#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dat h SER 2 N 0.00 0.69 -4.15 1.61 0.02 -2.11 -3.46 113.55 106.15 2dat h SER 2 Ca 0.00 -0.88 -0.49 0.00 -0.84 0.00 0.00 61.79 59.59 2dat h SER 2 Cb 0.00 -0.22 0.07 0.00 0.14 0.00 0.00 62.40 62.39 2dat h SER 2 CO 0.00 1.50 0.32 -0.44 -1.14 0.00 0.00 176.83 177.07 2dat s SER 3 N -7.21 5.54 0.00 3.07 0.01 -1.26 -4.95 113.70 108.91 2dat s SER 3 Ca -0.11 0.98 0.00 0.00 1.31 0.00 0.00 55.95 58.13 2dat s SER 3 Cb 0.03 -1.87 0.00 0.00 0.21 0.00 0.00 66.02 64.39 2dat s SER 3 CO 0.89 -1.21 0.00 0.61 0.41 0.00 0.00 173.24 173.94 2dat n GLY 4 N -2.83 -1.42 3.17 3.44 0.00 -1.26 -5.07 105.19 101.22 2dat n GLY 4 Ca 0.06 -1.33 -0.20 0.00 0.00 0.00 0.00 46.02 44.55 2dat n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dat s SER 5 N -1.60 1.79 0.21 1.61 0.01 -1.26 -5.09 113.70 109.36 2dat s SER 5 Ca 0.00 -0.53 -0.13 0.00 1.31 0.00 0.00 55.95 56.60 2dat s SER 5 Cb 0.00 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.13 2dat s SER 5 CO 0.00 0.01 0.43 -0.44 0.41 0.00 0.00 173.24 173.65 2dat s SER 6 N -1.39 -0.09 0.28 2.44 0.01 -1.26 -5.19 113.70 108.50 2dat s SER 6 Ca 0.01 -0.79 -0.05 0.00 1.31 0.00 0.00 55.95 56.43 2dat s SER 6 Cb -0.09 0.54 -0.01 0.00 0.21 0.00 0.00 66.02 66.67 2dat s SER 6 CO 0.02 -1.04 0.38 -0.83 0.41 0.00 0.00 173.24 172.18 2dat s GLY 7 N -2.96 1.21 -0.00 3.44 0.00 -1.26 -5.08 107.32 102.66 2dat s GLY 7 Ca 0.17 -1.38 0.03 0.00 0.00 0.00 0.00 44.72 43.55 2dat s GLY 7 CO 0.03 -1.00 -0.09 -0.45 0.00 0.00 0.00 173.10 171.60 2dat s SER 8 N -3.15 4.48 -0.06 1.64 0.15 -1.25 -5.05 113.70 110.46 2dat s SER 8 Ca 0.30 -0.17 -0.30 0.00 0.70 0.00 0.00 55.95 56.48 2dat s SER 8 Cb 0.01 -1.01 -0.05 0.00 -1.71 0.00 0.00 66.02 63.27 2dat s SER 8 CO 0.15 0.29 1.50 -2.16 1.20 0.00 0.00 173.24 174.22 2dat s PRO 9 N -1.31 4.22 0.26 5.44 0.04 -1.26 -4.70 135.00 137.69 2dat s PRO 9 Ca 0.16 2.02 -0.10 0.00 0.04 0.00 0.00 61.00 63.12 2dat s PRO 9 Cb -0.11 -3.81 -0.07 0.00 0.04 0.00 0.00 34.50 30.55 2dat s PRO 9 CO 0.06 -0.74 0.59 -0.80 0.04 0.00 0.00 177.00 176.15 2dat s ASN 10 N 2.61 6.62 1.00 6.66 0.01 -1.26 -5.08 114.94 125.49 2dat s ASN 10 Ca 0.67 0.96 -0.12 0.00 -0.71 0.00 0.00 52.86 53.66 2dat s ASN 10 Cb -0.30 -2.24 0.19 0.00 0.41 0.00 0.00 41.25 39.30 2dat s ASN 10 CO 0.25 -0.13 1.09 -2.16 -1.51 0.00 0.00 177.10 174.65 2dat s PRO 11 N -2.98 0.46 0.46 -0.60 0.04 -1.26 -4.75 135.00 126.37 2dat s PRO 11 Ca 0.48 0.54 0.25 0.00 0.04 0.00 0.00 61.00 62.31 2dat s PRO 11 Cb -0.11 -1.74 1.06 0.00 0.04 0.00 0.00 34.50 33.75 2dat s PRO 11 CO 0.22 -2.72 1.89 -1.00 0.04 0.00 0.00 177.00 175.43 2dat h PRO 12 N -1.88 0.00 -0.03 0.56 0.13 -1.98 -0.68 132.00 128.12 2dat h PRO 12 Ca -0.54 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.37 2dat h PRO 12 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2dat h PRO 12 CO 0.57 0.20 -0.88 1.57 -0.23 0.00 0.00 178.00 179.23 2dat h LYS 13 N 0.00 0.42 0.00 0.86 2.10 -1.99 -2.53 116.57 115.43 2dat h LYS 13 Ca -0.00 -0.41 -0.03 0.00 -2.00 0.00 0.00 60.65 58.21 2dat h LYS 13 Cb 0.64 0.11 -0.00 0.00 -0.90 0.00 0.00 32.23 32.08 2dat h LYS 13 CO 0.03 1.07 -0.30 1.25 -2.00 0.00 0.00 179.45 179.50 2dat h LEU 14 N 0.25 0.00 -0.22 7.07 6.46 -1.89 -3.30 115.31 123.69 2dat h LEU 14 Ca -0.06 -0.21 0.06 0.00 -0.12 0.00 0.00 57.88 57.55 2dat h LEU 14 Cb 1.50 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 41.36 2dat h LEU 14 CO 0.15 0.76 -0.25 0.74 -0.62 0.00 0.00 178.44 179.22 2dat h THR 15 N -1.00 0.38 -0.64 1.05 2.02 -1.28 -2.15 112.91 111.29 2dat h THR 15 Ca -0.04 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.26 2dat h THR 15 Cb 0.45 0.38 -0.12 0.00 -1.74 0.00 0.00 68.15 67.12 2dat h THR 15 CO -0.02 0.00 -0.28 0.50 0.37 0.00 0.00 175.52 176.09 2dat h LYS 16 N -0.27 -0.10 -0.92 6.66 1.63 -1.64 0.21 116.57 122.13 2dat h LYS 16 Ca 0.13 0.01 0.20 0.00 -0.85 0.00 0.00 60.65 60.13 2dat h LYS 16 Cb 0.47 0.02 -0.17 0.00 -0.60 0.00 0.00 32.23 31.95 2dat h LYS 16 CO -0.37 -0.06 -0.18 0.37 -3.45 0.00 0.00 179.45 175.75 2dat h GLN 17 N -0.10 0.01 0.00 1.90 5.75 -1.46 0.14 115.11 121.35 2dat h GLN 17 Ca 0.27 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.77 2dat h GLN 17 Cb 0.54 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.09 2dat h GLN 17 CO -0.71 0.00 0.00 -1.33 -2.65 0.00 0.00 178.83 174.15 2dat n MET 18 N -5.56 0.00 -0.28 1.69 2.81 0.05 -2.33 117.12 113.50 2dat n MET 18 Ca 0.15 0.54 0.07 0.00 -1.81 0.00 0.00 57.70 56.65 2dat n MET 18 Cb 0.51 -1.36 0.17 0.00 -0.71 0.00 0.00 33.22 31.83 2dat n MET 18 CO 0.00 0.00 0.00 -2.95 1.51 0.00 0.00 175.97 174.53 2dat h ASN 19 N 0.00 -0.45 -1.23 7.83 7.08 -1.33 0.55 115.58 128.03 2dat h ASN 19 Ca 0.00 0.22 0.37 0.00 -3.08 0.00 0.00 56.30 53.81 2dat h ASN 19 Cb 0.00 0.40 -0.11 0.00 -2.08 0.00 0.00 38.32 36.54 2dat h ASN 19 CO 0.00 -0.23 0.81 0.00 -2.08 0.00 0.00 177.43 175.93 2dat h ALA 20 N 1.78 2.63 0.00 4.14 0.00 -0.50 0.44 119.26 127.75 2dat h ALA 20 Ca 0.45 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.43 2dat h ALA 20 Cb 0.80 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2dat h ALA 20 CO -0.75 -1.15 -0.02 0.82 0.00 0.00 0.00 179.25 178.14 2dat h ILE 21 N 0.19 0.00 -0.54 0.00 2.04 0.50 -3.35 117.51 116.35 2dat h ILE 21 Ca 0.72 -0.43 0.10 0.00 1.00 0.00 0.00 64.86 66.25 2dat h ILE 21 Cb 2.20 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 38.18 2dat h ILE 21 CO -0.32 0.00 -0.32 0.40 0.00 0.00 0.00 178.15 177.91 2dat h ILE 22 N -0.43 0.21 -0.77 -0.67 1.08 -0.97 -1.84 117.51 114.11 2dat h ILE 22 Ca 0.00 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.54 2dat h ILE 22 Cb 0.02 0.21 -0.10 0.00 -3.07 0.00 0.00 36.82 33.88 2dat h ILE 22 CO 0.00 0.00 -0.44 -0.67 -0.69 0.00 0.00 178.15 176.35 2dat n ASP 23 N -5.43 -0.78 0.09 1.72 2.03 0.15 -0.31 116.55 114.03 2dat n ASP 23 Ca 0.03 1.37 -0.05 0.00 0.52 0.00 0.00 54.79 56.66 2dat n ASP 23 Cb 0.35 -0.19 -0.03 0.00 -0.72 0.00 0.00 41.12 40.53 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 0.00 -0.77 5.18 2.02 -1.47 0.14 112.91 118.01 2dat h THR 24 Ca 0.14 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.39 2dat h THR 24 Cb 0.33 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.65 2dat h THR 24 CO -0.73 0.00 -0.46 0.52 0.37 0.00 0.00 175.52 175.23 2dat n VAL 25 N -3.16 -0.53 -0.12 3.16 0.31 -0.54 0.16 118.33 117.61 2dat n VAL 25 Ca -0.04 2.19 0.15 0.00 -0.01 0.00 0.00 64.34 66.63 2dat n VAL 25 Cb 0.13 -2.73 0.53 0.00 -0.91 0.00 0.00 33.84 30.86 2dat n VAL 25 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2dat h ILE 26 N 0.00 0.82 -0.71 2.52 2.04 -0.64 0.51 117.51 122.05 2dat h ILE 26 Ca 0.12 -0.12 -0.38 0.00 1.00 0.00 0.00 64.86 65.48 2dat h ILE 26 Cb 0.32 0.42 -0.22 0.00 -0.74 0.00 0.00 36.82 36.60 2dat h ILE 26 CO -0.73 0.07 0.31 0.59 0.00 0.00 0.00 178.15 178.39 2dat n ASN 27 N -4.46 3.34 -4.81 1.72 3.02 0.31 -4.48 115.26 109.90 2dat n ASN 27 Ca 0.12 -3.70 -0.28 0.00 -0.03 0.00 0.00 54.58 50.69 2dat n ASN 27 Cb 0.49 -0.75 -0.06 0.00 -0.61 0.00 0.00 39.78 38.86 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 -3.31 3.22 -0.01 3.10 6.14 0.42 -4.87 117.35 122.03 2dat s TYR 28 Ca 0.52 0.05 0.02 0.00 0.64 0.00 0.00 57.07 58.31 2dat s TYR 28 Cb 0.45 -1.59 -0.00 0.00 0.42 0.00 0.00 41.96 41.24 2dat s TYR 28 CO 0.05 0.52 -0.08 -1.59 0.64 0.00 0.00 175.55 175.10 2dat s LYS 29 N -2.76 0.77 -1.33 4.97 -2.85 -1.26 -4.02 119.74 113.26 2dat s LYS 29 Ca 0.31 -0.28 -0.08 0.00 -1.00 0.00 0.00 55.97 54.91 2dat s LYS 29 Cb -0.11 -0.74 0.12 0.00 -2.06 0.00 0.00 37.83 35.04 2dat s LYS 29 CO 0.23 0.14 2.16 -3.47 0.10 0.00 0.00 175.35 174.51 2dat n ASP 30 N 3.09 6.28 -4.40 0.03 2.03 -1.26 -4.68 116.55 117.64 2dat n ASP 30 Ca -0.16 -3.06 -0.36 0.00 0.52 0.00 0.00 54.79 51.73 2dat n ASP 30 Cb 0.56 -1.46 -0.09 0.00 -0.72 0.00 0.00 41.12 39.41 2dat n ASP 30 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2dat n SER 31 N 3.26 -0.28 0.00 1.67 2.88 -1.26 -4.72 113.62 115.16 2dat n SER 31 Ca 0.51 -1.26 0.00 0.00 -1.33 0.00 0.00 58.87 56.80 2dat n SER 31 Cb 0.31 -1.65 0.00 0.00 -0.75 0.00 0.00 64.21 62.12 2dat n SER 31 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dat n SER 32 N -2.71 0.48 0.00 -3.46 2.88 -1.26 -5.06 113.62 104.48 2dat n SER 32 Ca -0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 2dat n SER 32 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 2dat n SER 32 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dat n GLY 33 N 2.05 0.90 3.58 0.46 0.00 -1.26 -5.07 105.19 105.85 2dat n GLY 33 Ca 0.00 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 3.72 0.79 1.61 3.52 -1.26 -5.03 118.95 122.30 2dat s ARG 34 Ca 0.00 0.23 -0.16 0.00 -0.13 0.00 0.00 55.73 55.67 2dat s ARG 34 Cb 0.00 -3.81 -0.06 0.00 -1.56 0.00 0.00 34.95 29.52 2dat s ARG 34 CO 0.00 -0.83 0.19 1.04 -0.81 0.00 0.00 175.30 174.89 2dat n GLN 35 N 6.33 0.09 -0.14 5.12 6.02 -1.26 -4.72 117.38 128.81 2dat n GLN 35 Ca 0.02 0.06 -0.29 0.00 -0.01 0.00 0.00 57.00 56.78 2dat n GLN 35 Cb 0.48 -1.59 -0.10 0.00 1.02 0.00 0.00 30.24 30.05 2dat n GLN 35 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2dat n LEU 36 N 0.51 2.05 0.32 1.08 4.77 -1.26 -4.37 117.00 120.10 2dat n LEU 36 Ca 0.07 0.30 0.19 0.00 -0.03 0.00 0.00 56.01 56.54 2dat n LEU 36 Cb 0.51 -0.83 1.05 0.00 -2.33 0.00 0.00 43.42 41.82 2dat n LEU 36 CO 0.51 0.60 1.14 0.77 -1.33 0.00 0.00 177.39 179.09 2dat h SER 37 N -0.91 0.00 -0.90 -1.43 4.64 -1.84 -2.51 113.55 110.60 2dat h SER 37 Ca -0.68 0.00 0.19 0.00 -0.47 0.00 0.00 61.79 60.82 2dat h SER 37 Cb 1.64 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.62 2dat h SER 37 CO -0.39 0.01 0.46 -0.33 -0.87 0.00 0.00 176.83 175.71 2dat h GLU 38 N 0.00 0.55 -0.00 4.77 5.08 -1.84 0.82 114.58 123.96 2dat h GLU 38 Ca -0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2dat h GLU 38 Cb 0.06 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2dat h GLU 38 CO 0.00 0.36 -0.09 1.33 -1.00 0.00 0.00 179.01 179.62 2dat n VAL 39 N -4.92 0.00 -0.87 3.13 0.24 -0.95 -3.24 118.33 111.73 2dat n VAL 39 Ca 0.21 -0.01 0.08 0.00 -2.04 0.00 0.00 64.34 62.58 2dat n VAL 39 Cb 0.56 -0.33 0.20 0.00 -1.47 0.00 0.00 33.84 32.80 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 -1.35 0.57 0.05 6.34 3.72 0.26 -4.73 117.46 122.33 2dat n PHE 40 Ca 0.10 -0.85 -0.03 0.00 -0.05 0.00 0.00 57.45 56.62 2dat n PHE 40 Cb 0.30 -0.22 -0.01 0.00 -0.94 0.00 0.00 39.48 38.61 2dat n PHE 40 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 2dat h ILE 41 N 1.22 0.00 -2.79 4.37 1.08 -0.74 -3.02 117.51 117.63 2dat h ILE 41 Ca 0.00 -0.44 -0.59 0.00 -0.39 0.00 0.00 64.86 63.45 2dat h ILE 41 Cb 1.19 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.85 2dat h ILE 41 CO 0.12 0.00 -0.60 -1.10 -0.69 0.00 0.00 178.15 175.88 2dat s GLN 42 N -2.14 2.70 0.21 2.37 -0.21 -1.26 -3.89 119.66 117.43 2dat s GLN 42 Ca -0.03 -0.96 0.09 0.00 0.02 0.00 0.00 55.36 54.48 2dat s GLN 42 Cb 0.00 -2.53 -0.04 0.00 1.00 0.00 0.00 33.01 31.44 2dat s GLN 42 CO 0.08 0.48 -0.04 -0.51 -2.12 0.00 0.00 175.29 173.18 2dat s LEU 43 N -3.01 3.14 -0.09 2.90 1.43 -1.26 -5.04 118.68 116.74 2dat s LEU 43 Ca 0.29 -0.55 -0.30 0.00 -1.03 0.00 0.00 54.13 52.55 2dat s LEU 43 Cb -0.10 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 2dat s LEU 43 CO 0.21 0.07 1.53 -2.16 0.23 0.00 0.00 176.35 176.23 2dat s PRO 44 N -3.14 4.19 0.56 1.29 0.04 -1.26 -4.98 135.00 131.70 2dat s PRO 44 Ca 0.28 2.01 -0.21 0.00 0.04 0.00 0.00 61.00 63.11 2dat s PRO 44 Cb -0.08 -3.92 -0.05 0.00 0.04 0.00 0.00 34.50 30.50 2dat s PRO 44 CO 0.18 -0.81 1.31 -1.13 0.04 0.00 0.00 177.00 176.59 2dat n SER 45 N 6.99 2.42 -0.16 6.66 3.41 -1.26 -4.64 113.62 127.04 2dat n SER 45 Ca 0.16 0.95 -0.03 0.00 -0.26 0.00 0.00 58.87 59.69 2dat n SER 45 Cb 0.43 -1.55 0.03 0.00 -0.26 0.00 0.00 64.21 62.87 2dat n SER 45 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2dat h ARG 46 N 1.27 0.00 -0.92 4.33 3.08 -1.94 0.58 114.38 120.78 2dat h ARG 46 Ca -0.50 -0.00 0.26 0.00 0.07 0.00 0.00 59.98 59.81 2dat h ARG 46 Cb 1.31 -0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.21 2dat h ARG 46 CO 0.56 0.00 0.29 -0.22 -1.07 0.00 0.00 179.97 179.53 2dat h LYS 47 N 0.00 0.19 0.13 0.04 3.64 -1.98 0.19 116.57 118.78 2dat h LYS 47 Ca 0.24 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 2dat h LYS 47 Cb 0.36 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2dat h LYS 47 CO -0.51 0.13 -0.06 0.93 -2.27 0.00 0.00 179.45 177.67 2dat h GLU 48 N 0.20 -0.17 -2.78 1.90 4.39 -1.42 -3.43 114.58 113.27 2dat h GLU 48 Ca 0.61 0.01 -0.60 0.00 0.34 0.00 0.00 59.36 59.72 2dat h GLU 48 Cb 1.29 0.04 -0.40 0.00 -0.10 0.00 0.00 28.75 29.58 2dat h GLU 48 CO -0.68 0.10 -0.79 -1.17 -1.16 0.00 0.00 179.01 175.31 2dat s LEU 49 N -8.74 2.27 0.18 1.33 2.96 0.02 -4.97 118.68 111.73 2dat s LEU 49 Ca -0.07 -2.74 -0.07 0.00 -0.22 0.00 0.00 54.13 51.03 2dat s LEU 49 Cb -0.00 -0.83 0.07 0.00 0.50 0.00 0.00 46.19 45.92 2dat s LEU 49 CO 0.26 -0.24 1.52 1.55 -1.32 0.00 0.00 176.35 178.12 2dat h PRO 50 N 6.44 0.76 -0.84 0.98 0.13 -0.86 -3.17 132.00 135.44 2dat h PRO 50 Ca 0.08 -0.41 0.17 0.00 -0.87 0.00 0.00 66.00 64.97 2dat h PRO 50 Cb 0.92 0.02 -0.10 0.00 0.13 0.00 0.00 31.00 31.96 2dat h PRO 50 CO 0.43 1.03 0.39 1.05 -0.23 0.00 0.00 178.00 180.68 2dat h GLU 51 N 0.62 0.50 -1.43 0.86 4.11 -1.93 0.94 114.58 118.25 2dat h GLU 51 Ca 0.05 -0.03 0.42 0.00 0.07 0.00 0.00 59.36 59.87 2dat h GLU 51 Cb 0.97 -0.11 -0.08 0.00 0.50 0.00 0.00 28.75 30.02 2dat h GLU 51 CO 0.09 0.33 0.99 -0.92 0.07 0.00 0.00 179.01 179.57 2dat h TYR 52 N 0.51 0.23 0.00 2.06 3.20 -1.95 1.29 116.97 122.31 2dat h TYR 52 Ca 0.48 0.01 -0.23 0.00 3.14 0.00 0.00 58.73 62.13 2dat h TYR 52 Cb 0.76 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.94 2dat h TYR 52 CO -0.12 -0.05 -1.36 1.88 -1.64 0.00 0.00 178.16 176.87 2dat h TYR 53 N 0.07 0.00 -0.22 -3.82 -1.99 -1.00 -2.55 116.97 107.46 2dat h TYR 53 Ca 0.74 0.00 0.01 0.00 2.00 0.00 0.00 58.73 61.48 2dat h TYR 53 Cb 2.68 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 41.40 2dat h TYR 53 CO -0.00 0.88 0.13 0.93 -0.00 0.00 0.00 178.16 180.10 2dat h GLU 54 N 0.00 0.26 0.07 4.88 4.39 0.19 -3.24 114.58 121.13 2dat h GLU 54 Ca -0.17 -0.02 -0.14 0.00 0.34 0.00 0.00 59.36 59.38 2dat h GLU 54 Cb 1.82 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.41 2dat h GLU 54 CO 0.09 0.17 -0.65 1.37 -1.16 0.00 0.00 179.01 178.82 2dat h LEU 55 N 0.26 0.23 -9.69 1.33 -0.00 -1.55 -3.45 115.31 102.44 2dat h LEU 55 Ca 0.08 -0.91 -0.52 0.00 -0.00 0.00 0.00 57.88 56.53 2dat h LEU 55 Cb -0.01 -0.07 0.04 0.00 -0.00 0.00 0.00 40.66 40.62 2dat h LEU 55 CO -0.04 1.29 0.66 -0.63 -0.00 0.00 0.00 178.44 179.72 2dat s ILE 56 N -2.35 3.16 -0.10 0.15 -1.09 -0.96 -4.97 121.20 115.04 2dat s ILE 56 Ca -0.18 0.96 -0.02 0.00 -2.23 0.00 0.00 60.65 59.18 2dat s ILE 56 Cb 0.01 -3.61 -0.01 0.00 -1.58 0.00 0.00 42.46 37.26 2dat s ILE 56 CO 0.74 0.15 -0.05 0.03 -1.23 0.00 0.00 174.94 174.58 2dat h ARG 57 N 5.26 0.00 -3.04 2.79 2.47 -1.88 -3.43 114.38 116.55 2dat h ARG 57 Ca -0.45 0.00 -0.62 0.00 -1.26 0.00 0.00 59.98 57.65 2dat h ARG 57 Cb 1.21 0.00 -0.41 0.00 -1.65 0.00 0.00 29.97 29.12 2dat h ARG 57 CO 0.77 0.00 -0.65 0.15 0.56 0.00 0.00 179.97 180.80 2dat s LYS 58 N -1.65 2.08 -1.19 0.04 1.02 -1.26 -5.03 119.74 113.74 2dat s LYS 58 Ca -0.04 -2.95 -0.23 0.00 0.02 0.00 0.00 55.97 52.78 2dat s LYS 58 Cb 0.01 -3.05 -0.09 0.00 -0.52 0.00 0.00 37.83 34.18 2dat s LYS 58 CO 0.06 -1.26 1.93 -1.25 -0.92 0.00 0.00 175.35 173.92 2dat s PRO 59 N -0.90 2.49 0.36 -1.68 0.04 -1.26 -4.89 135.00 129.15 2dat s PRO 59 Ca 0.24 -1.17 -0.08 0.00 0.04 0.00 0.00 61.00 60.03 2dat s PRO 59 Cb -0.09 -5.24 -0.06 0.00 0.04 0.00 0.00 34.50 29.15 2dat s PRO 59 CO -0.13 -3.99 0.68 0.54 0.04 0.00 0.00 177.00 174.14 2dat s VAL 60 N 11.04 4.89 0.31 -0.36 0.11 -1.26 -5.06 120.40 130.07 2dat s VAL 60 Ca 0.68 0.37 0.04 0.00 -2.93 0.00 0.00 61.98 60.14 2dat s VAL 60 Cb -0.01 -3.73 -0.06 0.00 -1.53 0.00 0.00 36.38 31.05 2dat s VAL 60 CO 0.13 -0.44 0.05 1.51 -3.33 0.00 0.00 175.10 173.02 2dat s ASP 61 N -3.17 2.29 0.23 3.54 1.47 -1.26 -4.71 116.67 115.06 2dat s ASP 61 Ca 0.48 -1.35 0.22 0.00 1.18 0.00 0.00 52.55 53.08 2dat s ASP 61 Cb -0.10 -0.07 0.93 0.00 -0.34 0.00 0.00 42.92 43.34 2dat s ASP 61 CO 0.31 -0.59 1.67 0.49 0.68 0.00 0.00 175.17 177.73 2dat n PHE 62 N -0.64 0.69 0.14 2.11 3.72 -1.14 -2.03 117.46 120.31 2dat n PHE 62 Ca -0.03 0.28 0.04 0.00 -0.05 0.00 0.00 57.45 57.69 2dat n PHE 62 Cb 0.66 -0.95 0.04 0.00 -0.94 0.00 0.00 39.48 38.29 2dat n PHE 62 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2dat h LYS 63 N 0.00 0.00 0.14 -1.08 1.57 -1.84 -3.15 116.57 112.21 2dat h LYS 63 Ca 0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 2dat h LYS 63 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 2dat h LYS 63 CO 0.00 0.41 -1.87 0.87 -0.57 0.00 0.00 179.45 178.29 2dat h LYS 64 N 0.00 0.30 -0.80 3.15 1.79 -1.75 -3.15 116.57 116.11 2dat h LYS 64 Ca -0.01 -0.51 -0.00 0.00 -2.18 0.00 0.00 60.65 57.94 2dat h LYS 64 Cb 1.34 0.19 -0.04 0.00 -1.58 0.00 0.00 32.23 32.14 2dat h LYS 64 CO 0.05 1.22 0.50 0.82 -1.08 0.00 0.00 179.45 180.96 2dat h ILE 65 N 0.08 1.22 0.13 1.86 2.04 -1.59 -2.39 117.51 118.86 2dat h ILE 65 Ca -0.38 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 2dat h ILE 65 Cb 2.06 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 2dat h ILE 65 CO 0.13 0.22 -0.06 0.11 0.00 0.00 0.00 178.15 178.54 2dat h LYS 66 N 1.09 -0.17 -0.58 2.37 1.57 -1.69 -3.25 116.57 115.91 2dat h LYS 66 Ca 0.29 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.17 2dat h LYS 66 Cb -0.07 0.04 -0.11 0.00 0.08 0.00 0.00 32.23 32.17 2dat h LYS 66 CO -0.06 0.29 -0.42 1.49 -0.57 0.00 0.00 179.45 180.19 2dat h GLU 67 N -0.78 -0.21 -0.79 3.15 4.57 -1.48 -0.25 114.58 118.79 2dat h GLU 67 Ca -0.02 0.01 0.15 0.00 -1.18 0.00 0.00 59.36 58.32 2dat h GLU 67 Cb 0.54 0.05 -0.15 0.00 -0.16 0.00 0.00 28.75 29.03 2dat h GLU 67 CO 0.03 -0.14 -0.26 0.00 -1.18 0.00 0.00 179.01 177.46 2dat h ARG 68 N -0.22 -0.04 -0.89 1.92 2.47 -1.53 0.75 114.38 116.84 2dat h ARG 68 Ca 0.19 0.00 0.16 0.00 -1.26 0.00 0.00 59.98 59.07 2dat h ARG 68 Cb 0.56 0.01 -0.07 0.00 -1.65 0.00 0.00 29.97 28.82 2dat h ARG 68 CO -0.69 -0.02 0.58 0.82 0.56 0.00 0.00 179.97 181.22 2dat h ILE 69 N -0.04 0.79 0.01 2.04 2.04 -1.08 -0.04 117.51 121.23 2dat h ILE 69 Ca 0.35 -0.21 -0.25 0.00 1.00 0.00 0.00 64.86 65.75 2dat h ILE 69 Cb 0.58 0.11 0.01 0.00 -0.74 0.00 0.00 36.82 36.79 2dat h ILE 69 CO -0.82 0.11 -1.00 0.03 0.00 0.00 0.00 178.15 176.47 2dat h ARG 70 N 0.62 0.51 -0.90 2.37 2.47 0.76 -3.14 114.38 117.07 2dat h ARG 70 Ca 0.46 -0.57 -0.05 0.00 -1.26 0.00 0.00 59.98 58.56 2dat h ARG 70 Cb 0.84 0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 29.30 2dat h ARG 70 CO -0.21 1.20 0.06 0.09 0.56 0.00 0.00 179.97 181.67 2dat n ASN 71 N -3.78 2.76 -4.49 7.04 3.02 0.58 -4.86 115.26 115.53 2dat n ASN 71 Ca -0.09 -2.37 -0.40 0.00 -0.03 0.00 0.00 54.58 51.69 2dat n ASN 71 Cb 0.87 -0.58 -0.08 0.00 -0.61 0.00 0.00 39.78 39.37 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 0.13 -1.18 -0.06 3.10 8.25 -0.59 -4.83 115.22 120.04 2dat n HIS 72 Ca 0.12 0.67 -0.03 0.00 -0.26 0.00 0.00 57.72 58.22 2dat n HIS 72 Cb 0.66 -2.08 -0.02 0.00 1.12 0.00 0.00 29.99 29.66 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 -1.09 0.00 -6.86 -0.41 1.79 -1.34 -3.31 116.57 105.35 2dat h LYS 73 Ca -0.61 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.29 2dat h LYS 73 Cb 1.39 0.00 0.15 0.00 -1.58 0.00 0.00 32.23 32.19 2dat h LYS 73 CO 0.85 0.14 0.26 0.66 -1.08 0.00 0.00 179.45 180.28 2dat n TYR 74 N -4.72 1.29 -0.10 -1.35 4.01 -1.26 -4.87 117.16 110.15 2dat n TYR 74 Ca -0.03 0.45 -0.13 0.00 -0.16 0.00 0.00 57.90 58.03 2dat n TYR 74 Cb 0.12 -2.21 -0.12 0.00 -0.31 0.00 0.00 39.34 36.81 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 -0.83 0.77 -3.84 -0.72 5.12 -1.26 -4.97 116.66 110.93 2dat n ARG 75 Ca 0.12 0.08 -0.07 0.00 -1.93 0.00 0.00 57.85 56.04 2dat n ARG 75 Cb 0.45 -1.46 -0.00 0.00 -1.16 0.00 0.00 32.46 30.29 2dat n ARG 75 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2dat s SER 76 N -5.82 -0.15 0.43 0.55 1.04 -1.26 -5.02 113.70 103.46 2dat s SER 76 Ca -0.22 -0.81 0.19 0.00 0.48 0.00 0.00 55.95 55.59 2dat s SER 76 Cb 0.07 0.76 1.12 0.00 0.10 0.00 0.00 66.02 68.07 2dat s SER 76 CO 0.62 -1.46 1.85 -0.07 0.98 0.00 0.00 173.24 175.17 2dat h LEU 77 N 2.00 0.37 -1.95 2.42 -0.00 -1.97 0.16 115.31 116.35 2dat h LEU 77 Ca -0.24 0.04 0.03 0.00 -0.00 0.00 0.00 57.88 57.70 2dat h LEU 77 Cb 1.25 -0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 41.88 2dat h LEU 77 CO 0.30 0.15 0.37 1.23 -0.00 0.00 0.00 178.44 180.49 2dat h GLY 78 N 0.37 0.00 0.62 0.83 0.00 -1.99 0.24 103.07 103.14 2dat h GLY 78 Ca 0.47 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.47 2dat h GLY 78 CO -0.17 0.00 -1.98 1.22 0.00 0.00 0.00 176.54 175.62 2dat n ASP 79 N -3.06 1.14 -0.02 0.19 8.00 0.57 -3.64 116.55 119.73 2dat n ASP 79 Ca 0.00 0.24 -0.16 0.00 0.71 0.00 0.00 54.79 55.58 2dat n ASP 79 Cb 0.45 -0.11 -0.10 0.00 -0.02 0.00 0.00 41.12 41.34 2dat n ASP 79 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2dat h LEU 80 N 0.02 0.49 -0.03 0.64 5.85 -0.75 -2.97 115.31 118.56 2dat h LEU 80 Ca -0.40 -0.69 0.00 0.00 0.84 0.00 0.00 57.88 57.64 2dat h LEU 80 Cb 2.05 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.93 2dat h LEU 80 CO 0.06 1.11 0.02 -0.08 -0.34 0.00 0.00 178.44 179.21 2dat h GLU 81 N -0.08 0.04 -0.37 1.25 4.81 -0.87 0.36 114.58 119.72 2dat h GLU 81 Ca -0.04 -0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.27 2dat h GLU 81 Cb 1.13 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 2dat h GLU 81 CO 0.09 0.03 0.26 1.57 -0.73 0.00 0.00 179.01 180.23 2dat h LYS 82 N 0.04 0.12 0.19 1.92 2.10 -1.65 0.15 116.57 119.44 2dat h LYS 82 Ca 0.01 -0.01 -0.33 0.00 -2.00 0.00 0.00 60.65 58.33 2dat h LYS 82 Cb -0.00 -0.03 0.02 0.00 -0.90 0.00 0.00 32.23 31.32 2dat h LYS 82 CO -0.00 0.08 -1.55 -0.44 -2.00 0.00 0.00 179.45 175.54 2dat h ASP 83 N 0.12 0.62 0.55 7.07 5.19 -1.21 -3.19 116.42 125.57 2dat h ASP 83 Ca 0.17 -0.78 -0.03 0.00 -0.62 0.00 0.00 57.03 55.78 2dat h ASP 83 Cb 0.53 -0.20 0.01 0.00 0.18 0.00 0.00 39.33 39.84 2dat h ASP 83 CO -0.02 1.63 -0.26 0.58 -3.12 0.00 0.00 179.24 178.05 2dat h VAL 84 N 0.11 0.00 -0.58 -1.35 2.07 0.66 -2.12 116.25 115.03 2dat h VAL 84 Ca -0.27 -0.36 0.17 0.00 0.82 0.00 0.00 66.70 67.06 2dat h VAL 84 Cb 2.09 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 2dat h VAL 84 CO 0.21 0.00 0.57 0.24 0.02 0.00 0.00 177.57 178.61 2dat h MET 85 N -1.10 0.00 -0.01 1.57 2.86 -0.92 -0.08 114.93 117.24 2dat h MET 85 Ca -0.08 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 2dat h MET 85 Cb 0.57 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.23 2dat h MET 85 CO 0.12 0.00 -0.12 1.25 1.06 0.00 0.00 176.91 179.22 2dat h LEU 86 N 0.00 0.13 -2.00 1.22 5.85 -1.52 -2.22 115.31 116.77 2dat h LEU 86 Ca 0.28 -0.71 0.12 0.00 0.84 0.00 0.00 57.88 58.41 2dat h LEU 86 Cb 1.41 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.38 2dat h LEU 86 CO -0.00 0.82 0.43 0.25 -0.34 0.00 0.00 178.44 179.60 2dat h LEU 87 N -0.54 0.00 0.11 2.25 6.46 -0.31 0.21 115.31 123.49 2dat h LEU 87 Ca -0.01 0.00 -0.33 0.00 -0.12 0.00 0.00 57.88 57.42 2dat h LEU 87 Cb 0.83 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.75 2dat h LEU 87 CO 0.03 0.00 -1.71 0.00 -0.62 0.00 0.00 178.44 176.14 2dat h HIS 89 N 0.07 -0.17 -0.89 0.00 -0.00 -0.27 -2.89 115.15 110.99 2dat h HIS 89 Ca -0.31 -0.00 0.23 0.00 -0.00 0.00 0.00 60.37 60.28 2dat h HIS 89 Cb 2.03 0.06 -0.05 0.00 -0.00 0.00 0.00 27.41 29.45 2dat h HIS 89 CO 0.06 0.24 0.61 -0.91 -0.00 0.00 0.00 177.93 177.94 2dat h ASN 90 N -0.66 0.24 -0.10 3.26 2.35 -0.89 0.23 115.58 120.00 2dat h ASN 90 Ca -0.02 0.03 -0.14 0.00 -0.55 0.00 0.00 56.30 55.61 2dat h ASN 90 Cb 0.50 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 2dat h ASN 90 CO 0.03 0.09 -0.43 0.00 -1.65 0.00 0.00 177.43 175.47 2dat h ALA 91 N 1.60 0.76 0.00 -0.83 0.00 -1.61 -2.80 119.26 116.37 2dat h ALA 91 Ca 0.45 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2dat h ALA 91 Cb 1.39 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 2dat h ALA 91 CO -0.11 0.66 -0.05 1.96 0.00 0.00 0.00 179.25 181.71 2dat h GLN 92 N 0.52 0.00 -0.04 0.00 4.20 -0.36 0.65 115.11 120.08 2dat h GLN 92 Ca 0.04 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.57 2dat h GLN 92 Cb 0.96 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.73 2dat h GLN 92 CO 0.09 0.05 -0.76 1.15 -0.67 0.00 0.00 178.83 178.69 2dat h THR 93 N 0.00 1.43 0.00 -0.54 2.02 -1.11 -3.38 112.91 111.32 2dat h THR 93 Ca -0.00 -2.28 -0.06 0.00 0.77 0.00 0.00 66.41 64.84 2dat h THR 93 Cb 0.59 2.22 -0.01 0.00 -1.74 0.00 0.00 68.15 69.22 2dat h THR 93 CO 0.01 0.67 -0.95 0.33 0.37 0.00 0.00 175.52 175.95 2dat n PHE 94 N -3.78 0.48 -0.59 3.16 7.35 -1.09 -4.99 117.46 118.01 2dat n PHE 94 Ca -0.04 0.21 -0.29 0.00 -0.76 0.00 0.00 57.45 56.58 2dat n PHE 94 Cb 0.72 -0.71 0.18 0.00 0.35 0.00 0.00 39.48 40.03 2dat n PHE 94 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2dat n ASN 95 N -4.51 -2.63 -4.87 -2.13 3.02 0.20 -5.01 115.26 99.33 2dat n ASN 95 Ca -0.16 -0.26 -0.22 0.00 -0.03 0.00 0.00 54.58 53.91 2dat n ASN 95 Cb 0.46 -0.93 0.07 0.00 -0.61 0.00 0.00 39.78 38.76 2dat n ASN 95 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2dat s LEU 96 N -1.91 3.16 0.56 3.41 1.02 -1.26 -4.84 118.68 118.82 2dat s LEU 96 Ca 0.53 -0.30 -0.06 0.00 0.02 0.00 0.00 54.13 54.33 2dat s LEU 96 Cb -0.11 -2.33 -0.00 0.00 0.02 0.00 0.00 46.19 43.76 2dat s LEU 96 CO 0.58 -1.43 0.88 -1.61 0.02 0.00 0.00 176.35 174.79 2dat s GLU 97 N -4.87 3.10 0.00 1.70 8.01 -1.26 -4.04 118.70 121.35 2dat s GLU 97 Ca 0.61 0.07 0.00 0.00 0.01 0.00 0.00 54.97 55.66 2dat s GLU 97 Cb -0.08 -2.29 0.00 0.00 -4.31 0.00 0.00 34.13 27.45 2dat s GLU 97 CO 0.40 -0.57 0.00 0.41 0.01 0.00 0.00 175.26 175.51 2dat n GLY 98 N -2.51 -0.38 3.98 -1.39 0.00 -1.26 -4.85 105.19 98.79 2dat n GLY 98 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.56 4.73 0.06 1.61 0.15 -1.26 -4.94 113.70 112.49 2dat s SER 99 Ca 0.00 -0.21 -0.29 0.00 0.70 0.00 0.00 55.95 56.15 2dat s SER 99 Cb 0.00 -0.37 -0.17 0.00 -1.71 0.00 0.00 66.02 63.77 2dat s SER 99 CO 0.00 -1.57 1.59 -0.61 1.20 0.00 0.00 173.24 173.85 2dat h GLN 100 N -0.29 -0.54 -0.17 5.44 5.75 -1.92 -2.70 115.11 120.68 2dat h GLN 100 Ca -0.39 0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.11 2dat h GLN 100 Cb 1.28 0.12 -0.00 0.00 1.07 0.00 0.00 27.48 29.95 2dat h GLN 100 CO 0.46 -0.32 -0.07 0.82 -2.65 0.00 0.00 178.83 177.06 2dat h ILE 101 N -0.62 1.31 -0.86 2.39 2.04 -1.95 -3.24 117.51 116.57 2dat h ILE 101 Ca -0.06 -1.10 0.12 0.00 1.00 0.00 0.00 64.86 64.82 2dat h ILE 101 Cb 0.46 1.68 -0.14 0.00 -0.74 0.00 0.00 36.82 38.09 2dat h ILE 101 CO 0.09 0.33 -0.43 0.22 0.00 0.00 0.00 178.15 178.36 2dat h TYR 102 N 0.03 -1.26 -0.98 1.37 3.20 -1.77 0.70 116.97 118.27 2dat h TYR 102 Ca 0.04 0.10 0.18 0.00 3.14 0.00 0.00 58.73 62.19 2dat h TYR 102 Cb 0.54 0.67 -0.09 0.00 1.54 0.00 0.00 36.73 39.39 2dat h TYR 102 CO 0.06 -0.40 0.61 0.93 -1.64 0.00 0.00 178.16 177.72 2dat h GLU 103 N -0.07 0.69 0.53 1.82 5.08 -1.51 -2.21 114.58 118.91 2dat h GLU 103 Ca 0.26 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 2dat h GLU 103 Cb 0.55 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2dat h GLU 103 CO -0.88 0.46 -0.51 -0.44 -1.00 0.00 0.00 179.01 176.64 2dat h ASP 104 N 0.71 -1.39 -0.93 1.42 3.32 0.38 -1.30 116.42 118.63 2dat h ASP 104 Ca 0.54 0.11 0.27 0.00 0.02 0.00 0.00 57.03 57.97 2dat h ASP 104 Cb 0.91 0.46 -0.15 0.00 0.22 0.00 0.00 39.33 40.77 2dat h ASP 104 CO -0.31 -0.68 0.35 0.77 -1.72 0.00 0.00 179.24 177.64 2dat h SER 105 N -1.03 0.17 0.01 6.45 4.64 -1.00 0.18 113.55 122.96 2dat h SER 105 Ca -0.07 0.20 -0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2dat h SER 105 Cb 0.89 0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2dat h SER 105 CO -0.05 -0.16 -0.01 0.40 -0.87 0.00 0.00 176.83 176.15 2dat h ILE 106 N 0.24 1.08 0.13 0.95 5.03 -1.24 -3.15 117.51 120.55 2dat h ILE 106 Ca 0.62 -0.28 -0.00 0.00 -0.12 0.00 0.00 64.86 65.08 2dat h ILE 106 Cb 1.32 1.26 -0.01 0.00 -3.03 0.00 0.00 36.82 36.36 2dat h ILE 106 CO -0.65 0.07 -0.10 0.58 -0.68 0.00 0.00 178.15 177.37 2dat h VAL 107 N -0.14 0.78 -0.79 1.67 2.07 0.36 -3.05 116.25 117.15 2dat h VAL 107 Ca -0.00 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 2dat h VAL 107 Cb 0.13 0.78 -0.11 0.00 -1.52 0.00 0.00 31.29 30.58 2dat h VAL 107 CO 0.00 0.00 -0.41 0.18 0.02 0.00 0.00 177.57 177.36 2dat n LEU 108 N -5.21 -0.73 -0.15 2.57 4.77 0.25 -0.21 117.00 118.29 2dat n LEU 108 Ca -0.08 1.40 -0.13 0.00 -0.03 0.00 0.00 56.01 57.17 2dat n LEU 108 Cb 0.14 -0.23 -0.09 0.00 -2.33 0.00 0.00 43.42 40.91 2dat n LEU 108 CO 0.32 -1.18 0.51 1.56 -1.33 0.00 0.00 177.39 177.27 2dat h GLN 109 N 0.00 -0.36 -0.80 3.23 4.20 -1.51 0.61 115.11 120.47 2dat h GLN 109 Ca 0.18 0.02 0.23 0.00 0.06 0.00 0.00 58.65 59.14 2dat h GLN 109 Cb 0.38 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 2dat h GLN 109 CO -0.76 -0.24 0.70 1.03 -0.67 0.00 0.00 178.83 178.89 2dat h SER 110 N -0.37 0.00 0.65 1.46 0.87 -0.63 0.53 113.55 116.06 2dat h SER 110 Ca 0.09 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.38 2dat h SER 110 Cb 0.59 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 2dat h SER 110 CO -0.61 0.00 -1.24 0.58 -0.53 0.00 0.00 176.83 175.03 2dat h VAL 111 N 0.00 1.50 0.05 2.23 2.07 0.98 -3.07 116.25 120.01 2dat h VAL 111 Ca 0.38 -3.08 -0.00 0.00 0.82 0.00 0.00 66.70 64.82 2dat h VAL 111 Cb 1.78 2.94 0.00 0.00 -1.52 0.00 0.00 31.29 34.49 2dat h VAL 111 CO -0.00 0.90 -0.02 0.15 0.02 0.00 0.00 177.57 178.61 2dat h PHE 112 N 0.07 -0.06 0.77 1.57 3.04 0.20 -1.93 116.94 120.59 2dat h PHE 112 Ca -0.13 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.78 2dat h PHE 112 Cb 1.96 0.02 -0.00 0.00 2.56 0.00 0.00 35.95 40.49 2dat h PHE 112 CO 0.06 0.16 -0.44 0.87 -2.02 0.00 0.00 178.31 176.94 2dat h LYS 113 N -0.27 -1.09 -0.92 1.11 6.56 -1.52 -2.70 116.57 117.74 2dat h LYS 113 Ca -0.01 0.07 0.23 0.00 -1.06 0.00 0.00 60.65 59.88 2dat h LYS 113 Cb 0.25 0.25 -0.12 0.00 -0.57 0.00 0.00 32.23 32.03 2dat h LYS 113 CO 0.01 -0.72 0.44 1.03 -2.06 0.00 0.00 179.45 178.15 2dat h SER 114 N -1.13 0.41 -0.03 0.86 0.87 -1.59 -1.65 113.55 111.30 2dat h SER 114 Ca -0.10 0.15 0.02 0.00 -1.23 0.00 0.00 61.79 60.63 2dat h SER 114 Cb 0.90 0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 62.91 2dat h SER 114 CO 0.12 0.02 -0.53 0.00 -0.53 0.00 0.00 176.83 175.91 2dat h ALA 115 N 1.71 -0.92 -0.79 6.23 0.00 -1.02 0.59 119.26 125.06 2dat h ALA 115 Ca 0.58 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.51 2dat h ALA 115 Cb 1.10 0.96 -0.11 0.00 0.00 0.00 0.00 17.79 19.73 2dat h ALA 115 CO -0.52 -1.10 -0.39 0.54 0.00 0.00 0.00 179.25 177.79 2dat n ARG 116 N -5.46 -0.27 0.02 0.00 1.74 -0.62 -2.51 116.66 109.56 2dat n ARG 116 Ca -0.07 1.21 -0.01 0.00 -0.77 0.00 0.00 57.85 58.21 2dat n ARG 116 Cb 0.39 -1.78 -0.00 0.00 -1.02 0.00 0.00 32.46 30.05 2dat n ARG 116 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2dat h GLN 117 N 0.00 -0.05 -4.57 5.56 1.08 -1.47 -3.43 115.11 112.23 2dat h GLN 117 Ca 0.20 0.00 -0.71 0.00 -1.45 0.00 0.00 58.65 56.70 2dat h GLN 117 Cb 0.40 0.01 -0.21 0.00 -0.05 0.00 0.00 27.48 27.63 2dat h GLN 117 CO -0.76 -0.04 -0.45 -1.12 -0.95 0.00 0.00 178.83 175.51 2dat s SER 118 N -3.06 6.07 0.00 1.46 0.01 0.20 -5.00 113.70 113.38 2dat s SER 118 Ca -0.01 -0.76 0.00 0.00 1.31 0.00 0.00 55.95 56.49 2dat s SER 118 Cb 0.00 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 64.09 2dat s SER 118 CO 0.02 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 173.90 2dat n GLY 119 N 5.13 0.01 3.77 3.44 0.00 -1.15 -3.45 105.19 112.94 2dat n GLY 119 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 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 0.91 4.28 0.04 1.61 0.04 -1.26 -5.00 135.00 135.62 2dat s PRO 120 Ca 0.00 1.98 -0.01 0.00 0.04 0.00 0.00 61.00 63.01 2dat s PRO 120 Cb 0.00 -2.93 -0.04 0.00 0.04 0.00 0.00 34.50 31.58 2dat s PRO 120 CO 0.00 -0.17 -0.03 -1.12 0.04 0.00 0.00 177.00 175.72 2dat s SER 121 N -0.83 0.44 -0.09 6.66 0.01 -1.26 -5.15 113.70 113.48 2dat s SER 121 Ca 0.52 -0.90 -0.01 0.00 1.31 0.00 0.00 55.95 56.86 2dat s SER 121 Cb -0.35 0.18 0.03 0.00 0.21 0.00 0.00 66.02 66.10 2dat s SER 121 CO 0.45 -0.54 -0.00 -0.55 0.41 0.00 0.00 173.24 173.00 2dat s SER 122 N -2.64 1.80 0.00 2.44 0.15 -1.26 -5.31 113.70 108.87 2dat s SER 122 Ca 0.03 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.48 2dat s SER 122 Cb 0.05 -0.49 0.00 0.00 -1.71 0.00 0.00 66.02 63.87 2dat s SER 122 CO -0.08 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.77