.88 0.48 0.19 -0.85 -0.23 0.00 0.00 178.00 178.47 2dat n GLU 51 N -4.86 -0.07 -0.32 0.86 0.28 -1.26 0.10 120.64 115.37 2dat n GLU 51 Ca -0.08 1.46 0.17 0.00 -0.16 0.00 0.00 57.16 58.54 2dat n GLU 51 Cb 0.25 -2.41 0.36 0.00 1.43 0.00 0.00 31.44 31.08 2dat n GLU 51 CO 0.00 0.00 0.00 -0.92 -0.16 0.00 0.00 177.13 176.05 2dat h TYR 52 N 0.00 0.65 0.00 -1.84 5.03 -1.94 1.17 116.97 120.04 2dat h TYR 52 Ca 0.68 0.04 -0.07 0.00 2.58 0.00 0.00 58.73 61.97 2dat h TYR 52 Cb 1.57 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 39.71 2dat h TYR 52 CO -0.35 -0.15 -0.31 1.88 -1.32 0.00 0.00 178.16 177.91 2dat h TYR 53 N 0.31 0.00 0.63 -3.82 -1.99 0.48 -2.39 116.97 110.19 2dat h TYR 53 Ca 0.63 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 61.32 2dat h TYR 53 Cb 1.31 0.00 0.01 0.00 2.00 0.00 0.00 36.73 40.05 2dat h TYR 53 CO -0.14 0.31 -0.30 0.93 -0.00 0.00 0.00 178.16 178.96 2dat h GLU 54 N 0.00 -0.82 -0.57 4.88 5.08 0.16 -3.28 114.58 120.03 2dat h GLU 54 Ca -0.00 0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2dat h GLU 54 Cb 0.90 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 2dat h GLU 54 CO 0.04 -0.55 0.27 1.37 -1.00 0.00 0.00 179.01 179.15 2dat h LEU 55 N -1.05 0.75 -9.88 1.33 -0.00 -1.51 -3.42 115.31 101.52 2dat h LEU 55 Ca -0.09 -0.13 -0.48 0.00 -0.00 0.00 0.00 57.88 57.19 2dat h LEU 55 Cb 0.65 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 41.11 2dat h LEU 55 CO 0.14 0.67 0.37 -0.63 -0.00 0.00 0.00 178.44 179.00 2dat s ILE 56 N -5.70 4.03 -0.09 0.15 -1.09 -0.90 -4.97 121.20 112.63 2dat s ILE 56 Ca -0.13 1.71 0.06 0.00 -2.23 0.00 0.00 60.65 60.07 2dat s ILE 56 Cb 0.13 -3.96 -0.10 0.00 -1.58 0.00 0.00 42.46 36.94 2dat s ILE 56 CO 0.78 0.16 0.00 -2.11 -1.23 0.00 0.00 174.94 172.54 2dat n ARG 57 N 0.56 2.11 -3.31 2.79 0.00 -1.26 -4.70 116.66 112.84 2dat n ARG 57 Ca 0.02 0.01 -0.27 0.00 -0.00 0.00 0.00 57.85 57.61 2dat n ARG 57 Cb 0.49 -1.23 -0.07 0.00 -0.00 0.00 0.00 32.46 31.65 2dat n ARG 57 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2dat n LYS 58 N -2.43 2.59 -2.06 2.89 4.76 -1.26 -5.02 118.16 117.64 2dat n LYS 58 Ca -0.16 -4.65 -0.28 0.00 -2.87 0.00 0.00 58.31 50.36 2dat n LYS 58 Cb 0.77 -2.21 -0.06 0.00 -1.84 0.00 0.00 35.03 31.69 2dat n LYS 58 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 2dat n PRO 59 N 0.64 1.60 -3.95 1.97 -0.04 -1.26 -4.88 135.00 129.09 2dat n PRO 59 Ca 0.30 -2.47 -0.22 0.00 -0.04 0.00 0.00 63.50 61.07 2dat n PRO 59 Cb 0.41 -3.73 -0.02 0.00 -0.04 0.00 0.00 33.50 30.12 2dat n PRO 59 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2dat s VAL 60 N 11.04 5.27 0.15 0.52 0.11 -1.26 -5.12 120.40 131.11 2dat s VAL 60 Ca 0.68 -0.90 0.01 0.00 -2.93 0.00 0.00 61.98 58.84 2dat s VAL 60 Cb -0.01 -3.83 -0.04 0.00 -1.53 0.00 0.00 36.38 30.97 2dat s VAL 60 CO 0.14 -0.28 0.01 1.51 -3.33 0.00 0.00 175.10 173.15 2dat s ASP 61 N -3.80 0.91 0.56 3.54 1.47 -1.26 -4.78 116.67 113.30 2dat s ASP 61 Ca 0.34 -1.15 0.24 0.00 1.18 0.00 0.00 52.55 53.16 2dat s ASP 61 Cb -0.09 0.17 1.53 0.00 -0.34 0.00 0.00 42.92 44.18 2dat s ASP 61 CO 0.29 -0.61 2.13 -0.26 0.68 0.00 0.00 175.17 177.41 2dat h PHE 62 N 2.80 0.00 -0.22 2.11 0.04 -1.61 -1.77 116.94 118.29 2dat h PHE 62 Ca -0.36 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.37 2dat h PHE 62 Cb 1.19 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.34 2dat h PHE 62 CO 0.51 0.00 -0.03 0.87 -0.60 0.00 0.00 178.31 179.06 2dat h LYS 63 N 0.00 0.41 0.35 1.51 1.57 -1.81 -2.82 116.57 115.78 2dat h LYS 63 Ca 0.07 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 2dat h LYS 63 Cb 0.31 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2dat h LYS 63 CO -0.00 0.63 -0.17 0.87 -0.57 0.00 0.00 179.45 180.21 2dat h LYS 64 N 0.16 -0.45 -0.53 3.15 1.79 -1.67 -2.22 116.57 116.79 2dat h LYS 64 Ca 0.06 0.03 0.07 0.00 -2.18 0.00 0.00 60.65 58.63 2dat h LYS 64 Cb 0.46 0.10 -0.10 0.00 -1.58 0.00 0.00 32.23 31.11 2dat h LYS 64 CO 0.02 -0.23 -0.49 0.82 -1.08 0.00 0.00 179.45 178.49 2dat h ILE 65 N -0.57 0.05 -0.65 1.86 2.04 -1.50 0.23 117.51 118.98 2dat h ILE 65 Ca -0.05 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.92 2dat h ILE 65 Cb 0.42 0.05 -0.08 0.00 -0.74 0.00 0.00 36.82 36.48 2dat h ILE 65 CO 0.08 0.00 0.25 0.11 0.00 0.00 0.00 178.15 178.58 2dat h LYS 66 N -0.28 0.41 -0.37 2.37 1.57 -1.48 -1.67 116.57 117.11 2dat h LYS 66 Ca 0.14 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.91 2dat h LYS 66 Cb 0.57 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 2dat h LYS 66 CO -0.66 0.27 0.21 1.49 -0.57 0.00 0.00 179.45 180.19 2dat h GLU 67 N 0.42 0.42 -0.18 3.15 4.57 -0.32 -1.08 114.58 121.57 2dat h GLU 67 Ca 0.33 -0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.54 2dat h GLU 67 Cb 0.43 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 2dat h GLU 67 CO -0.33 0.28 0.38 0.00 -1.18 0.00 0.00 179.01 178.16 2dat h ARG 68 N 0.43 0.00 0.00 1.92 2.47 0.32 0.52 114.38 120.05 2dat h ARG 68 Ca 0.15 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.87 2dat h ARG 68 Cb 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 2dat h ARG 68 CO -0.07 0.00 -0.02 0.82 0.56 0.00 0.00 179.97 181.25 2dat h ILE 69 N 0.00 0.00 -0.15 2.04 2.04 -0.99 -1.49 117.51 118.97 2dat h ILE 69 Ca 0.09 -0.41 0.04 0.00 1.00 0.00 0.00 64.86 65.58 2dat h ILE 69 Cb 0.85 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 2dat h ILE 69 CO -0.00 0.00 0.32 0.08 0.00 0.00 0.00 178.15 178.55 2dat h ARG 70 N -0.41 0.00 -0.65 2.37 0.11 -1.19 0.65 114.38 115.26 2dat h ARG 70 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2dat h ARG 70 Cb 0.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.10 2dat h ARG 70 CO 0.00 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.16 2dat n ASN 71 N -3.28 3.52 -2.39 0.08 3.02 0.15 -4.89 115.26 111.46 2dat n ASN 71 Ca 0.01 -2.40 -0.06 0.00 -0.03 0.00 0.00 54.58 52.11 2dat n ASN 71 Cb 0.42 -0.52 -0.01 0.00 -0.61 0.00 0.00 39.78 39.06 2dat n ASN 71 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2dat n HIS 72 N 0.55 -1.49 0.09 3.10 8.25 0.23 -4.74 115.22 121.21 2dat n HIS 72 Ca 0.17 0.09 -0.10 0.00 -0.26 0.00 0.00 57.72 57.62 2dat n HIS 72 Cb 0.70 -0.91 -0.07 0.00 1.12 0.00 0.00 29.99 30.84 2dat n HIS 72 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2dat h LYS 73 N -0.11 -0.30 -6.35 -0.41 1.63 -1.46 -3.44 116.57 106.13 2dat h LYS 73 Ca -0.08 0.02 -0.54 0.00 -0.85 0.00 0.00 60.65 59.20 2dat h LYS 73 Cb 0.85 0.07 0.23 0.00 -0.60 0.00 0.00 32.23 32.77 2dat h LYS 73 CO 0.12 0.05 -1.25 0.66 -3.45 0.00 0.00 179.45 175.58 2dat n TYR 74 N -4.99 -3.43 -0.07 1.91 4.01 -1.11 -4.94 117.16 108.54 2dat n TYR 74 Ca -0.07 0.10 -0.07 0.00 -0.16 0.00 0.00 57.90 57.70 2dat n TYR 74 Cb 0.25 -1.60 -0.12 0.00 -0.31 0.00 0.00 39.34 37.55 2dat n TYR 74 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2dat n ARG 75 N 0.60 1.52 -3.57 -0.72 3.00 -1.26 -5.02 116.66 111.20 2dat n ARG 75 Ca 0.02 -0.01 -0.08 0.00 -0.01 0.00 0.00 57.85 57.78 2dat n ARG 75 Cb 0.54 -1.39 -0.02 0.00 0.00 0.00 0.00 32.46 31.60 2dat n ARG 75 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2dat s SER 76 N -4.85 -0.35 0.31 0.55 0.15 -1.26 -5.03 113.70 103.21 2dat s SER 76 Ca -0.07 -0.15 0.06 0.00 0.70 0.00 0.00 55.95 56.49 2dat s SER 76 Cb 0.05 0.48 0.84 0.00 -1.71 0.00 0.00 66.02 65.68 2dat s SER 76 CO 0.62 -0.82 1.65 0.25 1.20 0.00 0.00 173.24 176.15 2dat h LEU 77 N 2.00 0.19 -0.81 3.45 5.85 -1.97 -1.28 115.31 122.74 2dat h LEU 77 Ca -0.25 0.19 0.10 0.00 0.84 0.00 0.00 57.88 58.77 2dat h LEU 77 Cb 1.25 0.22 -0.12 0.00 0.37 0.00 0.00 40.66 42.38 2dat h LEU 77 CO 0.30 -0.14 -0.50 1.23 -0.34 0.00 0.00 178.44 178.99 2dat h GLY 78 N 0.26 -0.55 -0.62 3.75 0.00 -2.01 -1.63 103.07 102.27 2dat h GLY 78 Ca 0.62 0.66 0.06 0.00 0.00 0.00 0.00 47.33 48.67 2dat h GLY 78 CO -0.64 -0.09 -0.43 -0.55 0.00 0.00 0.00 176.54 174.84 2dat h ASP 79 N -0.11 -1.53 -0.79 0.19 3.32 -1.64 -0.73 116.42 115.13 2dat h ASP 79 Ca 0.20 0.23 0.09 0.00 0.02 0.00 0.00 57.03 57.56 2dat h ASP 79 Cb 0.52 0.67 -0.11 0.00 0.22 0.00 0.00 39.33 40.63 2dat h ASP 79 CO -0.84 -0.20 -0.41 -0.11 -1.72 0.00 0.00 179.24 175.96 2dat n LEU 80 N -4.65 -0.71 -0.06 1.55 7.94 -0.62 -0.97 117.00 119.49 2dat n LEU 80 Ca 0.00 1.39 -0.04 0.00 -1.11 0.00 0.00 56.01 56.25 2dat n LEU 80 Cb 0.20 -0.23 -0.03 0.00 0.53 0.00 0.00 43.42 43.89 2dat n LEU 80 CO -0.09 -1.17 0.50 -0.08 -1.11 0.00 0.00 177.39 175.44 2dat h GLU 81 N 0.00 -0.10 -0.80 1.96 4.81 -1.02 0.15 114.58 119.57 2dat h GLU 81 Ca 0.18 0.01 0.19 0.00 -0.13 0.00 0.00 59.36 59.60 2dat h GLU 81 Cb 0.38 0.02 -0.15 0.00 0.63 0.00 0.00 28.75 29.63 2dat h GLU 81 CO -0.75 -0.07 -0.11 1.63 -0.73 0.00 0.00 179.01 178.98 2dat n LYS 82 N -3.56 -0.07 0.14 1.92 5.02 -0.14 0.44 118.16 121.92 2dat n LYS 82 Ca -0.01 1.22 -0.14 0.00 -2.02 0.00 0.00 58.31 57.37 2dat n LYS 82 Cb 0.10 -1.88 -0.08 0.00 -0.02 0.00 0.00 35.03 33.16 2dat n LYS 82 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2dat h ASP 83 N 0.00 -0.30 0.06 4.39 3.32 -0.67 -2.28 116.42 120.94 2dat h ASP 83 Ca 0.43 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.33 2dat h ASP 83 Cb 0.76 0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.36 2dat h ASP 83 CO -0.79 -0.01 -0.35 0.58 -1.72 0.00 0.00 179.24 176.95 2dat h VAL 84 N -0.59 0.00 -1.07 -1.35 2.07 0.27 0.14 116.25 115.72 2dat h VAL 84 Ca -0.04 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.77 2dat h VAL 84 Cb 0.43 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.10 2dat h VAL 84 CO 0.06 0.00 0.69 0.24 0.02 0.00 0.00 177.57 178.58 2dat h MET 85 N -0.49 0.34 0.14 1.57 2.86 -0.95 -0.35 114.93 118.06 2dat h MET 85 Ca -0.00 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 2dat h MET 85 Cb 0.50 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.08 2dat h MET 85 CO -0.20 0.23 -0.07 1.25 1.06 0.00 0.00 176.91 179.18 2dat h LEU 86 N 0.36 -0.16 -1.87 1.22 5.85 -0.58 -0.88 115.31 119.23 2dat h LEU 86 Ca 0.62 -0.28 0.21 0.00 0.84 0.00 0.00 57.88 59.27 2dat h LEU 86 Cb 1.62 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.66 2dat h LEU 86 CO -0.31 0.20 0.66 0.25 -0.34 0.00 0.00 178.44 178.91 2dat h LEU 87 N -0.55 0.00 0.00 2.25 6.46 0.98 0.73 115.31 125.18 2dat h LEU 87 Ca -0.02 0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 57.60 2dat h LEU 87 Cb 0.43 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.33 2dat h LEU 87 CO 0.03 0.00 -1.41 0.00 -0.62 0.00 0.00 178.44 176.45 2dat h HIS 89 N 0.00 -0.06 0.00 0.00 -0.00 0.18 -3.14 115.15 112.14 2dat h HIS 89 Ca -0.14 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.22 2dat h HIS 89 Cb 1.49 0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.92 2dat h HIS 89 CO 0.00 0.56 0.06 -2.95 -0.00 0.00 0.00 177.93 175.60 2dat h ASN 90 N -0.76 0.00 0.14 3.26 7.08 -1.23 -2.16 115.58 121.92 2dat h ASN 90 Ca -0.01 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.21 2dat h ASN 90 Cb 0.64 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.88 2dat h ASN 90 CO 0.01 0.00 -0.07 0.00 -2.08 0.00 0.00 177.43 175.29 2dat h ALA 91 N 1.85 -0.19 0.00 4.14 0.00 -1.67 -3.01 119.26 120.38 2dat h ALA 91 Ca 0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 2dat h ALA 91 Cb 0.13 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2dat h ALA 91 CO 0.00 -0.35 -0.29 1.96 0.00 0.00 0.00 179.25 180.57 2dat h GLN 92 N -0.71 0.00 -0.53 0.00 4.20 -1.46 0.14 115.11 116.76 2dat h GLN 92 Ca -0.02 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 2dat h GLN 92 Cb 0.51 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 2dat h GLN 92 CO 0.03 0.29 0.15 1.15 -0.67 0.00 0.00 178.83 179.78 2dat h THR 93 N 0.00 1.21 0.00 -0.54 2.02 -1.46 -3.32 112.91 110.82 2dat h THR 93 Ca -0.00 -0.73 -0.16 0.00 0.77 0.00 0.00 66.41 66.28 2dat h THR 93 Cb 0.60 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 2dat h THR 93 CO 0.04 0.28 -1.24 0.33 0.37 0.00 0.00 175.52 175.30 2dat n PHE 94 N -4.30 0.57 -1.73 3.16 7.35 -1.04 -4.96 117.46 116.50 2dat n PHE 94 Ca 0.04 0.25 -0.34 0.00 -0.76 0.00 0.00 57.45 56.64 2dat n PHE 94 Cb 0.20 -0.85 0.06 0.00 0.35 0.00 0.00 39.48 39.24 2dat n PHE 94 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 2dat s ASN 95 N -6.44 4.86 0.92 -2.13 0.01 0.47 -5.01 114.94 107.61 2dat s ASN 95 Ca -0.27 2.20 -0.12 0.00 -0.71 0.00 0.00 52.86 53.97 2dat s ASN 95 Cb 0.06 -2.57 0.14 0.00 0.41 0.00 0.00 41.25 39.29 2dat s ASN 95 CO 0.42 -1.81 1.09 -0.76 -1.51 0.00 0.00 177.10 174.54 2dat s LEU 96 N -4.74 2.06 0.72 0.60 2.01 -1.26 -4.64 118.68 113.43 2dat s LEU 96 Ca 0.72 1.37 -0.11 0.00 0.01 0.00 0.00 54.13 56.11 2dat s LEU 96 Cb -0.25 -3.72 0.03 0.00 0.01 0.00 0.00 46.19 42.25 2dat s LEU 96 CO 0.40 -2.76 1.07 -1.61 1.01 0.00 0.00 176.35 174.47 2dat s GLU 97 N -4.97 2.67 0.00 1.70 2.02 -1.26 -3.33 118.70 115.53 2dat s GLU 97 Ca 0.64 1.07 0.00 0.00 0.02 0.00 0.00 54.97 56.70 2dat s GLU 97 Cb -0.18 -1.95 0.00 0.00 0.10 0.00 0.00 34.13 32.10 2dat s GLU 97 CO 0.57 -1.32 0.00 0.41 0.02 0.00 0.00 175.26 174.94 2dat n GLY 98 N -1.55 -0.34 3.94 -1.39 0.00 -1.26 -4.85 105.19 99.74 2dat n GLY 98 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 2dat n GLY 98 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dat s SER 99 N -1.53 4.98 0.14 1.61 0.15 -1.21 -4.89 113.70 112.96 2dat s SER 99 Ca 0.00 0.29 -0.24 0.00 0.70 0.00 0.00 55.95 56.70 2dat s SER 99 Cb 0.00 -1.03 0.00 0.00 -1.71 0.00 0.00 66.02 63.28 2dat s SER 99 CO 0.00 -1.43 1.62 1.56 1.20 0.00 0.00 173.24 176.18 2dat h GLN 100 N -0.36 -0.32 -0.10 5.44 1.08 -1.89 -1.72 115.11 117.24 2dat h GLN 100 Ca -0.44 0.02 -0.14 0.00 -1.45 0.00 0.00 58.65 56.64 2dat h GLN 100 Cb 1.31 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.80 2dat h GLN 100 CO 0.57 -0.21 -0.56 0.82 -0.95 0.00 0.00 178.83 178.50 2dat h ILE 101 N -0.33 1.36 -0.07 2.54 2.04 -1.94 -3.18 117.51 117.93 2dat h ILE 101 Ca 0.12 -1.87 0.01 0.00 1.00 0.00 0.00 64.86 64.11 2dat h ILE 101 Cb 0.51 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 2dat h ILE 101 CO -0.38 0.56 -0.09 0.22 0.00 0.00 0.00 178.15 178.46 2dat h TYR 102 N 0.23 -0.29 -0.81 1.37 3.20 -1.53 -1.22 116.97 117.91 2dat h TYR 102 Ca 0.00 0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.00 2dat h TYR 102 Cb 1.06 0.14 -0.08 0.00 1.54 0.00 0.00 36.73 39.39 2dat h TYR 102 CO 0.03 -0.08 0.43 0.93 -1.64 0.00 0.00 178.16 177.83 2dat h GLU 103 N -0.06 0.67 -1.06 1.82 5.08 -1.59 -0.57 114.58 118.86 2dat h GLU 103 Ca 0.01 -0.04 0.29 0.00 -1.00 0.00 0.00 59.36 58.62 2dat h GLU 103 Cb 0.10 -0.15 -0.11 0.00 0.50 0.00 0.00 28.75 29.09 2dat h GLU 103 CO -0.10 0.44 0.66 0.22 -1.00 0.00 0.00 179.01 179.23 2dat h ASP 104 N 0.69 0.49 -0.09 1.42 1.82 -1.24 0.14 116.42 119.64 2dat h ASP 104 Ca 0.41 0.12 -0.10 0.00 -0.39 0.00 0.00 57.03 57.07 2dat h ASP 104 Cb 0.48 0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.54 2dat h ASP 104 CO -0.30 0.03 -0.32 0.77 -1.61 0.00 0.00 179.24 177.81 2dat h SER 105 N 0.39 0.44 -0.07 2.28 4.64 -0.06 -2.99 113.55 118.18 2dat h SER 105 Ca 0.65 -0.61 -0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2dat h SER 105 Cb 1.59 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 63.55 2dat h SER 105 CO -0.40 0.98 0.04 0.40 -0.87 0.00 0.00 176.83 176.98 2dat h ILE 106 N -0.07 1.03 0.52 0.95 5.03 -0.61 -3.07 117.51 121.29 2dat h ILE 106 Ca -0.01 -0.10 -0.03 0.00 -0.12 0.00 0.00 64.86 64.60 2dat h ILE 106 Cb 0.95 0.93 0.01 0.00 -3.03 0.00 0.00 36.82 35.67 2dat h ILE 106 CO 0.07 0.04 -0.25 0.58 -0.68 0.00 0.00 178.15 177.91 2dat h VAL 107 N 0.12 0.00 -0.72 1.67 2.07 -0.89 -3.15 116.25 115.34 2dat h VAL 107 Ca 0.03 -0.28 0.30 0.00 0.82 0.00 0.00 66.70 67.57 2dat h VAL 107 Cb 0.02 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.66 2dat h VAL 107 CO -0.00 0.00 0.39 0.18 0.02 0.00 0.00 177.57 178.16 2dat n LEU 108 N -4.66 0.25 0.43 2.57 4.77 -1.14 0.88 117.00 120.11 2dat n LEU 108 Ca -0.09 1.20 -0.19 0.00 -0.03 0.00 0.00 56.01 56.90 2dat n LEU 108 Cb 0.27 -0.58 -0.09 0.00 -2.33 0.00 0.00 43.42 40.69 2dat n LEU 108 CO 0.21 -1.34 0.59 1.56 -1.33 0.00 0.00 177.39 177.08 2dat h GLN 109 N 0.00 -1.03 -0.72 3.23 4.20 -1.56 -1.19 115.11 118.03 2dat h GLN 109 Ca 0.61 0.07 0.21 0.00 0.06 0.00 0.00 58.65 59.60 2dat h GLN 109 Cb 1.63 0.24 -0.03 0.00 0.30 0.00 0.00 27.48 29.61 2dat h GLN 109 CO -0.55 -0.69 0.68 1.03 -0.67 0.00 0.00 178.83 178.63 2dat h SER 110 N -1.10 0.00 0.34 1.46 0.87 0.50 0.37 113.55 116.00 2dat h SER 110 Ca -0.11 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.13 2dat h SER 110 Cb 0.83 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.82 2dat h SER 110 CO 0.18 0.00 -1.41 0.58 -0.53 0.00 0.00 176.83 175.66 2dat h VAL 111 N 0.00 1.34 0.66 2.23 2.07 -0.93 -3.21 116.25 118.40 2dat h VAL 111 Ca 0.34 -2.77 -0.03 0.00 0.82 0.00 0.00 66.70 65.06 2dat h VAL 111 Cb 1.70 2.99 0.01 0.00 -1.52 0.00 0.00 31.29 34.46 2dat h VAL 111 CO -0.00 0.83 -0.32 0.15 0.02 0.00 0.00 177.57 178.24 2dat h PHE 112 N 0.14 -0.83 -0.78 1.57 3.57 0.91 0.33 116.94 121.86 2dat h PHE 112 Ca -0.22 -0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.44 2dat h PHE 112 Cb 2.10 0.27 -0.13 0.00 2.79 0.00 0.00 35.95 40.98 2dat h PHE 112 CO 0.11 -0.48 0.01 0.87 -2.23 0.00 0.00 178.31 176.60 2dat h LYS 113 N -1.11 0.10 -0.25 1.11 1.57 -1.47 0.12 116.57 116.64 2dat h LYS 113 Ca -0.09 -0.01 -0.18 0.00 -1.87 0.00 0.00 60.65 58.50 2dat h LYS 113 Cb 0.72 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.01 2dat h LYS 113 CO 0.15 0.07 -0.58 0.77 -0.57 0.00 0.00 179.45 179.29 2dat h SER 114 N 0.10 0.88 -1.13 0.86 0.02 -1.55 -3.06 113.55 109.68 2dat h SER 114 Ca 0.43 -0.48 0.32 0.00 -0.84 0.00 0.00 61.79 61.22 2dat h SER 114 Cb 0.77 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 63.00 2dat h SER 114 CO -0.68 1.26 0.80 0.00 -1.14 0.00 0.00 176.83 177.07 2dat h ALA 115 N 0.75 2.99 0.13 3.77 0.00 0.24 0.25 119.26 127.39 2dat h ALA 115 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2dat h ALA 115 Cb 1.17 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2dat h ALA 115 CO 0.12 -1.32 -0.06 0.00 0.00 0.00 0.00 179.25 177.98 2dat h ARG 116 N 0.04 -0.17 0.00 0.00 3.08 -1.34 -3.17 114.38 112.82 2dat h ARG 116 Ca 0.55 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.61 2dat h ARG 116 Cb 2.10 0.04 0.00 0.00 0.08 0.00 0.00 29.97 32.19 2dat h ARG 116 CO -0.04 0.27 0.00 0.00 -1.07 0.00 0.00 179.97 179.13 2dat n GLN 117 N -4.88 0.73 -3.95 0.04 -0.00 -0.36 -4.76 117.38 104.20 2dat n GLN 117 Ca -0.07 0.00 -0.30 0.00 -0.00 0.00 0.00 57.00 56.63 2dat n GLN 117 Cb 0.26 -1.27 -0.04 0.00 -0.00 0.00 0.00 30.24 29.19 2dat n GLN 117 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2dat s SER 118 N -1.66 6.21 -0.16 2.61 0.15 0.75 -5.08 113.70 116.51 2dat s SER 118 Ca 0.19 0.20 -0.33 0.00 0.70 0.00 0.00 55.95 56.71 2dat s SER 118 Cb 0.09 -1.87 0.14 0.00 -1.71 0.00 0.00 66.02 62.66 2dat s SER 118 CO 0.14 0.15 1.14 -0.83 1.20 0.00 0.00 173.24 175.04 2dat s GLY 119 N -2.62 -0.28 0.54 9.45 0.00 -1.26 -4.94 107.32 108.21 2dat s GLY 119 Ca 0.34 1.67 0.32 0.00 0.00 0.00 0.00 44.72 47.05 2dat s GLY 119 CO 0.27 0.61 1.98 -0.56 0.00 0.00 0.00 173.10 175.40 2dat h PRO 120 N 2.07 0.00 -5.89 2.90 0.13 -2.00 -3.43 132.00 125.78 2dat h PRO 120 Ca -0.12 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.34 2dat h PRO 120 Cb 1.18 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.15 2dat h PRO 120 CO 0.25 0.04 -0.64 0.45 -0.23 0.00 0.00 178.00 177.88 2dat s SER 121 N -5.77 5.09 -0.30 1.44 0.15 -1.26 -5.09 113.70 107.96 2dat s SER 121 Ca 0.01 0.08 -0.06 0.00 0.70 0.00 0.00 55.95 56.67 2dat s SER 121 Cb 0.09 -1.48 0.02 0.00 -1.71 0.00 0.00 66.02 62.94 2dat s SER 121 CO 0.55 0.34 0.07 -0.44 1.20 0.00 0.00 173.24 174.96 2dat s SER 122 N -0.66 5.07 0.00 5.45 0.01 -1.26 -5.11 113.70 117.21 2dat s SER 122 Ca 0.10 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.53 2dat s SER 122 Cb -0.12 -1.85 0.00 0.00 0.21 0.00 0.00 66.02 64.26 2dat s SER 122 CO 0.02 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.07