#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dat s SER 2 N 0.00 6.18 -0.94 1.61 0.01 -1.26 -4.92 113.70 114.38 2dat s SER 2 Ca 0.00 -0.98 -0.08 0.00 1.31 0.00 0.00 55.95 56.20 2dat s SER 2 Cb 0.00 -2.56 0.24 0.00 0.21 0.00 0.00 66.02 63.90 2dat s SER 2 CO 0.00 -1.79 0.88 -0.55 0.41 0.00 0.00 173.24 172.19 2dat s SER 3 N 5.16 6.67 -0.04 2.44 0.15 -1.26 -5.04 113.70 121.77 2dat s SER 3 Ca 0.47 -3.32 -0.02 0.00 0.70 0.00 0.00 55.95 53.77 2dat s SER 3 Cb -0.04 -2.11 -0.04 0.00 -1.71 0.00 0.00 66.02 62.13 2dat s SER 3 CO -0.00 -0.34 0.10 -0.83 1.20 0.00 0.00 173.24 173.37 2dat s GLY 4 N 1.13 2.05 0.01 9.45 0.00 -1.26 -5.10 107.32 113.60 2dat s GLY 4 Ca 0.25 -0.80 -0.10 0.00 0.00 0.00 0.00 44.72 44.08 2dat s GLY 4 CO -0.09 -0.64 0.32 -0.56 0.00 0.00 0.00 173.10 172.14 2dat s SER 5 N -1.54 6.61 -0.02 1.64 0.01 -1.26 -5.10 113.70 114.04 2dat s SER 5 Ca 0.21 0.72 -0.01 0.00 1.31 0.00 0.00 55.95 58.18 2dat s SER 5 Cb -0.12 -2.16 0.01 0.00 0.21 0.00 0.00 66.02 63.96 2dat s SER 5 CO 0.12 0.28 0.04 -0.94 0.41 0.00 0.00 173.24 173.14 2dat s SER 6 N -1.44 -0.03 -0.35 2.44 1.04 -1.26 -5.06 113.70 109.04 2dat s SER 6 Ca 0.26 0.08 0.13 0.00 0.48 0.00 0.00 55.95 56.91 2dat s SER 6 Cb -0.14 0.06 0.45 0.00 0.10 0.00 0.00 66.02 66.50 2dat s SER 6 CO 0.14 -0.03 1.05 0.61 0.98 0.00 0.00 173.24 175.98 2dat n GLY 7 N 3.26 3.49 2.90 7.32 0.00 -1.26 -5.05 105.19 115.85 2dat n GLY 7 Ca -0.15 -1.87 -0.20 0.00 0.00 0.00 0.00 46.02 43.79 2dat n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dat s SER 8 N -3.40 1.04 0.03 1.61 0.01 -1.26 -5.12 113.70 106.61 2dat s SER 8 Ca 0.36 -0.15 -0.30 0.00 1.31 0.00 0.00 55.95 57.17 2dat s SER 8 Cb 0.42 -0.49 -0.06 0.00 0.21 0.00 0.00 66.02 66.10 2dat s SER 8 CO -0.05 -0.05 1.43 -2.16 0.41 0.00 0.00 173.24 172.83 2dat s PRO 9 N 0.90 4.28 0.31 12.44 0.04 -1.26 -4.94 135.00 146.77 2dat s PRO 9 Ca -0.11 2.02 -0.17 0.00 0.04 0.00 0.00 61.00 62.78 2dat s PRO 9 Cb -0.14 -3.53 -0.12 0.00 0.04 0.00 0.00 34.50 30.75 2dat s PRO 9 CO 0.00 -0.57 0.08 0.09 0.04 0.00 0.00 177.00 176.65 2dat n ASN 10 N 5.17 -2.18 -4.71 6.66 3.02 -1.26 -4.90 115.26 117.06 2dat n ASN 10 Ca 0.13 0.64 -0.30 0.00 -0.03 0.00 0.00 54.58 55.03 2dat n ASN 10 Cb 0.43 -0.69 0.14 0.00 -0.61 0.00 0.00 39.78 39.06 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 -0.78 1.11 0.04 3.52 0.04 -1.26 -4.83 135.00 132.84 2dat s PRO 11 Ca 0.46 0.76 -0.20 0.00 0.04 0.00 0.00 61.00 62.06 2dat s PRO 11 Cb -0.51 -1.80 -0.14 0.00 0.04 0.00 0.00 34.50 32.09 2dat s PRO 11 CO 0.49 -2.33 1.35 -1.00 0.04 0.00 0.00 177.00 175.55 2dat h PRO 12 N -1.61 0.37 -0.05 0.56 0.13 -1.99 -1.04 132.00 128.38 2dat h PRO 12 Ca -0.50 -0.19 0.01 0.00 -0.87 0.00 0.00 66.00 64.45 2dat h PRO 12 Cb 1.29 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 2dat h PRO 12 CO 0.55 0.75 0.17 1.57 -0.23 0.00 0.00 178.00 180.81 2dat h LYS 13 N 0.00 0.00 0.00 0.86 2.10 -2.00 -0.31 116.57 117.22 2dat h LYS 13 Ca 0.02 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.52 2dat h LYS 13 Cb 0.68 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.99 2dat h LYS 13 CO 0.04 0.00 -1.16 -0.11 -2.00 0.00 0.00 179.45 176.22 2dat n LEU 14 N -3.19 1.87 -0.12 7.07 7.94 -1.13 -3.97 117.00 125.47 2dat n LEU 14 Ca -0.01 0.47 -0.05 0.00 -1.11 0.00 0.00 56.01 55.31 2dat n LEU 14 Cb 0.25 -0.88 0.02 0.00 0.53 0.00 0.00 43.42 43.34 2dat n LEU 14 CO 0.19 -0.03 0.79 0.74 -1.11 0.00 0.00 177.39 177.98 2dat h THR 15 N -1.00 0.60 0.02 1.96 2.02 -0.90 -2.64 112.91 112.97 2dat h THR 15 Ca -0.23 -0.00 0.02 0.00 0.77 0.00 0.00 66.41 66.97 2dat h THR 15 Cb 1.02 0.59 -0.05 0.00 -1.74 0.00 0.00 68.15 67.98 2dat h THR 15 CO -0.14 0.00 -0.49 0.11 0.37 0.00 0.00 175.52 175.38 2dat h LYS 16 N 0.01 -0.60 -0.98 6.66 1.57 -1.28 -1.34 116.57 120.61 2dat h LYS 16 Ca 0.20 0.04 0.27 0.00 -1.87 0.00 0.00 60.65 59.28 2dat h LYS 16 Cb 0.30 0.14 -0.18 0.00 0.08 0.00 0.00 32.23 32.56 2dat h LYS 16 CO -0.41 -0.40 0.02 0.37 -0.57 0.00 0.00 179.45 178.46 2dat h GLN 17 N -0.63 0.01 -0.09 3.15 4.15 -1.60 0.56 115.11 120.67 2dat h GLN 17 Ca 0.01 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 2dat h GLN 17 Cb 0.66 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.35 2dat h GLN 17 CO -0.31 0.01 0.05 0.52 -1.93 0.00 0.00 178.83 177.17 2dat h MET 18 N 0.01 0.13 0.83 1.69 2.86 -1.03 -2.93 114.93 116.50 2dat h MET 18 Ca 0.59 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 58.18 2dat h MET 18 Cb 1.20 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 32.85 2dat h MET 18 CO -0.91 0.14 -0.40 -0.91 1.06 0.00 0.00 176.91 175.88 2dat h ASN 19 N 0.08 -0.95 -0.72 1.22 2.35 0.93 -2.85 115.58 115.66 2dat h ASN 19 Ca 0.03 0.03 0.11 0.00 -0.55 0.00 0.00 56.30 55.92 2dat h ASN 19 Cb 0.04 0.24 -0.12 0.00 0.05 0.00 0.00 38.32 38.54 2dat h ASN 19 CO -0.01 -0.60 -0.28 0.00 -1.65 0.00 0.00 177.43 174.89 2dat n ALA 20 N -2.67 -0.08 0.22 -0.83 0.00 0.11 0.19 120.51 117.46 2dat n ALA 20 Ca -0.14 0.72 -0.11 0.00 0.00 0.00 0.00 53.44 53.90 2dat n ALA 20 Cb 0.45 -0.33 -0.06 0.00 0.00 0.00 0.00 19.45 19.51 2dat n ALA 20 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2dat h ILE 21 N 0.00 0.00 0.06 0.00 2.04 -1.48 -2.26 117.51 115.87 2dat h ILE 21 Ca 0.25 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.11 2dat h ILE 21 Cb 0.43 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 2dat h ILE 21 CO -0.71 0.00 -0.14 0.40 0.00 0.00 0.00 178.15 177.69 2dat h ILE 22 N -0.67 0.00 -1.47 -0.67 1.08 -0.65 0.12 117.51 115.24 2dat h ILE 22 Ca -0.05 0.00 0.45 0.00 -0.39 0.00 0.00 64.86 64.87 2dat h ILE 22 Cb 0.55 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 34.22 2dat h ILE 22 CO 0.02 0.00 1.03 0.47 -0.69 0.00 0.00 178.15 178.98 2dat n ASP 23 N -3.25 0.06 -0.05 1.72 9.92 0.13 -0.19 116.55 124.90 2dat n ASP 23 Ca -0.03 0.94 -0.01 0.00 -0.53 0.00 0.00 54.79 55.16 2dat n ASP 23 Cb 0.12 -0.46 -0.00 0.00 -0.64 0.00 0.00 41.12 40.13 2dat n ASP 23 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2dat h THR 24 N 0.00 0.00 -0.64 -3.53 2.02 -0.56 -2.37 112.91 107.84 2dat h THR 24 Ca 0.76 -0.92 0.13 0.00 0.77 0.00 0.00 66.41 67.15 2dat h THR 24 Cb 2.88 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 69.19 2dat h THR 24 CO -0.14 0.00 0.09 0.58 0.37 0.00 0.00 175.52 176.42 2dat h VAL 25 N -0.92 0.55 -0.23 3.16 2.07 0.19 0.79 116.25 121.86 2dat h VAL 25 Ca 0.00 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 2dat h VAL 25 Cb 0.06 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 2dat h VAL 25 CO 0.00 0.04 -0.02 0.40 0.02 0.00 0.00 177.57 178.00 2dat h ILE 26 N 0.20 1.27 -0.51 4.57 2.04 -0.74 -2.97 117.51 121.37 2dat h ILE 26 Ca 0.34 -0.96 -0.32 0.00 1.00 0.00 0.00 64.86 64.93 2dat h ILE 26 Cb 0.55 1.45 -0.15 0.00 -0.74 0.00 0.00 36.82 37.92 2dat h ILE 26 CO -0.48 0.30 0.41 0.59 0.00 0.00 0.00 178.15 178.96 2dat n ASN 27 N -4.63 5.38 -4.69 1.72 3.02 -0.62 -4.60 115.26 110.84 2dat n ASN 27 Ca -0.04 -3.01 -0.35 0.00 -0.03 0.00 0.00 54.58 51.15 2dat n ASN 27 Cb 0.26 -0.91 -0.09 0.00 -0.61 0.00 0.00 39.78 38.43 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 -1.86 3.31 -0.07 3.10 6.14 0.17 -4.88 117.35 123.26 2dat s TYR 28 Ca 0.32 0.19 0.01 0.00 0.64 0.00 0.00 57.07 58.23 2dat s TYR 28 Cb 0.26 -2.01 -0.03 0.00 0.42 0.00 0.00 41.96 40.60 2dat s TYR 28 CO 0.02 0.32 -0.08 -1.59 0.64 0.00 0.00 175.55 174.86 2dat s LYS 29 N -0.10 2.78 0.64 4.97 -2.85 -1.26 -4.13 119.74 119.79 2dat s LYS 29 Ca 0.07 -0.58 -0.11 0.00 -1.00 0.00 0.00 55.97 54.36 2dat s LYS 29 Cb -0.12 -2.57 0.16 0.00 -2.06 0.00 0.00 37.83 33.24 2dat s LYS 29 CO 0.01 0.62 0.57 -3.47 0.10 0.00 0.00 175.35 173.17 2dat n ASP 30 N 2.36 -1.59 0.20 0.03 2.03 -1.07 -4.93 116.55 113.58 2dat n ASP 30 Ca -0.18 -0.84 0.07 0.00 0.52 0.00 0.00 54.79 54.36 2dat n ASP 30 Cb 0.53 -0.52 0.39 0.00 -0.72 0.00 0.00 41.12 40.80 2dat n ASP 30 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2dat h SER 31 N -1.91 0.00 0.35 1.67 0.02 -2.00 -3.29 113.55 108.39 2dat h SER 31 Ca -0.21 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.72 2dat h SER 31 Cb 0.65 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.20 2dat h SER 31 CO 0.14 0.33 -0.17 -1.28 -1.14 0.00 0.00 176.83 174.71 2dat h SER 32 N 0.00 -0.40 0.00 3.07 0.87 -2.05 -3.48 113.55 111.55 2dat h SER 32 Ca -0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2dat h SER 32 Cb 0.80 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 2dat h SER 32 CO 0.04 -0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.95 2dat n GLY 33 N 0.51 0.09 3.33 5.77 0.00 -1.24 -5.18 105.19 108.48 2dat n GLY 33 Ca -0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 2dat n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dat s ARG 34 N 0.00 1.13 0.20 1.61 1.81 -1.26 -4.98 118.95 117.47 2dat s ARG 34 Ca 0.00 -1.12 -0.20 0.00 -1.72 0.00 0.00 55.73 52.69 2dat s ARG 34 Cb 0.00 0.38 -0.08 0.00 -0.45 0.00 0.00 34.95 34.80 2dat s ARG 34 CO 0.00 -0.42 0.72 -0.65 -0.68 0.00 0.00 175.30 174.28 2dat s GLN 35 N -3.95 4.29 -0.00 3.54 -1.52 -1.26 -2.61 119.66 118.15 2dat s GLN 35 Ca 0.15 0.90 0.11 0.00 -1.95 0.00 0.00 55.36 54.57 2dat s GLN 35 Cb 0.03 -2.96 -0.13 0.00 -0.22 0.00 0.00 33.01 29.73 2dat s GLN 35 CO -0.02 0.44 0.43 1.28 -0.25 0.00 0.00 175.29 177.17 2dat n LEU 36 N 0.92 0.44 -0.04 2.90 4.32 -1.26 -4.52 117.00 119.76 2dat n LEU 36 Ca -0.03 -0.42 -0.11 0.00 -0.02 0.00 0.00 56.01 55.43 2dat n LEU 36 Cb 0.51 0.00 -0.14 0.00 -1.62 0.00 0.00 43.42 42.16 2dat n LEU 36 CO 0.43 0.11 -0.70 -1.54 -1.22 0.00 0.00 177.39 174.47 2dat n SER 37 N -1.36 0.88 -0.30 -1.43 3.41 -1.26 -4.32 113.62 109.24 2dat n SER 37 Ca 0.01 0.30 0.01 0.00 -0.26 0.00 0.00 58.87 58.93 2dat n SER 37 Cb 0.19 0.04 0.08 0.00 -0.26 0.00 0.00 64.21 64.26 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 0.01 -0.03 -0.54 4.33 5.08 -1.87 1.36 114.58 122.92 2dat h GLU 38 Ca -0.36 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.15 2dat h GLU 38 Cb 2.06 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 31.29 2dat h GLU 38 CO 0.07 -0.02 0.38 -0.39 -1.00 0.00 0.00 179.01 178.05 2dat h VAL 39 N -0.03 0.76 0.00 3.13 -1.51 -1.86 0.58 116.25 117.32 2dat h VAL 39 Ca 0.36 -0.02 -0.08 0.00 -1.23 0.00 0.00 66.70 65.73 2dat h VAL 39 Cb 0.60 0.69 -0.01 0.00 -2.13 0.00 0.00 31.29 30.44 2dat h VAL 39 CO -0.86 0.01 -1.32 0.49 -1.23 0.00 0.00 177.57 174.65 2dat n PHE 40 N -4.40 0.84 -0.18 5.19 3.01 0.39 -4.25 117.46 118.08 2dat n PHE 40 Ca 0.10 0.26 -0.02 0.00 1.01 0.00 0.00 57.45 58.80 2dat n PHE 40 Cb 0.57 -0.97 0.05 0.00 -0.01 0.00 0.00 39.48 39.13 2dat n PHE 40 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 2dat h ILE 41 N 0.00 0.48 -3.55 4.37 1.08 0.31 -3.36 117.51 116.85 2dat h ILE 41 Ca -0.09 -0.01 -0.59 0.00 -0.39 0.00 0.00 64.86 63.78 2dat h ILE 41 Cb 1.28 0.46 -0.39 0.00 -3.07 0.00 0.00 36.82 35.10 2dat h ILE 41 CO 0.02 0.00 -0.78 -1.10 -0.69 0.00 0.00 178.15 175.61 2dat s GLN 42 N -6.21 1.39 0.32 2.37 -0.21 -1.21 -4.34 119.66 111.77 2dat s GLN 42 Ca -0.14 -0.91 0.07 0.00 0.02 0.00 0.00 55.36 54.40 2dat s GLN 42 Cb 0.17 -2.49 -0.02 0.00 1.00 0.00 0.00 33.01 31.68 2dat s GLN 42 CO 0.73 -0.63 0.39 -0.48 -2.12 0.00 0.00 175.29 173.17 2dat s LEU 43 N 1.48 3.89 -0.26 2.90 0.05 -1.26 -4.93 118.68 120.55 2dat s LEU 43 Ca -0.04 -0.26 -0.29 0.00 0.05 0.00 0.00 54.13 53.59 2dat s LEU 43 Cb -0.18 -2.58 -0.02 0.00 -2.05 0.00 0.00 46.19 41.35 2dat s LEU 43 CO -0.07 -0.35 1.64 -2.16 -0.55 0.00 0.00 176.35 174.85 2dat s PRO 44 N -4.09 3.68 1.10 1.48 0.04 -1.26 -5.00 135.00 130.96 2dat s PRO 44 Ca 0.42 1.55 -0.18 0.00 0.04 0.00 0.00 61.00 62.83 2dat s PRO 44 Cb -0.08 -4.07 0.28 0.00 0.04 0.00 0.00 34.50 30.67 2dat s PRO 44 CO 0.29 -1.43 0.72 0.43 0.04 0.00 0.00 177.00 177.05 2dat n SER 45 N 8.86 -3.26 -0.08 6.66 7.64 -1.26 -4.36 113.62 127.81 2dat n SER 45 Ca 0.19 -0.77 -0.10 0.00 1.01 0.00 0.00 58.87 59.21 2dat n SER 45 Cb 0.46 -0.78 -0.02 0.00 -1.01 0.00 0.00 64.21 62.86 2dat n SER 45 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2dat h ARG 46 N 0.00 0.38 0.00 1.43 3.08 -1.93 0.29 114.38 117.62 2dat h ARG 46 Ca -0.31 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 59.73 2dat h ARG 46 Cb 1.02 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.95 2dat h ARG 46 CO 0.19 0.32 -0.30 -0.22 -1.07 0.00 0.00 179.97 178.89 2dat h LYS 47 N 0.33 -0.43 0.31 0.04 3.64 -1.96 0.51 116.57 119.01 2dat h LYS 47 Ca 0.10 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 2dat h LYS 47 Cb 0.05 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2dat h LYS 47 CO -0.02 -0.29 -0.15 0.93 -2.27 0.00 0.00 179.45 177.66 2dat h GLU 48 N -0.45 -0.40 -2.76 1.90 4.39 -1.87 -3.39 114.58 111.99 2dat h GLU 48 Ca 0.06 0.03 -0.60 0.00 0.34 0.00 0.00 59.36 59.19 2dat h GLU 48 Cb 0.53 0.09 -0.40 0.00 -0.10 0.00 0.00 28.75 28.88 2dat h GLU 48 CO -0.25 -0.12 -0.80 -1.17 -1.16 0.00 0.00 179.01 175.52 2dat s LEU 49 N -9.65 2.35 0.27 1.33 2.96 0.10 -4.96 118.68 111.08 2dat s LEU 49 Ca -0.15 -2.84 0.05 0.00 -0.22 0.00 0.00 54.13 50.97 2dat s LEU 49 Cb 0.03 -0.85 0.37 0.00 0.50 0.00 0.00 46.19 46.24 2dat s LEU 49 CO 0.58 -0.22 1.65 1.55 -1.32 0.00 0.00 176.35 178.58 2dat h PRO 50 N 6.30 0.29 0.00 0.98 0.13 -0.12 -2.94 132.00 136.63 2dat h PRO 50 Ca 0.10 -0.15 -0.03 0.00 -0.87 0.00 0.00 66.00 65.05 2dat h PRO 50 Cb 0.90 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 2dat h PRO 50 CO 0.45 0.69 -0.12 1.05 -0.23 0.00 0.00 178.00 179.83 2dat h GLU 51 N 0.23 0.00 -0.27 0.86 4.11 -1.93 -1.96 114.58 115.62 2dat h GLU 51 Ca 0.02 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.43 2dat h GLU 51 Cb 0.90 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 2dat h GLU 51 CO 0.07 0.12 0.08 -0.92 0.07 0.00 0.00 179.01 178.44 2dat h TYR 52 N 0.00 0.38 0.00 2.06 3.20 -1.89 -1.02 116.97 119.70 2dat h TYR 52 Ca -0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2dat h TYR 52 Cb 0.24 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.39 2dat h TYR 52 CO 0.00 0.33 -0.25 0.66 -1.64 0.00 0.00 178.16 177.26 2dat n TYR 53 N -4.40 0.72 -0.04 -3.82 4.02 -0.75 -1.83 117.16 111.06 2dat n TYR 53 Ca 0.01 0.21 -0.15 0.00 -0.01 0.00 0.00 57.90 57.96 2dat n TYR 53 Cb 0.15 -0.79 -0.09 0.00 -0.02 0.00 0.00 39.34 38.59 2dat n TYR 53 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 2dat h GLU 54 N 0.00 0.35 0.12 -0.72 4.39 -1.04 -3.36 114.58 114.32 2dat h GLU 54 Ca 0.00 -0.26 -0.32 0.00 0.34 0.00 0.00 59.36 59.12 2dat h GLU 54 Cb 0.72 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 2dat h GLU 54 CO 0.00 0.89 -1.69 1.37 -1.16 0.00 0.00 179.01 178.42 2dat h LEU 55 N -0.11 0.39 -8.94 1.33 -0.00 -1.62 -3.45 115.31 102.91 2dat h LEU 55 Ca -0.01 -0.87 -0.57 0.00 -0.00 0.00 0.00 57.88 56.43 2dat h LEU 55 Cb 0.92 -0.13 -0.03 0.00 -0.00 0.00 0.00 40.66 41.42 2dat h LEU 55 CO 0.06 1.73 1.17 -0.63 -0.00 0.00 0.00 178.44 180.78 2dat s ILE 56 N -2.51 3.65 0.03 0.15 -1.09 -0.76 -4.92 121.20 115.74 2dat s ILE 56 Ca -0.21 0.70 -0.09 0.00 -2.23 0.00 0.00 60.65 58.82 2dat s ILE 56 Cb 0.06 -3.76 -0.03 0.00 -1.58 0.00 0.00 42.46 37.14 2dat s ILE 56 CO 0.76 -0.41 1.14 0.03 -1.23 0.00 0.00 174.94 175.23 2dat h ARG 57 N 11.50 -0.16 -3.18 2.79 2.47 -1.87 -3.39 114.38 122.54 2dat h ARG 57 Ca -0.33 0.01 -0.60 0.00 -1.26 0.00 0.00 59.98 57.80 2dat h ARG 57 Cb 1.15 0.04 -0.40 0.00 -1.65 0.00 0.00 29.97 29.11 2dat h ARG 57 CO 1.02 -0.11 -0.75 0.15 0.56 0.00 0.00 179.97 180.84 2dat s LYS 58 N -3.69 1.04 -0.35 0.04 1.02 -1.26 -5.04 119.74 111.50 2dat s LYS 58 Ca -0.04 -1.63 -0.28 0.00 0.02 0.00 0.00 55.97 54.03 2dat s LYS 58 Cb 0.02 -2.15 -0.01 0.00 -0.52 0.00 0.00 37.83 35.16 2dat s LYS 58 CO 0.15 -1.10 1.69 -1.25 -0.92 0.00 0.00 175.35 173.92 2dat s PRO 59 N 0.85 3.42 0.32 -1.68 0.04 -1.26 -4.87 135.00 131.81 2dat s PRO 59 Ca 0.15 1.31 0.10 0.00 0.04 0.00 0.00 61.00 62.60 2dat s PRO 59 Cb -0.22 -4.15 -0.06 0.00 0.04 0.00 0.00 34.50 30.12 2dat s PRO 59 CO -0.08 -1.76 -0.11 0.54 0.04 0.00 0.00 177.00 175.63 2dat s VAL 60 N 6.45 2.47 0.33 -0.36 0.11 -1.26 -5.13 120.40 123.00 2dat s VAL 60 Ca 0.75 -2.21 0.03 0.00 -2.93 0.00 0.00 61.98 57.61 2dat s VAL 60 Cb -0.20 -2.57 -0.01 0.00 -1.53 0.00 0.00 36.38 32.07 2dat s VAL 60 CO 0.33 -0.28 0.10 -0.90 -3.33 0.00 0.00 175.10 171.03 2dat n ASP 61 N -0.77 1.36 0.09 3.54 5.75 -1.26 -4.74 116.55 120.52 2dat n ASP 61 Ca -0.05 -2.71 -0.02 0.00 -0.01 0.00 0.00 54.79 52.00 2dat n ASP 61 Cb 0.62 0.76 -0.05 0.00 -1.03 0.00 0.00 41.12 41.42 2dat n ASP 61 CO 0.00 0.00 0.00 -0.26 -0.11 0.00 0.00 177.20 176.83 2dat h PHE 62 N 1.50 0.00 0.00 2.11 0.04 -1.76 -2.98 116.94 115.85 2dat h PHE 62 Ca -0.26 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.44 2dat h PHE 62 Cb 0.96 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.10 2dat h PHE 62 CO 0.00 0.72 -0.32 0.87 -0.60 0.00 0.00 178.31 178.98 2dat h LYS 63 N 0.00 0.00 0.00 1.51 1.57 -1.90 -3.18 116.57 114.57 2dat h LYS 63 Ca -0.04 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 2dat h LYS 63 Cb 1.58 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.88 2dat h LYS 63 CO 0.09 0.32 -0.45 0.87 -0.57 0.00 0.00 179.45 179.71 2dat h LYS 64 N 0.00 0.00 -1.26 3.15 1.79 -1.93 -3.08 116.57 115.23 2dat h LYS 64 Ca -0.00 0.00 0.41 0.00 -2.18 0.00 0.00 60.65 58.87 2dat h LYS 64 Cb 0.78 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.30 2dat h LYS 64 CO 0.04 0.84 0.81 0.82 -1.08 0.00 0.00 179.45 180.88 2dat h ILE 65 N -1.00 0.18 0.15 1.86 2.04 -1.57 0.97 117.51 120.14 2dat h ILE 65 Ca -0.12 -0.04 -0.28 0.00 1.00 0.00 0.00 64.86 65.41 2dat h ILE 65 Cb 0.97 0.04 0.01 0.00 -0.74 0.00 0.00 36.82 37.10 2dat h ILE 65 CO -0.07 0.02 -1.29 0.11 0.00 0.00 0.00 178.15 176.93 2dat h LYS 66 N 0.13 0.31 -0.99 2.37 1.57 -1.68 -3.27 116.57 115.02 2dat h LYS 66 Ca 0.79 -0.53 0.26 0.00 -1.87 0.00 0.00 60.65 59.29 2dat h LYS 66 Cb 2.39 0.20 -0.07 0.00 0.08 0.00 0.00 32.23 34.84 2dat h LYS 66 CO -0.42 1.25 0.67 1.49 -0.57 0.00 0.00 179.45 181.87 2dat h GLU 67 N 0.08 0.24 0.09 3.15 4.81 0.11 0.24 114.58 123.31 2dat h GLU 67 Ca -0.16 -0.01 -0.26 0.00 -0.13 0.00 0.00 59.36 58.80 2dat h GLU 67 Cb 2.00 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 31.34 2dat h GLU 67 CO 0.21 0.16 -1.15 0.00 -0.73 0.00 0.00 179.01 177.50 2dat h ARG 68 N 0.25 0.38 -0.29 1.92 3.08 -1.54 -2.29 114.38 115.88 2dat h ARG 68 Ca 0.51 -0.54 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 2dat h ARG 68 Cb 1.56 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 31.78 2dat h ARG 68 CO -0.15 1.22 0.18 0.82 -1.07 0.00 0.00 179.97 180.97 2dat h ILE 69 N 0.16 1.10 0.00 2.04 2.04 -0.61 0.26 117.51 122.49 2dat h ILE 69 Ca -0.13 -0.22 -0.07 0.00 1.00 0.00 0.00 64.86 65.44 2dat h ILE 69 Cb 1.84 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 2dat h ILE 69 CO 0.20 0.10 -0.32 0.08 0.00 0.00 0.00 178.15 178.20 2dat h ARG 70 N 0.38 0.00 -0.67 2.37 0.11 -1.40 -3.00 114.38 112.17 2dat h ARG 70 Ca 0.10 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.18 2dat h ARG 70 Cb -0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2dat h ARG 70 CO -0.02 0.32 0.00 0.09 0.10 0.00 0.00 179.97 180.46 2dat n ASN 71 N -3.29 4.03 -3.41 0.08 3.02 -0.86 -4.90 115.26 109.92 2dat n ASN 71 Ca 0.01 -2.53 -0.20 0.00 -0.03 0.00 0.00 54.58 51.84 2dat n ASN 71 Cb 0.57 -0.58 -0.03 0.00 -0.61 0.00 0.00 39.78 39.13 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 -1.63 0.02 3.10 8.25 -0.52 -4.78 115.22 120.21 2dat n HIS 72 Ca 0.19 0.33 -0.19 0.00 -0.26 0.00 0.00 57.72 57.79 2dat n HIS 72 Cb 0.82 -1.61 -0.12 0.00 1.12 0.00 0.00 29.99 30.20 2dat n HIS 72 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2dat h LYS 73 N -0.46 0.38 -7.02 -0.41 1.79 -0.81 -3.46 116.57 106.58 2dat h LYS 73 Ca -0.29 -0.49 -0.56 0.00 -2.18 0.00 0.00 60.65 57.13 2dat h LYS 73 Cb 1.19 0.16 0.14 0.00 -1.58 0.00 0.00 32.23 32.14 2dat h LYS 73 CO 0.43 1.17 0.56 0.66 -1.08 0.00 0.00 179.45 181.19 2dat n TYR 74 N -4.16 2.18 -0.04 -1.35 4.01 -1.24 -4.94 117.16 111.62 2dat n TYR 74 Ca -0.12 0.43 0.03 0.00 -0.16 0.00 0.00 57.90 58.09 2dat n TYR 74 Cb 0.74 -2.34 -0.15 0.00 -0.31 0.00 0.00 39.34 37.28 2dat n TYR 74 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 2dat n ARG 75 N -1.06 0.76 -3.82 -0.72 1.85 -1.26 -4.97 116.66 107.44 2dat n ARG 75 Ca 0.11 -0.12 -0.04 0.00 -1.00 0.00 0.00 57.85 56.81 2dat n ARG 75 Cb 0.45 -1.46 0.01 0.00 -1.05 0.00 0.00 32.46 30.40 2dat n ARG 75 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 2dat s SER 76 N -4.59 -0.07 0.14 2.89 1.04 -1.26 -5.05 113.70 106.80 2dat s SER 76 Ca -0.08 -0.59 -0.13 0.00 0.48 0.00 0.00 55.95 55.63 2dat s SER 76 Cb 0.10 0.51 -0.01 0.00 0.10 0.00 0.00 66.02 66.72 2dat s SER 76 CO 0.78 -0.99 1.57 0.25 0.98 0.00 0.00 173.24 175.83 2dat h LEU 77 N 2.00 0.80 -0.96 2.42 7.12 -1.97 -3.11 115.31 121.61 2dat h LEU 77 Ca -0.27 -0.33 0.29 0.00 0.13 0.00 0.00 57.88 57.70 2dat h LEU 77 Cb 1.22 -0.22 -0.17 0.00 -0.53 0.00 0.00 40.66 40.97 2dat h LEU 77 CO 0.32 0.94 0.17 1.23 -0.13 0.00 0.00 178.44 180.97 2dat h GLY 78 N 0.64 1.46 0.80 3.75 0.00 -2.01 -0.95 103.07 106.76 2dat h GLY 78 Ca 0.12 0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.46 2dat h GLY 78 CO 0.03 -0.53 -0.38 -1.80 0.00 0.00 0.00 176.54 173.86 2dat h ASP 79 N 0.06 -0.91 -1.31 0.19 3.58 -1.96 -2.74 116.42 113.33 2dat h ASP 79 Ca 0.63 0.03 0.42 0.00 0.42 0.00 0.00 57.03 58.53 2dat h ASP 79 Cb 1.39 0.23 -0.10 0.00 1.72 0.00 0.00 39.33 42.57 2dat h ASP 79 CO -0.83 -0.61 0.88 -0.11 -2.88 0.00 0.00 179.24 175.70 2dat n LEU 80 N -5.08 0.11 0.30 2.28 7.94 -0.39 0.73 117.00 122.89 2dat n LEU 80 Ca -0.13 1.03 -0.15 0.00 -1.11 0.00 0.00 56.01 55.65 2dat n LEU 80 Cb 0.42 -0.51 -0.08 0.00 0.53 0.00 0.00 43.42 43.79 2dat n LEU 80 CO 0.32 -1.09 0.47 -0.08 -1.11 0.00 0.00 177.39 175.90 2dat h GLU 81 N 0.00 -0.74 -0.96 1.96 4.81 -1.17 -2.09 114.58 116.39 2dat h GLU 81 Ca 0.74 0.05 0.17 0.00 -0.13 0.00 0.00 59.36 60.19 2dat h GLU 81 Cb 2.61 0.17 -0.17 0.00 0.63 0.00 0.00 28.75 31.99 2dat h GLU 81 CO -0.25 -0.43 -0.33 0.87 -0.73 0.00 0.00 179.01 178.14 2dat h LYS 82 N -1.05 -0.01 0.00 1.92 1.57 0.35 0.23 116.57 119.59 2dat h LYS 82 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2dat h LYS 82 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 2dat h LYS 82 CO 0.13 -0.01 0.00 -0.25 -0.57 0.00 0.00 179.45 178.75 2dat n ASP 83 N -5.53 0.00 -0.37 0.86 8.00 -1.13 -0.86 116.55 117.52 2dat n ASP 83 Ca 0.12 0.95 -0.06 0.00 0.71 0.00 0.00 54.79 56.51 2dat n ASP 83 Cb 0.43 -0.48 -0.03 0.00 -0.02 0.00 0.00 41.12 41.02 2dat n ASP 83 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2dat n VAL 84 N -1.93 -0.56 -0.34 2.53 0.31 -0.79 0.13 118.33 117.69 2dat n VAL 84 Ca 0.00 2.18 0.05 0.00 -0.01 0.00 0.00 64.34 66.56 2dat n VAL 84 Cb 0.00 -2.78 0.24 0.00 -0.91 0.00 0.00 33.84 30.39 2dat n VAL 84 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 2dat h MET 85 N 0.00 1.00 0.89 5.55 2.86 -0.59 -2.86 114.93 121.78 2dat h MET 85 Ca 0.23 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.76 2dat h MET 85 Cb 0.46 -0.23 0.01 0.00 0.06 0.00 0.00 31.60 31.90 2dat h MET 85 CO -0.88 0.66 -0.43 1.25 1.06 0.00 0.00 176.91 178.57 2dat h LEU 86 N 1.03 -1.02 -0.85 1.22 5.85 0.31 0.36 115.31 122.21 2dat h LEU 86 Ca 0.44 0.04 0.31 0.00 0.84 0.00 0.00 57.88 59.51 2dat h LEU 86 Cb 0.33 0.26 -0.16 0.00 0.37 0.00 0.00 40.66 41.47 2dat h LEU 86 CO -0.20 -0.69 0.30 -0.11 -0.34 0.00 0.00 178.44 177.40 2dat n LEU 87 N -5.45 0.15 0.06 2.25 0.00 0.08 0.15 117.00 114.24 2dat n LEU 87 Ca -0.15 1.43 -0.21 0.00 0.00 0.00 0.00 56.01 57.08 2dat n LEU 87 Cb 0.47 -0.63 -0.13 0.00 0.00 0.00 0.00 43.42 43.14 2dat n LEU 87 CO 0.36 -1.54 0.05 0.00 0.00 0.00 0.00 177.39 176.26 2dat h HIS 89 N 0.08 0.53 -0.50 0.00 3.86 0.36 -1.15 115.15 118.32 2dat h HIS 89 Ca -0.15 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.03 2dat h HIS 89 Cb 1.69 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 29.97 2dat h HIS 89 CO 0.14 0.23 0.14 -0.91 0.86 0.00 0.00 177.93 178.38 2dat h ASN 90 N 0.48 0.74 0.22 2.45 2.35 -0.91 -3.12 115.58 117.79 2dat h ASN 90 Ca 0.34 -0.22 0.01 0.00 -0.55 0.00 0.00 56.30 55.88 2dat h ASN 90 Cb 0.67 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.81 2dat h ASN 90 CO -0.11 0.77 -0.42 0.00 -1.65 0.00 0.00 177.43 176.02 2dat h ALA 91 N 1.00 -0.80 -0.20 -0.83 0.00 -1.27 0.43 119.26 117.58 2dat h ALA 91 Ca 0.16 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.03 2dat h ALA 91 Cb 0.30 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2dat h ALA 91 CO -0.00 -1.01 0.53 1.96 0.00 0.00 0.00 179.25 180.73 2dat h GLN 92 N -0.72 0.00 0.00 0.00 4.20 -1.51 0.89 115.11 117.97 2dat h GLN 92 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2dat h GLN 92 Cb 0.70 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.48 2dat h GLN 92 CO -0.18 0.00 -0.08 1.15 -0.67 0.00 0.00 178.83 179.04 2dat h THR 93 N 0.00 0.61 0.12 -0.54 2.02 -0.90 -3.41 112.91 110.81 2dat h THR 93 Ca 0.10 -1.47 -0.01 0.00 0.77 0.00 0.00 66.41 65.80 2dat h THR 93 Cb 1.16 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 2dat h THR 93 CO -0.00 0.21 -0.06 0.15 0.37 0.00 0.00 175.52 176.19 2dat h PHE 94 N -1.00 -0.14 -4.25 3.16 3.04 -0.16 -3.46 116.94 114.13 2dat h PHE 94 Ca -0.01 -0.00 -0.52 0.00 3.98 0.00 0.00 57.97 61.41 2dat h PHE 94 Cb 0.40 0.05 0.15 0.00 2.56 0.00 0.00 35.95 39.11 2dat h PHE 94 CO 0.08 0.33 0.32 -0.80 -2.02 0.00 0.00 178.31 176.21 2dat s ASN 95 N -5.60 4.04 0.64 0.41 0.01 0.30 -5.02 114.94 109.71 2dat s ASN 95 Ca -0.12 2.10 -0.08 0.00 -0.71 0.00 0.00 52.86 54.05 2dat s ASN 95 Cb -0.00 -2.56 0.02 0.00 0.41 0.00 0.00 41.25 39.12 2dat s ASN 95 CO 0.45 -2.36 0.97 -0.76 -1.51 0.00 0.00 177.10 173.90 2dat s LEU 96 N -5.76 3.09 0.88 0.60 1.43 -1.26 -4.63 118.68 113.02 2dat s LEU 96 Ca 0.67 0.82 -0.11 0.00 -1.03 0.00 0.00 54.13 54.49 2dat s LEU 96 Cb -0.22 -3.62 0.12 0.00 0.03 0.00 0.00 46.19 42.49 2dat s LEU 96 CO 0.51 -1.20 1.10 -1.61 0.23 0.00 0.00 176.35 175.39 2dat s GLU 97 N -5.13 1.34 -0.23 1.70 2.02 -1.26 -2.99 118.70 114.15 2dat s GLU 97 Ca 0.56 1.20 -0.03 0.00 0.02 0.00 0.00 54.97 56.72 2dat s GLU 97 Cb -0.11 -1.79 0.03 0.00 0.10 0.00 0.00 34.13 32.36 2dat s GLU 97 CO 0.47 -2.30 0.07 0.41 0.02 0.00 0.00 175.26 173.94 2dat n GLY 98 N -0.52 -0.35 3.93 -1.39 0.00 -1.26 -4.84 105.19 100.76 2dat n GLY 98 Ca 0.09 0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.65 6.31 0.16 1.61 0.15 -1.16 -4.82 113.70 114.29 2dat s SER 99 Ca 0.10 0.52 -0.30 0.00 0.70 0.00 0.00 55.95 56.97 2dat s SER 99 Cb -0.06 -2.06 -0.04 0.00 -1.71 0.00 0.00 66.02 62.15 2dat s SER 99 CO 0.12 -0.31 1.54 1.56 1.20 0.00 0.00 173.24 177.36 2dat h GLN 100 N 0.81 -0.09 0.00 5.44 7.50 -1.88 0.69 115.11 127.58 2dat h GLN 100 Ca -0.49 0.01 -0.05 0.00 0.50 0.00 0.00 58.65 58.61 2dat h GLN 100 Cb 1.21 0.02 -0.01 0.00 0.05 0.00 0.00 27.48 28.76 2dat h GLN 100 CO 0.62 -0.06 -0.26 0.82 -1.50 0.00 0.00 178.83 178.45 2dat h ILE 101 N -0.09 0.98 0.27 2.54 2.04 -1.94 -3.21 117.51 118.09 2dat h ILE 101 Ca 0.16 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 2dat h ILE 101 Cb 0.48 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 2dat h ILE 101 CO -0.86 0.26 -0.13 0.22 0.00 0.00 0.00 178.15 177.64 2dat h TYR 102 N 0.00 -0.33 -1.43 1.37 3.20 0.08 -2.18 116.97 117.68 2dat h TYR 102 Ca -0.00 -0.01 0.45 0.00 3.14 0.00 0.00 58.73 62.30 2dat h TYR 102 Cb 0.53 0.11 -0.11 0.00 1.54 0.00 0.00 36.73 38.80 2dat h TYR 102 CO 0.00 -0.21 0.96 0.93 -1.64 0.00 0.00 178.16 178.20 2dat h GLU 103 N -0.37 0.07 -0.31 1.82 5.08 -1.08 0.83 114.58 120.62 2dat h GLU 103 Ca -0.04 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 2dat h GLU 103 Cb 0.27 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2dat h GLU 103 CO 0.06 0.05 0.00 -0.44 -1.00 0.00 0.00 179.01 177.68 2dat h ASP 104 N 0.08 0.53 -0.90 1.42 5.19 -1.50 -2.11 116.42 119.13 2dat h ASP 104 Ca 0.81 -0.31 0.08 0.00 -0.62 0.00 0.00 57.03 56.99 2dat h ASP 104 Cb 2.73 -0.14 -0.07 0.00 0.18 0.00 0.00 39.33 42.03 2dat h ASP 104 CO -0.29 0.71 0.55 0.77 -3.12 0.00 0.00 179.24 177.86 2dat h SER 105 N 0.34 0.84 0.15 6.45 4.64 0.13 0.89 113.55 127.00 2dat h SER 105 Ca 0.09 0.03 -0.12 0.00 -0.47 0.00 0.00 61.79 61.32 2dat h SER 105 Cb 0.44 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 2dat h SER 105 CO 0.02 0.51 -0.43 0.40 -0.87 0.00 0.00 176.83 176.46 2dat h ILE 106 N 0.96 1.31 0.36 0.95 5.03 -1.35 -3.16 117.51 121.61 2dat h ILE 106 Ca 0.41 -1.58 -0.02 0.00 -0.12 0.00 0.00 64.86 63.55 2dat h ILE 106 Cb 0.28 1.67 0.00 0.00 -3.03 0.00 0.00 36.82 35.74 2dat h ILE 106 CO -0.21 0.48 -0.17 0.58 -0.68 0.00 0.00 178.15 178.15 2dat h VAL 107 N 0.29 0.00 -0.84 1.67 2.07 -0.50 -3.22 116.25 115.72 2dat h VAL 107 Ca 0.02 -0.45 0.15 0.00 0.82 0.00 0.00 66.70 67.24 2dat h VAL 107 Cb 0.88 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.50 2dat h VAL 107 CO 0.07 0.00 -0.26 0.18 0.02 0.00 0.00 177.57 177.58 2dat n LEU 108 N -4.54 -0.41 -0.10 2.57 4.77 0.18 0.54 117.00 120.01 2dat n LEU 108 Ca -0.06 1.45 -0.07 0.00 -0.03 0.00 0.00 56.01 57.29 2dat n LEU 108 Cb 0.19 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 40.88 2dat n LEU 108 CO 0.14 -1.35 0.66 1.56 -1.33 0.00 0.00 177.39 177.07 2dat h GLN 109 N 0.00 -0.23 -0.81 3.23 4.20 -1.64 0.24 115.11 120.10 2dat h GLN 109 Ca 0.35 0.02 0.21 0.00 0.06 0.00 0.00 58.65 59.29 2dat h GLN 109 Cb 0.56 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.35 2dat h GLN 109 CO -0.85 -0.15 0.56 1.03 -0.67 0.00 0.00 178.83 178.75 2dat h SER 110 N -0.24 0.19 0.59 1.46 0.87 0.09 0.25 113.55 116.76 2dat h SER 110 Ca 0.17 0.02 -0.19 0.00 -1.23 0.00 0.00 61.79 60.56 2dat h SER 110 Cb 0.52 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 2dat h SER 110 CO -0.50 0.08 -0.83 0.58 -0.53 0.00 0.00 176.83 175.63 2dat h VAL 111 N 0.19 1.49 -0.05 2.23 2.07 -0.07 -2.26 116.25 119.86 2dat h VAL 111 Ca 0.40 -2.55 -0.01 0.00 0.82 0.00 0.00 66.70 65.37 2dat h VAL 111 Cb 1.29 2.40 -0.00 0.00 -1.52 0.00 0.00 31.29 33.46 2dat h VAL 111 CO -0.08 0.74 0.01 0.15 0.02 0.00 0.00 177.57 178.41 2dat h PHE 112 N 0.10 0.08 -0.26 1.57 3.57 0.95 -1.37 116.94 121.59 2dat h PHE 112 Ca -0.03 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.40 2dat h PHE 112 Cb 1.44 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.15 2dat h PHE 112 CO 0.02 0.31 -0.05 0.87 -2.23 0.00 0.00 178.31 177.24 2dat h LYS 113 N -0.17 0.49 -0.28 1.11 1.57 -1.48 -0.76 116.57 117.05 2dat h LYS 113 Ca 0.01 -0.18 0.03 0.00 -1.87 0.00 0.00 60.65 58.65 2dat h LYS 113 Cb 0.28 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 2dat h LYS 113 CO 0.00 0.70 0.19 1.03 -0.57 0.00 0.00 179.45 180.80 2dat h SER 114 N 0.25 0.21 0.32 0.86 0.87 -1.40 -1.39 113.55 113.27 2dat h SER 114 Ca 0.07 -0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.30 2dat h SER 114 Cb 0.50 -0.05 0.03 0.00 -0.44 0.00 0.00 62.40 62.45 2dat h SER 114 CO 0.02 0.15 -1.44 0.00 -0.53 0.00 0.00 176.83 175.03 2dat h ALA 115 N 1.84 -0.12 0.41 6.23 0.00 -1.03 -3.02 119.26 123.58 2dat h ALA 115 Ca 0.12 -0.86 -0.02 0.00 0.00 0.00 0.00 54.91 54.15 2dat h ALA 115 Cb 0.17 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2dat h ALA 115 CO -0.02 0.74 -0.20 -0.09 0.00 0.00 0.00 179.25 179.68 2dat h ARG 116 N 0.14 -0.53 -0.46 0.00 2.43 -0.44 -3.03 114.38 112.49 2dat h ARG 116 Ca -0.23 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.01 2dat h ARG 116 Cb 2.13 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 31.76 2dat h ARG 116 CO 0.26 -0.33 0.22 -0.56 -1.51 0.00 0.00 179.97 178.05 2dat h GLN 117 N -0.58 0.43 -5.42 0.20 3.07 -1.42 -3.42 115.11 107.96 2dat h GLN 117 Ca -0.06 -0.03 -0.68 0.00 0.09 0.00 0.00 58.65 57.98 2dat h GLN 117 Cb 0.44 -0.10 -0.04 0.00 0.08 0.00 0.00 27.48 27.86 2dat h GLN 117 CO 0.09 0.28 1.27 0.45 0.09 0.00 0.00 178.83 181.01 2dat n SER 118 N -4.92 0.64 0.00 0.06 2.88 -1.14 -4.59 113.62 106.55 2dat n SER 118 Ca 0.03 0.57 0.00 0.00 -1.33 0.00 0.00 58.87 58.14 2dat n SER 118 Cb 0.13 -0.83 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 2dat n SER 118 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dat n GLY 119 N 6.80 0.99 3.73 0.46 0.00 -1.26 -5.00 105.19 110.91 2dat n GLY 119 Ca 0.52 -1.93 -0.30 0.00 0.00 0.00 0.00 46.02 44.31 2dat n GLY 119 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dat s PRO 120 N -1.74 1.55 0.41 1.61 0.04 -1.26 -4.93 135.00 130.68 2dat s PRO 120 Ca 0.00 0.92 -0.19 0.00 0.04 0.00 0.00 61.00 61.77 2dat s PRO 120 Cb 0.00 -1.83 -0.15 0.00 0.04 0.00 0.00 34.50 32.56 2dat s PRO 120 CO 0.00 -2.06 0.01 0.45 0.04 0.00 0.00 177.00 175.44 2dat n SER 121 N -3.78 -2.96 -2.54 6.66 2.88 -1.26 -4.92 113.62 107.70 2dat n SER 121 Ca 0.08 0.71 -0.13 0.00 -1.33 0.00 0.00 58.87 58.20 2dat n SER 121 Cb 0.55 -0.82 0.03 0.00 -0.75 0.00 0.00 64.21 63.21 2dat n SER 121 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dat n SER 122 N 2.25 2.89 0.00 -3.46 3.41 -1.26 -5.22 113.62 112.23 2dat n SER 122 Ca 0.10 -2.94 0.00 0.00 -0.26 0.00 0.00 58.87 55.77 2dat n SER 122 Cb 0.40 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 2dat n SER 122 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49