#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 6.52 0.04 1.61 1.04 -1.26 -5.09 113.70 116.57 2dat s SER 2 Ca 0.00 0.61 -0.04 0.00 0.48 0.00 0.00 55.95 57.00 2dat s SER 2 Cb 0.00 -2.17 -0.02 0.00 0.10 0.00 0.00 66.02 63.93 2dat s SER 2 CO 0.00 0.23 0.06 -0.44 0.98 0.00 0.00 173.24 174.07 2dat s SER 3 N -0.26 0.25 0.00 7.02 0.01 -1.26 -5.11 113.70 114.35 2dat s SER 3 Ca 0.18 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 56.79 2dat s SER 3 Cb -0.14 0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.31 2dat s SER 3 CO 0.06 -0.53 0.00 0.61 0.41 0.00 0.00 173.24 173.80 2dat n GLY 4 N 0.63 0.34 3.57 3.44 0.00 -1.26 -5.10 105.19 106.81 2dat n GLY 4 Ca -0.18 -1.03 -0.45 0.00 0.00 0.00 0.00 46.02 44.36 2dat n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dat n SER 5 N 0.00 1.09 -3.76 1.61 3.41 -1.26 -4.99 113.62 109.73 2dat n SER 5 Ca 0.00 1.17 -0.15 0.00 -0.26 0.00 0.00 58.87 59.63 2dat n SER 5 Cb 0.00 -1.26 -0.16 0.00 -0.26 0.00 0.00 64.21 62.53 2dat n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dat s SER 6 N -0.58 0.15 0.00 4.04 0.15 -1.26 -5.11 113.70 111.08 2dat s SER 6 Ca 0.59 0.09 0.00 0.00 0.70 0.00 0.00 55.95 57.34 2dat s SER 6 Cb -0.72 -0.03 0.00 0.00 -1.71 0.00 0.00 66.02 63.56 2dat s SER 6 CO 0.59 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.50 2dat n GLY 7 N 4.31 2.36 3.50 9.45 0.00 -1.26 -5.06 105.19 118.50 2dat n GLY 7 Ca -0.25 -1.91 -0.32 0.00 0.00 0.00 0.00 46.02 43.55 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 0.00 4.11 1.09 1.61 0.01 -1.26 -5.13 113.70 114.14 2dat s SER 8 Ca 0.00 -0.28 -0.15 0.00 1.31 0.00 0.00 55.95 56.83 2dat s SER 8 Cb 0.00 -0.82 0.23 0.00 0.21 0.00 0.00 66.02 65.65 2dat s SER 8 CO 0.00 0.29 1.10 -2.16 0.41 0.00 0.00 173.24 172.88 2dat s PRO 9 N -1.24 -0.34 0.11 12.44 0.04 -1.26 -5.05 135.00 139.70 2dat s PRO 9 Ca 0.15 0.25 -0.04 0.00 0.04 0.00 0.00 61.00 61.40 2dat s PRO 9 Cb -0.11 -1.67 -0.05 0.00 0.04 0.00 0.00 34.50 32.71 2dat s PRO 9 CO 0.05 -3.19 0.33 -0.80 0.04 0.00 0.00 177.00 173.42 2dat s ASN 10 N -3.64 6.47 0.98 6.66 0.01 -1.26 -5.10 114.94 119.07 2dat s ASN 10 Ca 0.68 0.52 -0.12 0.00 -0.71 0.00 0.00 52.86 53.22 2dat s ASN 10 Cb -0.15 -2.06 0.18 0.00 0.41 0.00 0.00 41.25 39.63 2dat s ASN 10 CO 0.57 0.11 1.09 -2.16 -1.51 0.00 0.00 177.10 175.20 2dat s PRO 11 N -2.49 0.54 0.16 -0.60 0.04 -1.26 -4.71 135.00 126.68 2dat s PRO 11 Ca 0.38 0.56 0.20 0.00 0.04 0.00 0.00 61.00 62.18 2dat s PRO 11 Cb -0.13 -1.75 0.84 0.00 0.04 0.00 0.00 34.50 33.51 2dat s PRO 11 CO 0.24 -2.67 1.61 -0.35 0.04 0.00 0.00 177.00 175.88 2dat n PRO 12 N -4.14 0.12 0.08 0.56 -0.04 -1.26 -1.63 135.00 128.70 2dat n PRO 12 Ca 0.05 0.37 0.11 0.00 -0.04 0.00 0.00 63.50 63.99 2dat n PRO 12 Cb 0.57 -1.74 -0.03 0.00 -0.04 0.00 0.00 33.50 32.26 2dat n PRO 12 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2dat n LYS 13 N -1.97 0.62 -0.07 0.54 4.81 -1.26 -3.91 118.16 116.91 2dat n LYS 13 Ca 0.03 0.06 -0.06 0.00 -0.87 0.00 0.00 58.31 57.47 2dat n LYS 13 Cb 0.20 -1.77 -0.02 0.00 0.02 0.00 0.00 35.03 33.46 2dat n LYS 13 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2dat n LEU 14 N -2.60 1.60 -0.36 3.14 -0.00 -0.93 -3.75 117.00 114.09 2dat n LEU 14 Ca -0.01 0.40 0.28 0.00 -0.00 0.00 0.00 56.01 56.68 2dat n LEU 14 Cb 0.56 -0.75 0.54 0.00 -0.00 0.00 0.00 43.42 43.77 2dat n LEU 14 CO 0.41 -0.38 1.15 0.74 -0.00 0.00 0.00 177.39 179.32 2dat h THR 15 N -0.85 0.24 0.10 1.96 2.02 -1.54 0.16 112.91 115.00 2dat h THR 15 Ca 0.00 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 2dat h THR 15 Cb 0.68 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 2dat h THR 15 CO 0.00 0.04 -0.05 0.50 0.37 0.00 0.00 175.52 176.39 2dat h LYS 16 N 0.23 -0.12 -0.72 6.66 3.11 -1.78 -3.04 116.57 120.91 2dat h LYS 16 Ca 0.76 0.01 0.11 0.00 -2.81 0.00 0.00 60.65 58.72 2dat h LYS 16 Cb 1.96 0.03 -0.12 0.00 -1.00 0.00 0.00 32.23 33.10 2dat h LYS 16 CO -0.54 0.25 -0.28 0.94 -2.81 0.00 0.00 179.45 177.00 2dat n GLN 17 N -4.97 -0.17 0.20 1.90 7.27 0.55 0.36 117.38 122.53 2dat n GLN 17 Ca -0.09 1.12 -0.15 0.00 0.07 0.00 0.00 57.00 57.95 2dat n GLN 17 Cb 0.22 -1.66 -0.08 0.00 2.41 0.00 0.00 30.24 31.14 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 -0.45 -0.66 3.69 2.86 -1.57 -2.65 114.93 116.16 2dat h MET 18 Ca 0.25 0.03 0.14 0.00 -2.06 0.00 0.00 59.70 58.06 2dat h MET 18 Cb 0.44 0.10 -0.12 0.00 0.06 0.00 0.00 31.60 32.08 2dat h MET 18 CO -0.72 -0.24 -0.10 -0.91 1.06 0.00 0.00 176.91 176.00 2dat h ASN 19 N -0.56 -0.48 0.32 1.22 2.35 0.03 0.72 115.58 119.19 2dat h ASN 19 Ca -0.05 0.18 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2dat h ASN 19 Cb 0.41 0.36 -0.03 0.00 0.05 0.00 0.00 38.32 39.11 2dat h ASN 19 CO 0.08 -0.19 -0.49 0.00 -1.65 0.00 0.00 177.43 175.18 2dat h ALA 20 N 1.64 -1.02 0.39 -0.83 0.00 -0.59 0.77 119.26 119.62 2dat h ALA 20 Ca 0.33 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2dat h ALA 20 Cb 0.53 0.76 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 2dat h ALA 20 CO -0.63 -1.12 -0.51 0.82 0.00 0.00 0.00 179.25 177.81 2dat h ILE 21 N -0.87 0.00 0.16 0.00 2.04 -0.99 -0.48 117.51 117.37 2dat h ILE 21 Ca -0.03 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 2dat h ILE 21 Cb 0.80 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 2dat h ILE 21 CO -0.16 0.00 -0.13 0.40 0.00 0.00 0.00 178.15 178.27 2dat h ILE 22 N -0.92 0.00 -1.03 -0.67 1.08 -0.81 -1.88 117.51 113.28 2dat h ILE 22 Ca -0.05 0.00 0.41 0.00 -0.39 0.00 0.00 64.86 64.83 2dat h ILE 22 Cb 0.83 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 34.42 2dat h ILE 22 CO -0.13 0.00 0.59 -0.67 -0.69 0.00 0.00 178.15 177.25 2dat n ASP 23 N -3.03 0.29 0.07 1.72 2.03 0.27 0.79 116.55 118.68 2dat n ASP 23 Ca -0.03 1.49 -0.13 0.00 0.52 0.00 0.00 54.79 56.63 2dat n ASP 23 Cb 0.12 -0.73 -0.08 0.00 -0.72 0.00 0.00 41.12 39.71 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 1.01 0.59 5.18 2.02 -0.60 -2.91 112.91 118.21 2dat h THR 24 Ca 0.80 -0.45 -0.03 0.00 0.77 0.00 0.00 66.41 67.50 2dat h THR 24 Cb 2.25 1.30 0.01 0.00 -1.74 0.00 0.00 68.15 69.97 2dat h THR 24 CO -0.65 0.11 -0.28 0.58 0.37 0.00 0.00 175.52 175.65 2dat h VAL 25 N -0.35 0.22 -1.00 3.16 2.07 0.12 0.28 116.25 120.74 2dat h VAL 25 Ca -0.01 -0.37 0.29 0.00 0.82 0.00 0.00 66.70 67.43 2dat h VAL 25 Cb 0.29 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 2dat h VAL 25 CO 0.02 0.03 1.13 0.40 0.02 0.00 0.00 177.57 179.17 2dat h ILE 26 N -1.09 0.05 0.00 4.57 2.04 -0.86 1.12 117.51 123.34 2dat h ILE 26 Ca -0.08 0.00 -0.37 0.00 1.00 0.00 0.00 64.86 65.41 2dat h ILE 26 Cb 0.66 0.09 -0.07 0.00 -0.74 0.00 0.00 36.82 36.76 2dat h ILE 26 CO 0.13 0.00 -2.40 -0.46 0.00 0.00 0.00 178.15 175.43 2dat n ASN 27 N -3.34 0.52 -4.40 1.72 0.23 -1.09 -4.62 115.26 104.27 2dat n ASN 27 Ca 0.22 -0.03 -0.55 0.00 -0.53 0.00 0.00 54.58 53.70 2dat n ASN 27 Cb 1.44 0.62 -0.06 0.00 -2.08 0.00 0.00 39.78 39.69 2dat n ASN 27 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2dat n TYR 28 N -2.89 0.31 -4.88 -2.53 4.19 0.39 -4.63 117.16 107.12 2dat n TYR 28 Ca -0.36 1.02 -0.29 0.00 3.31 0.00 0.00 57.90 61.58 2dat n TYR 28 Cb 1.12 -2.02 -0.15 0.00 0.49 0.00 0.00 39.34 38.78 2dat n TYR 28 CO 0.00 0.00 0.00 -1.59 0.91 0.00 0.00 176.86 176.18 2dat s LYS 29 N -0.29 1.72 0.79 2.98 0.00 -1.26 -3.83 119.74 119.85 2dat s LYS 29 Ca 0.82 -1.05 -0.11 0.00 0.00 0.00 0.00 55.97 55.63 2dat s LYS 29 Cb -1.15 -1.86 0.07 0.00 0.00 0.00 0.00 37.83 34.88 2dat s LYS 29 CO 0.56 0.48 1.11 0.34 0.00 0.00 0.00 175.35 177.84 2dat s ASP 30 N -1.15 4.21 0.45 0.03 2.15 0.26 -4.76 116.67 117.86 2dat s ASP 30 Ca 0.11 1.96 0.34 0.00 0.43 0.00 0.00 52.55 55.38 2dat s ASP 30 Cb -0.10 -2.54 1.51 0.00 -0.30 0.00 0.00 42.92 41.50 2dat s ASP 30 CO 0.02 -2.23 1.56 -1.20 -0.17 0.00 0.00 175.17 173.14 2dat n SER 31 N -3.49 0.19 -0.17 -0.34 7.64 -1.26 0.12 113.62 116.31 2dat n SER 31 Ca 0.10 1.36 -0.03 0.00 1.01 0.00 0.00 58.87 61.31 2dat n SER 31 Cb 0.52 -0.67 0.07 0.00 -1.01 0.00 0.00 64.21 63.12 2dat n SER 31 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2dat h SER 32 N 0.00 0.32 0.00 6.43 4.64 -2.05 -3.46 113.55 119.42 2dat h SER 32 Ca 0.89 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 62.25 2dat h SER 32 Cb 2.92 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 65.00 2dat h SER 32 CO -0.43 0.21 0.00 0.61 -0.87 0.00 0.00 176.83 176.35 2dat n GLY 33 N -1.26 1.58 3.00 -0.77 0.00 0.33 -5.15 105.19 102.93 2dat n GLY 33 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 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 0.42 -0.70 1.61 3.52 -1.24 -4.91 118.95 117.65 2dat s ARG 34 Ca 0.00 -0.46 -0.26 0.00 -0.13 0.00 0.00 55.73 54.88 2dat s ARG 34 Cb 0.00 -0.27 0.04 0.00 -1.56 0.00 0.00 34.95 33.16 2dat s ARG 34 CO 0.00 0.06 1.17 1.14 -0.81 0.00 0.00 175.30 176.86 2dat s GLN 35 N -0.88 3.20 0.44 5.12 -2.07 -1.26 -0.58 119.66 123.63 2dat s GLN 35 Ca -0.05 -0.37 0.21 0.00 -1.82 0.00 0.00 55.36 53.32 2dat s GLN 35 Cb -0.06 -4.18 1.18 0.00 -1.09 0.00 0.00 33.01 28.86 2dat s GLN 35 CO 0.00 -1.99 1.83 -0.07 -1.32 0.00 0.00 175.29 173.74 2dat h LEU 36 N 12.38 0.33 -1.13 2.60 4.07 -1.91 -0.00 115.31 131.65 2dat h LEU 36 Ca -0.28 0.04 0.23 0.00 0.08 0.00 0.00 57.88 57.95 2dat h LEU 36 Cb 1.06 -0.01 -0.03 0.00 1.08 0.00 0.00 40.66 42.75 2dat h LEU 36 CO 1.24 0.11 1.03 0.77 -1.08 0.00 0.00 178.44 180.51 2dat h SER 37 N 0.32 0.00 -0.40 -0.43 4.64 -1.82 -1.75 113.55 114.11 2dat h SER 37 Ca 0.50 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.86 2dat h SER 37 Cb 1.41 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.44 2dat h SER 37 CO -0.17 0.00 -0.35 -0.33 -0.87 0.00 0.00 176.83 175.11 2dat h GLU 38 N 0.00 -0.14 0.00 4.77 5.08 -1.30 1.08 114.58 124.07 2dat h GLU 38 Ca 0.37 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 2dat h GLU 38 Cb 2.44 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.72 2dat h GLU 38 CO -0.00 -0.09 0.00 1.33 -1.00 0.00 0.00 179.01 179.25 2dat n VAL 39 N -4.35 1.08 -1.00 3.13 0.24 -0.66 -1.50 118.33 115.27 2dat n VAL 39 Ca -0.01 0.27 0.09 0.00 -2.04 0.00 0.00 64.34 62.65 2dat n VAL 39 Cb 0.19 -1.10 0.26 0.00 -1.47 0.00 0.00 33.84 31.72 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 -1.41 0.95 -0.06 6.34 3.72 0.33 -4.65 117.46 122.68 2dat n PHE 40 Ca 0.03 -0.88 -0.05 0.00 -0.05 0.00 0.00 57.45 56.50 2dat n PHE 40 Cb 0.10 -0.32 -0.03 0.00 -0.94 0.00 0.00 39.48 38.29 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 1.80 0.34 -3.42 4.37 1.08 0.76 -3.05 117.51 119.40 2dat h ILE 41 Ca 0.00 -1.30 -0.35 0.00 -0.39 0.00 0.00 64.86 62.83 2dat h ILE 41 Cb 1.45 0.69 -0.14 0.00 -3.07 0.00 0.00 36.82 35.74 2dat h ILE 41 CO 0.23 0.12 -0.68 0.00 -0.69 0.00 0.00 178.15 177.13 2dat s GLN 42 N -1.90 1.21 0.25 2.37 -2.07 -1.26 -3.11 119.66 115.15 2dat s GLN 42 Ca -0.09 -1.58 0.09 0.00 -1.82 0.00 0.00 55.36 51.95 2dat s GLN 42 Cb 0.01 -0.55 -0.04 0.00 -1.09 0.00 0.00 33.01 31.33 2dat s GLN 42 CO 0.21 -0.05 0.06 -0.51 -1.32 0.00 0.00 175.29 173.68 2dat s LEU 43 N -3.24 3.41 0.00 2.60 1.43 -1.26 -5.00 118.68 116.62 2dat s LEU 43 Ca 0.24 -0.49 -0.30 0.00 -1.03 0.00 0.00 54.13 52.55 2dat s LEU 43 Cb 0.05 -1.95 -0.06 0.00 0.03 0.00 0.00 46.19 44.26 2dat s LEU 43 CO 0.05 -0.00 1.45 -2.16 0.23 0.00 0.00 176.35 175.92 2dat s PRO 44 N -3.67 4.26 -0.17 1.29 0.04 -1.26 -4.91 135.00 130.59 2dat s PRO 44 Ca 0.32 2.02 -0.41 0.00 0.04 0.00 0.00 61.00 62.96 2dat s PRO 44 Cb -0.07 -3.61 -0.19 0.00 0.04 0.00 0.00 34.50 30.67 2dat s PRO 44 CO 0.21 -0.62 1.37 0.45 0.04 0.00 0.00 177.00 178.46 2dat n SER 45 N 5.56 1.01 -0.25 6.66 2.88 -1.26 -4.45 113.62 123.77 2dat n SER 45 Ca 0.14 1.15 0.21 0.00 -1.33 0.00 0.00 58.87 59.03 2dat n SER 45 Cb 0.43 -0.99 0.38 0.00 -0.75 0.00 0.00 64.21 63.28 2dat n SER 45 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2dat n ARG 46 N 2.98 -0.05 0.09 -1.46 0.63 -1.26 0.13 116.66 117.72 2dat n ARG 46 Ca 0.24 1.10 -0.12 0.00 -0.92 0.00 0.00 57.85 58.14 2dat n ARG 46 Cb 0.07 -1.90 -0.06 0.00 0.45 0.00 0.00 32.46 31.03 2dat n ARG 46 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 2dat h LYS 47 N 0.00 -0.29 0.15 -0.14 3.64 -1.97 0.87 116.57 118.83 2dat h LYS 47 Ca 0.60 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 60.00 2dat h LYS 47 Cb 1.50 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.38 2dat h LYS 47 CO -0.64 -0.20 -0.10 0.93 -2.27 0.00 0.00 179.45 177.18 2dat h GLU 48 N -0.31 -0.24 -2.60 1.90 4.39 0.80 -3.36 114.58 115.16 2dat h GLU 48 Ca 0.03 0.02 -0.60 0.00 0.34 0.00 0.00 59.36 59.14 2dat h GLU 48 Cb 0.33 0.05 -0.39 0.00 -0.10 0.00 0.00 28.75 28.64 2dat h GLU 48 CO -0.09 -0.16 -0.84 -0.11 -1.16 0.00 0.00 179.01 176.65 2dat n LEU 49 N -5.21 0.78 0.01 1.33 7.94 -0.65 -4.95 117.00 116.24 2dat n LEU 49 Ca -0.08 -4.68 -0.07 0.00 -1.11 0.00 0.00 56.01 50.07 2dat n LEU 49 Cb 0.14 0.09 0.11 0.00 0.53 0.00 0.00 43.42 44.29 2dat n LEU 49 CO 0.33 1.83 0.58 1.55 -1.11 0.00 0.00 177.39 180.57 2dat h PRO 50 N 5.49 0.51 -0.86 1.96 0.13 0.61 -3.14 132.00 136.70 2dat h PRO 50 Ca 0.22 -0.27 0.10 0.00 -0.87 0.00 0.00 66.00 65.19 2dat h PRO 50 Cb 0.85 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 31.92 2dat h PRO 50 CO 0.50 0.85 0.50 1.05 -0.23 0.00 0.00 178.00 180.66 2dat h GLU 51 N 0.41 0.79 -0.47 0.86 4.11 -1.93 0.58 114.58 118.94 2dat h GLU 51 Ca 0.03 -0.05 0.14 0.00 0.07 0.00 0.00 59.36 59.55 2dat h GLU 51 Cb 0.93 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 2dat h GLU 51 CO 0.08 0.52 0.41 -0.92 0.07 0.00 0.00 179.01 179.18 2dat h TYR 52 N 0.81 0.00 0.00 2.06 5.03 -1.93 0.57 116.97 123.51 2dat h TYR 52 Ca 0.42 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.73 2dat h TYR 52 Cb 0.41 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.69 2dat h TYR 52 CO -0.05 0.00 -0.65 1.88 -1.32 0.00 0.00 178.16 178.02 2dat h TYR 53 N 0.00 0.00 0.36 -3.82 -1.99 -1.03 -2.91 116.97 107.57 2dat h TYR 53 Ca 0.22 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.93 2dat h TYR 53 Cb 1.05 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.78 2dat h TYR 53 CO 0.00 0.00 -0.17 0.93 -0.00 0.00 0.00 178.16 178.92 2dat h GLU 54 N 0.00 -0.46 -0.22 4.88 4.39 0.47 -3.34 114.58 120.30 2dat h GLU 54 Ca 0.00 0.03 -0.18 0.00 0.34 0.00 0.00 59.36 59.55 2dat h GLU 54 Cb 0.88 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.63 2dat h GLU 54 CO 0.00 -0.19 -0.60 1.37 -1.16 0.00 0.00 179.01 178.43 2dat h LEU 55 N -1.04 0.83 -9.12 1.33 -0.00 -1.67 -3.42 115.31 102.22 2dat h LEU 55 Ca -0.05 -0.47 -0.57 0.00 -0.00 0.00 0.00 57.88 56.80 2dat h LEU 55 Cb 0.48 -0.24 -0.04 0.00 -0.00 0.00 0.00 40.66 40.86 2dat h LEU 55 CO 0.08 1.24 0.92 -0.63 -0.00 0.00 0.00 178.44 180.04 2dat s ILE 56 N -3.99 4.25 0.05 0.15 -1.09 -1.10 -4.94 121.20 114.53 2dat s ILE 56 Ca -0.09 1.50 -0.35 0.00 -2.23 0.00 0.00 60.65 59.48 2dat s ILE 56 Cb 0.10 -4.02 -0.20 0.00 -1.58 0.00 0.00 42.46 36.77 2dat s ILE 56 CO 0.87 -0.19 1.48 0.03 -1.23 0.00 0.00 174.94 175.91 2dat h ARG 57 N 8.39 -1.21 -3.34 2.79 2.47 -1.83 -3.41 114.38 118.25 2dat h ARG 57 Ca -0.26 0.08 -0.58 0.00 -1.26 0.00 0.00 59.98 57.95 2dat h ARG 57 Cb 1.10 0.28 -0.40 0.00 -1.65 0.00 0.00 29.97 29.30 2dat h ARG 57 CO 0.98 -0.81 -0.76 0.15 0.56 0.00 0.00 179.97 180.09 2dat s LYS 58 N -5.74 0.78 -1.08 0.04 1.02 -1.26 -5.06 119.74 108.44 2dat s LYS 58 Ca -0.19 -1.24 -0.23 0.00 0.02 0.00 0.00 55.97 54.33 2dat s LYS 58 Cb 0.02 -1.96 -0.07 0.00 -0.52 0.00 0.00 37.83 35.30 2dat s LYS 58 CO 0.57 -1.04 1.94 -1.25 -0.92 0.00 0.00 175.35 174.65 2dat s PRO 59 N 1.36 2.52 0.07 -1.68 0.04 -1.26 -4.86 135.00 131.20 2dat s PRO 59 Ca 0.12 -0.83 -0.01 0.00 0.04 0.00 0.00 61.00 60.32 2dat s PRO 59 Cb -0.19 -5.17 -0.04 0.00 0.04 0.00 0.00 34.50 29.13 2dat s PRO 59 CO -0.19 -3.75 0.24 0.54 0.04 0.00 0.00 177.00 173.88 2dat s VAL 60 N 10.65 5.35 0.18 -0.36 0.11 -1.26 -5.02 120.40 130.04 2dat s VAL 60 Ca 0.69 -0.31 -0.01 0.00 -2.93 0.00 0.00 61.98 59.42 2dat s VAL 60 Cb -0.03 -3.63 -0.04 0.00 -1.53 0.00 0.00 36.38 31.15 2dat s VAL 60 CO 0.08 0.12 0.12 -1.81 -3.33 0.00 0.00 175.10 170.28 2dat s ASP 61 N -2.49 0.19 0.54 3.54 1.11 -1.26 -4.48 116.67 113.81 2dat s ASP 61 Ca 0.36 -1.31 0.29 0.00 0.18 0.00 0.00 52.55 52.07 2dat s ASP 61 Cb -0.13 0.36 1.45 0.00 1.07 0.00 0.00 42.92 45.68 2dat s ASP 61 CO 0.27 -0.82 1.93 -0.26 1.18 0.00 0.00 175.17 177.47 2dat h PHE 62 N 2.68 0.00 -0.22 4.23 0.04 -1.65 0.34 116.94 122.36 2dat h PHE 62 Ca -0.35 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.35 2dat h PHE 62 Cb 1.23 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.37 2dat h PHE 62 CO 0.38 0.00 -0.14 0.87 -0.60 0.00 0.00 178.31 178.81 2dat h LYS 63 N 0.00 0.37 0.03 1.51 1.57 -1.81 -2.44 116.57 115.81 2dat h LYS 63 Ca 0.36 -0.10 -0.18 0.00 -1.87 0.00 0.00 60.65 58.86 2dat h LYS 63 Cb 1.46 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.71 2dat h LYS 63 CO -0.00 0.52 -0.95 0.87 -0.57 0.00 0.00 179.45 179.31 2dat h LYS 64 N 0.35 0.07 -1.02 3.15 6.56 -0.72 -3.01 116.57 121.95 2dat h LYS 64 Ca 0.07 -0.11 0.25 0.00 -1.06 0.00 0.00 60.65 59.80 2dat h LYS 64 Cb 0.47 0.04 -0.09 0.00 -0.57 0.00 0.00 32.23 32.08 2dat h LYS 64 CO 0.03 1.05 0.66 0.82 -2.06 0.00 0.00 179.45 179.95 2dat h ILE 65 N -0.81 0.56 0.15 1.86 2.04 -1.07 0.07 117.51 120.31 2dat h ILE 65 Ca -0.24 -0.14 -0.26 0.00 1.00 0.00 0.00 64.86 65.22 2dat h ILE 65 Cb 1.35 0.11 0.03 0.00 -0.74 0.00 0.00 36.82 37.57 2dat h ILE 65 CO -0.08 0.07 -1.10 0.11 0.00 0.00 0.00 178.15 177.15 2dat h LYS 66 N 0.41 0.48 -0.07 2.37 1.79 -1.57 -3.32 116.57 116.66 2dat h LYS 66 Ca 0.57 -0.72 0.03 0.00 -2.18 0.00 0.00 60.65 58.35 2dat h LYS 66 Cb 1.43 0.25 -0.06 0.00 -1.58 0.00 0.00 32.23 32.27 2dat h LYS 66 CO -0.28 1.33 -0.54 1.49 -1.08 0.00 0.00 179.45 180.37 2dat h GLU 67 N -0.00 -0.61 -0.77 3.15 4.81 -0.86 -1.90 114.58 118.40 2dat h GLU 67 Ca -0.18 0.04 0.14 0.00 -0.13 0.00 0.00 59.36 59.23 2dat h GLU 67 Cb 1.83 0.14 -0.14 0.00 0.63 0.00 0.00 28.75 31.21 2dat h GLU 67 CO 0.21 -0.40 -0.29 0.00 -0.73 0.00 0.00 179.01 177.79 2dat h ARG 68 N -0.63 -0.06 -0.75 1.92 3.08 -1.54 0.30 114.38 116.70 2dat h ARG 68 Ca 0.02 0.00 0.17 0.00 0.07 0.00 0.00 59.98 60.24 2dat h ARG 68 Cb 0.70 0.01 -0.11 0.00 0.08 0.00 0.00 29.97 30.65 2dat h ARG 68 CO -0.40 -0.04 0.17 0.82 -1.07 0.00 0.00 179.97 179.45 2dat h ILE 69 N -0.06 0.48 0.00 2.04 2.04 -1.45 0.62 117.51 121.18 2dat h ILE 69 Ca 0.32 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 66.04 2dat h ILE 69 Cb 0.58 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 2dat h ILE 69 CO -0.81 0.05 -0.28 0.03 0.00 0.00 0.00 178.15 177.13 2dat h ARG 70 N 0.25 0.00 -0.68 2.37 3.08 -0.04 -2.47 114.38 116.89 2dat h ARG 70 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.47 2dat h ARG 70 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.79 2dat h ARG 70 CO -0.53 0.28 0.00 0.09 -1.07 0.00 0.00 179.97 178.74 2dat n ASN 71 N -3.55 3.68 -4.20 7.04 3.02 0.17 -4.95 115.26 116.47 2dat n ASN 71 Ca -0.01 -2.02 -0.31 0.00 -0.03 0.00 0.00 54.58 52.22 2dat n ASN 71 Cb 0.43 -0.46 -0.06 0.00 -0.61 0.00 0.00 39.78 39.07 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 1.47 -1.43 0.03 3.10 8.25 0.15 -4.85 115.22 121.94 2dat n HIS 72 Ca 0.23 0.68 -0.19 0.00 -0.26 0.00 0.00 57.72 58.19 2dat n HIS 72 Cb 0.59 -3.06 -0.14 0.00 1.12 0.00 0.00 29.99 28.49 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 -1.69 0.26 -7.26 -0.41 1.79 -1.65 -3.47 116.57 104.13 2dat h LYS 73 Ca -0.64 -0.44 -0.52 0.00 -2.18 0.00 0.00 60.65 56.88 2dat h LYS 73 Cb 1.39 0.16 0.14 0.00 -1.58 0.00 0.00 32.23 32.35 2dat h LYS 73 CO 0.70 1.11 0.32 0.71 -1.08 0.00 0.00 179.45 181.22 2dat s TYR 74 N -2.59 2.28 -0.21 -1.35 2.02 -1.26 -4.99 117.35 111.26 2dat s TYR 74 Ca -0.14 1.62 0.04 0.00 -0.37 0.00 0.00 57.07 58.21 2dat s TYR 74 Cb 0.07 -3.21 -0.21 0.00 -0.40 0.00 0.00 41.96 38.21 2dat s TYR 74 CO 0.82 -2.14 -0.00 -2.13 -1.57 0.00 0.00 175.55 170.53 2dat n ARG 75 N -3.31 0.68 -3.52 -0.62 3.00 -1.26 -4.99 116.66 106.63 2dat n ARG 75 Ca 0.11 0.15 -0.08 0.00 -0.00 0.00 0.00 57.85 58.03 2dat n ARG 75 Cb 0.52 -1.57 -0.02 0.00 0.00 0.00 0.00 32.46 31.38 2dat n ARG 75 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2dat s SER 76 N -6.40 -0.33 0.38 6.15 1.04 -1.26 -5.01 113.70 108.26 2dat s SER 76 Ca -0.26 0.02 0.25 0.00 0.48 0.00 0.00 55.95 56.45 2dat s SER 76 Cb 0.08 0.35 1.32 0.00 0.10 0.00 0.00 66.02 67.86 2dat s SER 76 CO 0.69 -0.55 1.44 -0.11 0.98 0.00 0.00 173.24 175.69 2dat n LEU 77 N -0.17 0.25 -0.28 2.42 7.94 -1.26 0.30 117.00 126.19 2dat n LEU 77 Ca -0.08 1.38 0.07 0.00 -1.11 0.00 0.00 56.01 56.28 2dat n LEU 77 Cb 0.61 -0.67 0.19 0.00 0.53 0.00 0.00 43.42 44.07 2dat n LEU 77 CO 0.11 -1.52 0.81 1.23 -1.11 0.00 0.00 177.39 176.91 2dat h GLY 78 N 0.00 0.94 0.89 -3.96 0.00 -2.02 -1.63 103.07 97.29 2dat h GLY 78 Ca 0.80 0.13 -0.03 0.00 0.00 0.00 0.00 47.33 48.22 2dat h GLY 78 CO -0.54 -0.34 -0.34 -0.55 0.00 0.00 0.00 176.54 174.76 2dat h ASP 79 N 0.08 -0.81 -0.72 0.19 5.19 -0.57 -3.12 116.42 116.66 2dat h ASP 79 Ca 0.46 0.00 0.13 0.00 -0.62 0.00 0.00 57.03 57.01 2dat h ASP 79 Cb 0.84 0.21 -0.13 0.00 0.18 0.00 0.00 39.33 40.44 2dat h ASP 79 CO -0.74 -0.50 -0.22 -0.11 -3.12 0.00 0.00 179.24 174.54 2dat n LEU 80 N -5.46 -0.34 0.00 1.55 7.94 -0.64 -0.97 117.00 119.08 2dat n LEU 80 Ca -0.13 1.25 0.00 0.00 -1.11 0.00 0.00 56.01 56.01 2dat n LEU 80 Cb 0.40 -0.34 0.00 0.00 0.53 0.00 0.00 43.42 44.00 2dat n LEU 80 CO 0.35 -1.17 0.47 1.21 -1.11 0.00 0.00 177.39 177.15 2dat n GLU 81 N -5.13 0.00 -0.32 1.96 2.13 -1.02 -0.16 120.64 118.09 2dat n GLU 81 Ca 0.10 0.86 0.17 0.00 0.66 0.00 0.00 57.16 58.95 2dat n GLU 81 Cb 0.33 -1.44 0.35 0.00 0.27 0.00 0.00 31.44 30.95 2dat n GLU 81 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2dat h LYS 82 N 0.00 0.08 -0.16 5.31 1.79 -1.14 0.57 116.57 123.02 2dat h LYS 82 Ca 0.00 -0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.47 2dat h LYS 82 Cb 0.00 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 2dat h LYS 82 CO 0.00 0.05 0.08 -0.44 -1.08 0.00 0.00 179.45 178.07 2dat h ASP 83 N 0.08 0.13 0.53 0.86 5.19 -0.53 0.84 116.42 123.53 2dat h ASP 83 Ca 0.63 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.97 2dat h ASP 83 Cb 1.38 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.86 2dat h ASP 83 CO -0.80 0.10 -0.37 0.58 -3.12 0.00 0.00 179.24 175.64 2dat h VAL 84 N 0.18 1.08 -0.06 -1.35 2.07 0.32 -2.98 116.25 115.51 2dat h VAL 84 Ca 0.06 -1.35 -0.05 0.00 0.82 0.00 0.00 66.70 66.18 2dat h VAL 84 Cb 0.00 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2dat h VAL 84 CO -0.03 0.36 -0.16 0.24 0.02 0.00 0.00 177.57 177.99 2dat h MET 85 N 0.00 0.21 0.25 1.57 2.86 0.46 -3.28 114.93 117.01 2dat h MET 85 Ca -0.00 -0.15 0.01 0.00 -2.06 0.00 0.00 59.70 57.49 2dat h MET 85 Cb 0.73 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.38 2dat h MET 85 CO 0.05 0.76 -0.41 1.25 1.06 0.00 0.00 176.91 179.62 2dat h LEU 86 N -0.30 -1.18 -0.93 1.22 5.85 -0.79 -1.89 115.31 117.29 2dat h LEU 86 Ca -0.00 0.12 0.31 0.00 0.84 0.00 0.00 57.88 59.14 2dat h LEU 86 Cb 0.77 0.42 -0.17 0.00 0.37 0.00 0.00 40.66 42.06 2dat h LEU 86 CO 0.03 -0.52 0.22 -0.11 -0.34 0.00 0.00 178.44 177.72 2dat n LEU 87 N -5.48 0.07 0.20 2.25 0.00 -1.13 -1.00 117.00 111.90 2dat n LEU 87 Ca -0.09 1.56 -0.08 0.00 0.00 0.00 0.00 56.01 57.40 2dat n LEU 87 Cb 0.39 -0.65 -0.04 0.00 0.00 0.00 0.00 43.42 43.12 2dat n LEU 87 CO 0.23 -1.65 0.34 0.00 0.00 0.00 0.00 177.39 176.31 2dat h HIS 89 N -0.76 -0.73 -0.87 0.00 -0.00 -0.39 0.13 115.15 112.54 2dat h HIS 89 Ca -0.06 0.05 0.17 0.00 -0.00 0.00 0.00 60.37 60.53 2dat h HIS 89 Cb 0.41 0.37 -0.16 0.00 -0.00 0.00 0.00 27.41 28.03 2dat h HIS 89 CO 0.06 -0.15 -0.23 0.09 -0.00 0.00 0.00 177.93 177.71 2dat n ASN 90 N -3.86 -0.33 -0.23 3.26 3.02 -0.44 0.15 115.26 116.82 2dat n ASN 90 Ca 0.01 1.49 0.03 0.00 -0.03 0.00 0.00 54.58 56.08 2dat n ASN 90 Cb 0.10 -0.44 0.15 0.00 -0.61 0.00 0.00 39.78 38.98 2dat n ASN 90 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dat h ALA 91 N 1.69 0.93 -0.02 5.41 0.00 -0.66 0.63 119.26 127.25 2dat h ALA 91 Ca 0.41 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 55.32 2dat h ALA 91 Cb 0.62 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2dat h ALA 91 CO -0.89 -0.22 -0.50 1.96 0.00 0.00 0.00 179.25 179.60 2dat h GLN 92 N 0.40 0.05 -0.12 0.00 4.20 0.18 0.34 115.11 120.17 2dat h GLN 92 Ca 0.37 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.97 2dat h GLN 92 Cb 0.54 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 2dat h GLN 92 CO -0.38 0.54 -0.29 1.15 -0.67 0.00 0.00 178.83 179.17 2dat h THR 93 N 0.04 1.26 0.00 -0.54 2.02 0.12 -3.32 112.91 112.48 2dat h THR 93 Ca -0.00 -1.21 -0.23 0.00 0.77 0.00 0.00 66.41 65.74 2dat h THR 93 Cb 0.89 1.49 -0.03 0.00 -1.74 0.00 0.00 68.15 68.76 2dat h THR 93 CO 0.07 0.37 -1.49 0.33 0.37 0.00 0.00 175.52 175.16 2dat n PHE 94 N -4.13 0.55 -1.35 3.16 7.35 -0.54 -4.97 117.46 117.52 2dat n PHE 94 Ca -0.01 0.24 -0.32 0.00 -0.76 0.00 0.00 57.45 56.60 2dat n PHE 94 Cb 0.39 -0.93 0.09 0.00 0.35 0.00 0.00 39.48 39.38 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 -6.72 4.45 0.84 -2.13 0.01 0.12 -5.03 114.94 106.48 2dat s ASN 95 Ca -0.29 1.97 -0.12 0.00 -0.71 0.00 0.00 52.86 53.70 2dat s ASN 95 Cb 0.08 -2.54 0.10 0.00 0.41 0.00 0.00 41.25 39.29 2dat s ASN 95 CO 0.47 -2.07 1.16 -0.76 -1.51 0.00 0.00 177.10 174.39 2dat s LEU 96 N -5.63 2.34 0.82 0.60 1.02 -1.26 -4.70 118.68 111.86 2dat s LEU 96 Ca 0.65 0.87 -0.12 0.00 0.02 0.00 0.00 54.13 55.55 2dat s LEU 96 Cb -0.20 -3.32 0.08 0.00 0.02 0.00 0.00 46.19 42.78 2dat s LEU 96 CO 0.51 -2.13 1.17 -1.61 0.02 0.00 0.00 176.35 174.31 2dat s GLU 97 N -5.45 1.92 -0.04 1.70 8.01 -1.26 -3.81 118.70 119.77 2dat s GLU 97 Ca 0.62 0.17 -0.01 0.00 0.01 0.00 0.00 54.97 55.77 2dat s GLU 97 Cb -0.12 -1.94 0.01 0.00 -4.31 0.00 0.00 34.13 27.76 2dat s GLU 97 CO 0.51 -1.64 0.01 0.41 0.01 0.00 0.00 175.26 174.57 2dat n GLY 98 N -3.12 -0.38 3.96 -1.39 0.00 -1.26 -4.84 105.19 98.16 2dat n GLY 98 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.58 5.76 0.21 1.61 0.15 -1.25 -4.95 113.70 113.66 2dat s SER 99 Ca 0.02 0.17 -0.09 0.00 0.70 0.00 0.00 55.95 56.75 2dat s SER 99 Cb -0.01 -1.38 0.30 0.00 -1.71 0.00 0.00 66.02 63.21 2dat s SER 99 CO 0.02 -0.74 1.74 1.56 1.20 0.00 0.00 173.24 177.03 2dat h GLN 100 N 0.41 0.38 -0.00 5.44 1.08 -1.91 -2.55 115.11 117.96 2dat h GLN 100 Ca -0.45 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 56.70 2dat h GLN 100 Cb 1.26 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 2dat h GLN 100 CO 0.56 0.25 -0.10 0.82 -0.95 0.00 0.00 178.83 179.41 2dat h ILE 101 N 0.39 1.60 -0.86 2.54 2.04 -1.94 -3.32 117.51 117.96 2dat h ILE 101 Ca 0.32 -1.90 0.09 0.00 1.00 0.00 0.00 64.86 64.37 2dat h ILE 101 Cb 0.41 2.85 -0.11 0.00 -0.74 0.00 0.00 36.82 39.23 2dat h ILE 101 CO -0.33 0.50 -0.47 0.00 0.00 0.00 0.00 178.15 177.86 2dat n TYR 102 N -4.62 -0.28 -0.27 1.37 9.36 -1.06 0.11 117.16 121.77 2dat n TYR 102 Ca -0.10 1.07 0.07 0.00 3.32 0.00 0.00 57.90 62.27 2dat n TYR 102 Cb 0.44 -0.63 0.22 0.00 -0.63 0.00 0.00 39.34 38.73 2dat n TYR 102 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 2dat h GLU 103 N 0.00 0.35 -0.01 2.98 4.39 -1.59 -1.94 114.58 118.76 2dat h GLU 103 Ca 0.18 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.88 2dat h GLU 103 Cb 0.39 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 28.91 2dat h GLU 103 CO -0.82 0.23 -0.51 -0.44 -1.16 0.00 0.00 179.01 176.31 2dat h ASP 104 N 0.36 -1.57 -0.92 1.42 5.19 0.75 -0.91 116.42 120.74 2dat h ASP 104 Ca 0.45 0.18 0.26 0.00 -0.62 0.00 0.00 57.03 57.31 2dat h ASP 104 Cb 0.77 0.60 -0.15 0.00 0.18 0.00 0.00 39.33 40.74 2dat h ASP 104 CO -0.48 -0.51 0.33 0.77 -3.12 0.00 0.00 179.24 176.23 2dat h SER 105 N -0.65 0.14 -0.18 6.45 4.64 -0.91 0.88 113.55 123.92 2dat h SER 105 Ca 0.02 0.20 -0.06 0.00 -0.47 0.00 0.00 61.79 61.48 2dat h SER 105 Cb 0.71 0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 63.02 2dat h SER 105 CO -0.35 -0.16 -0.06 0.40 -0.87 0.00 0.00 176.83 175.79 2dat h ILE 106 N 0.24 1.21 0.35 0.95 5.03 -1.02 -3.05 117.51 121.21 2dat h ILE 106 Ca 0.61 -0.89 -0.02 0.00 -0.12 0.00 0.00 64.86 64.45 2dat h ILE 106 Cb 1.29 1.04 0.00 0.00 -3.03 0.00 0.00 36.82 36.13 2dat h ILE 106 CO -0.65 0.30 -0.17 0.58 -0.68 0.00 0.00 178.15 177.53 2dat h VAL 107 N 0.48 0.00 -1.20 1.67 2.07 0.18 -3.15 116.25 116.29 2dat h VAL 107 Ca 0.10 -0.57 0.43 0.00 0.82 0.00 0.00 66.70 67.48 2dat h VAL 107 Cb 0.40 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.04 2dat h VAL 107 CO 0.02 0.00 0.75 0.18 0.02 0.00 0.00 177.57 178.54 2dat n LEU 108 N -4.85 0.22 -0.11 2.57 4.77 0.02 0.19 117.00 119.81 2dat n LEU 108 Ca -0.06 1.34 -0.11 0.00 -0.03 0.00 0.00 56.01 57.15 2dat n LEU 108 Cb 0.19 -0.66 -0.03 0.00 -2.33 0.00 0.00 43.42 40.59 2dat n LEU 108 CO 0.14 -1.47 0.75 1.56 -1.33 0.00 0.00 177.39 177.04 2dat h GLN 109 N 0.00 0.61 -0.09 3.23 4.20 -1.57 -2.19 115.11 119.31 2dat h GLN 109 Ca 0.81 -0.21 -0.02 0.00 0.06 0.00 0.00 58.65 59.29 2dat h GLN 109 Cb 2.52 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 30.24 2dat h GLN 109 CO -0.49 0.75 -0.05 1.03 -0.67 0.00 0.00 178.83 179.40 2dat h SER 110 N 0.40 0.11 -0.14 1.46 0.87 0.22 -2.44 113.55 114.03 2dat h SER 110 Ca 0.09 -0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.50 2dat h SER 110 Cb 0.50 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 2dat h SER 110 CO 0.02 0.19 -0.45 0.58 -0.53 0.00 0.00 176.83 176.64 2dat h VAL 111 N 0.12 1.35 0.37 2.23 2.07 -1.10 -2.75 116.25 118.55 2dat h VAL 111 Ca 0.03 -1.73 -0.01 0.00 0.82 0.00 0.00 66.70 65.81 2dat h VAL 111 Cb 0.18 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 2dat h VAL 111 CO 0.01 0.53 -0.26 0.15 0.02 0.00 0.00 177.57 178.01 2dat h PHE 112 N 0.19 -0.69 -0.18 1.57 3.04 -0.98 0.49 116.94 120.37 2dat h PHE 112 Ca -0.02 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 61.98 2dat h PHE 112 Cb 1.08 0.25 -0.06 0.00 2.56 0.00 0.00 35.95 39.79 2dat h PHE 112 CO 0.10 -0.40 -0.17 0.87 -2.02 0.00 0.00 178.31 176.69 2dat h LYS 113 N -0.63 -0.19 0.57 1.11 6.56 -1.54 -1.96 116.57 120.49 2dat h LYS 113 Ca -0.03 0.01 -0.02 0.00 -1.06 0.00 0.00 60.65 59.55 2dat h LYS 113 Cb 0.53 0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 32.22 2dat h LYS 113 CO 0.01 -0.12 -0.46 1.03 -2.06 0.00 0.00 179.45 177.85 2dat h SER 114 N -0.19 -1.22 -1.53 0.86 0.87 -1.34 0.41 113.55 111.42 2dat h SER 114 Ca 0.12 0.09 0.45 0.00 -1.23 0.00 0.00 61.79 61.21 2dat h SER 114 Cb 0.36 0.38 -0.08 0.00 -0.44 0.00 0.00 62.40 62.63 2dat h SER 114 CO -0.30 -0.64 1.08 0.00 -0.53 0.00 0.00 176.83 176.43 2dat h ALA 115 N -1.09 3.31 0.01 6.23 0.00 -0.73 0.13 119.26 127.12 2dat h ALA 115 Ca -0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2dat h ALA 115 Cb 0.84 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2dat h ALA 115 CO 0.01 -1.80 -0.01 -0.09 0.00 0.00 0.00 179.25 177.36 2dat h ARG 116 N 0.04 -0.02 -0.84 0.00 2.43 -0.53 -3.29 114.38 112.17 2dat h ARG 116 Ca 0.77 0.00 0.15 0.00 -0.81 0.00 0.00 59.98 60.09 2dat h ARG 116 Cb 2.89 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 32.30 2dat h ARG 116 CO -0.10 0.70 -0.30 1.96 -1.51 0.00 0.00 179.97 180.73 2dat h GLN 117 N -0.96 -0.04 -1.12 0.20 4.20 0.14 1.11 115.11 118.63 2dat h GLN 117 Ca -0.00 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 2dat h GLN 117 Cb 0.73 0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.43 2dat h GLN 117 CO 0.00 -0.02 0.20 0.45 -0.67 0.00 0.00 178.83 178.79 2dat n SER 118 N -5.51 3.71 0.00 1.46 2.88 -0.91 -4.95 113.62 110.31 2dat n SER 118 Ca 0.10 -2.52 0.00 0.00 -1.33 0.00 0.00 58.87 55.12 2dat n SER 118 Cb 0.41 -0.68 0.00 0.00 -0.75 0.00 0.00 64.21 63.19 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 0.16 0.86 0.00 0.46 0.00 0.38 -4.45 105.19 102.61 2dat n GLY 119 Ca 0.17 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.99 2dat n GLY 119 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dat n PRO 120 N 0.00 -0.72 -1.33 1.61 -0.04 -1.26 -4.46 135.00 128.80 2dat n PRO 120 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 2dat n PRO 120 Cb 0.00 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 33.56 2dat n PRO 120 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dat s SER 121 N -1.51 4.19 -0.20 3.54 0.01 -1.26 -4.91 113.70 113.56 2dat s SER 121 Ca 0.00 1.56 -0.11 0.00 1.31 0.00 0.00 55.95 58.71 2dat s SER 121 Cb 0.00 -2.28 -0.08 0.00 0.21 0.00 0.00 66.02 63.86 2dat s SER 121 CO 0.00 -2.20 -0.27 -0.24 0.41 0.00 0.00 173.24 170.94 2dat n SER 122 N -3.60 1.52 0.00 2.44 2.88 -1.26 -5.10 113.62 110.49 2dat n SER 122 Ca 0.08 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 2dat n SER 122 Cb 0.55 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 2dat n SER 122 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42