#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dat n SER 2 N 0.00 -1.69 -4.13 1.61 2.88 -1.26 -5.02 113.62 106.01 2dat n SER 2 Ca 0.00 0.41 -0.17 0.00 -1.33 0.00 0.00 58.87 57.78 2dat n SER 2 Cb 0.00 -1.23 -0.12 0.00 -0.75 0.00 0.00 64.21 62.11 2dat n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dat s SER 3 N -1.88 1.39 -0.67 -3.46 0.15 -1.26 -4.92 113.70 103.05 2dat s SER 3 Ca 0.60 -0.56 -0.16 0.00 0.70 0.00 0.00 55.95 56.52 2dat s SER 3 Cb -0.25 -0.03 0.02 0.00 -1.71 0.00 0.00 66.02 64.05 2dat s SER 3 CO 0.64 -0.10 0.63 0.61 1.20 0.00 0.00 173.24 176.22 2dat n GLY 4 N 1.46 -0.71 3.64 9.45 0.00 -1.26 -4.75 105.19 113.02 2dat n GLY 4 Ca -0.21 0.84 -0.48 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.59 2.48 -4.73 1.61 3.41 -1.26 -4.92 113.62 108.63 2dat n SER 5 Ca -0.22 1.11 -0.33 0.00 -0.26 0.00 0.00 58.87 59.17 2dat n SER 5 Cb 0.69 -1.34 0.09 0.00 -0.26 0.00 0.00 64.21 63.39 2dat n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dat s SER 6 N 0.63 4.25 -0.09 4.04 0.01 -1.26 -4.63 113.70 116.64 2dat s SER 6 Ca 0.79 2.21 -0.05 0.00 1.31 0.00 0.00 55.95 60.20 2dat s SER 6 Cb -0.77 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 62.91 2dat s SER 6 CO 0.43 -2.22 0.10 0.61 0.41 0.00 0.00 173.24 172.57 2dat n GLY 7 N 0.02 -3.96 3.86 3.44 0.00 -1.26 -5.02 105.19 102.27 2dat n GLY 7 Ca 0.12 0.56 -0.35 0.00 0.00 0.00 0.00 46.02 46.35 2dat n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dat s SER 8 N -0.36 6.68 0.03 1.61 1.04 -1.26 -5.05 113.70 116.38 2dat s SER 8 Ca -0.12 0.83 -0.30 0.00 0.48 0.00 0.00 55.95 56.84 2dat s SER 8 Cb 0.01 -2.19 -0.06 0.00 0.10 0.00 0.00 66.02 63.87 2dat s SER 8 CO 0.37 0.20 1.42 -2.16 0.98 0.00 0.00 173.24 174.05 2dat s PRO 9 N -1.73 4.28 0.41 4.02 0.04 -1.26 -4.97 135.00 135.79 2dat s PRO 9 Ca 0.31 2.03 -0.26 0.00 0.04 0.00 0.00 61.00 63.12 2dat s PRO 9 Cb -0.14 -3.51 -0.08 0.00 0.04 0.00 0.00 34.50 30.80 2dat s PRO 9 CO 0.17 -0.56 1.28 -0.80 0.04 0.00 0.00 177.00 177.13 2dat s ASN 10 N 1.78 6.29 0.96 6.66 0.01 -1.26 -5.01 114.94 124.36 2dat s ASN 10 Ca 0.65 2.61 -0.12 0.00 -0.71 0.00 0.00 52.86 55.29 2dat s ASN 10 Cb -0.33 -2.63 0.16 0.00 0.41 0.00 0.00 41.25 38.86 2dat s ASN 10 CO 0.28 -0.86 1.09 -2.16 -1.51 0.00 0.00 177.10 173.94 2dat s PRO 11 N -2.29 0.77 0.16 -0.60 0.04 -1.26 -4.76 135.00 127.06 2dat s PRO 11 Ca 0.58 0.65 0.20 0.00 0.04 0.00 0.00 61.00 62.47 2dat s PRO 11 Cb -0.37 -1.77 0.84 0.00 0.04 0.00 0.00 34.50 33.24 2dat s PRO 11 CO 0.47 -2.53 1.61 -0.35 0.04 0.00 0.00 177.00 176.24 2dat n PRO 12 N -4.06 0.12 0.02 0.56 -0.04 -1.26 -1.62 135.00 128.73 2dat n PRO 12 Ca 0.06 0.36 -0.16 0.00 -0.04 0.00 0.00 63.50 63.72 2dat n PRO 12 Cb 0.56 -1.73 -0.14 0.00 -0.04 0.00 0.00 33.50 32.15 2dat n PRO 12 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2dat h LYS 13 N 0.00 0.19 0.00 0.54 3.64 -2.00 -3.32 116.57 115.62 2dat h LYS 13 Ca 0.00 -0.32 -0.02 0.00 -1.27 0.00 0.00 60.65 59.03 2dat h LYS 13 Cb 0.32 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2dat h LYS 13 CO 0.00 0.98 -0.16 1.25 -2.27 0.00 0.00 179.45 179.25 2dat h LEU 14 N 0.05 0.00 -0.76 5.20 7.12 -1.87 -3.16 115.31 121.90 2dat h LEU 14 Ca -0.31 -0.54 0.13 0.00 0.13 0.00 0.00 57.88 57.29 2dat h LEU 14 Cb 2.02 0.00 -0.13 0.00 -0.53 0.00 0.00 40.66 42.01 2dat h LEU 14 CO 0.12 0.86 -0.34 0.74 -0.13 0.00 0.00 178.44 179.69 2dat h THR 15 N -1.00 0.11 0.12 1.05 2.02 -1.52 -0.48 112.91 113.22 2dat h THR 15 Ca -0.04 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.15 2dat h THR 15 Cb 0.66 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 2dat h THR 15 CO -0.02 0.00 -0.17 0.50 0.37 0.00 0.00 175.52 176.20 2dat h LYS 16 N -0.09 -0.33 -0.75 6.66 3.64 -1.72 -2.89 116.57 121.09 2dat h LYS 16 Ca 0.29 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.78 2dat h LYS 16 Cb 0.57 0.07 -0.11 0.00 -0.41 0.00 0.00 32.23 32.36 2dat h LYS 16 CO -0.81 -0.22 -0.37 0.94 -2.27 0.00 0.00 179.45 176.73 2dat n GLN 17 N -5.29 -0.26 -0.15 1.90 7.27 -0.21 0.13 117.38 120.77 2dat n GLN 17 Ca -0.07 1.15 -0.05 0.00 0.07 0.00 0.00 57.00 58.11 2dat n GLN 17 Cb 0.21 -1.70 0.05 0.00 2.41 0.00 0.00 30.24 31.21 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 0.40 -0.21 3.69 2.86 -1.32 -2.52 114.93 117.83 2dat h MET 18 Ca 0.19 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.84 2dat h MET 18 Cb 0.38 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 2dat h MET 18 CO -0.73 0.27 0.02 -0.91 1.06 0.00 0.00 176.91 176.61 2dat h ASN 19 N 0.41 -0.04 -0.93 1.22 2.35 0.12 -1.89 115.58 116.82 2dat h ASN 19 Ca 0.21 0.04 0.23 0.00 -0.55 0.00 0.00 56.30 56.23 2dat h ASN 19 Cb 0.16 0.07 -0.12 0.00 0.05 0.00 0.00 38.32 38.47 2dat h ASN 19 CO -0.18 0.01 0.46 0.00 -1.65 0.00 0.00 177.43 176.07 2dat h ALA 20 N 1.17 1.56 0.13 -0.83 0.00 -0.16 0.53 119.26 121.66 2dat h ALA 20 Ca 0.10 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2dat h ALA 20 Cb 0.11 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2dat h ALA 20 CO -0.15 -0.31 -0.06 0.82 0.00 0.00 0.00 179.25 179.54 2dat h ILE 21 N 0.46 0.00 0.06 0.00 2.04 -1.15 -3.06 117.51 115.87 2dat h ILE 21 Ca 0.59 -0.10 0.02 0.00 1.00 0.00 0.00 64.86 66.36 2dat h ILE 21 Cb 1.11 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 2dat h ILE 21 CO -0.51 0.00 -0.54 0.40 0.00 0.00 0.00 178.15 177.51 2dat h ILE 22 N -0.28 0.00 -0.79 -0.67 1.08 -1.11 -1.92 117.51 113.83 2dat h ILE 22 Ca -0.02 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.57 2dat h ILE 22 Cb 0.14 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 33.76 2dat h ILE 22 CO 0.03 0.00 -0.32 -0.67 -0.69 0.00 0.00 178.15 176.50 2dat n ASP 23 N -5.48 -0.54 0.36 1.72 2.03 0.18 -0.26 116.55 114.57 2dat n ASP 23 Ca -0.08 1.38 -0.16 0.00 0.52 0.00 0.00 54.79 56.45 2dat n ASP 23 Cb 0.41 -0.31 -0.08 0.00 -0.72 0.00 0.00 41.12 40.42 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 -0.01 5.18 2.02 -1.30 0.26 112.91 119.06 2dat h THR 24 Ca 0.26 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.44 2dat h THR 24 Cb 0.46 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.87 2dat h THR 24 CO -0.78 0.00 -0.03 0.58 0.37 0.00 0.00 175.52 175.66 2dat h VAL 25 N -1.00 0.00 -0.85 3.16 2.07 -0.21 0.28 116.25 119.71 2dat h VAL 25 Ca -0.09 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.63 2dat h VAL 25 Cb 0.79 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.41 2dat h VAL 25 CO 0.10 0.00 -0.01 0.40 0.02 0.00 0.00 177.57 178.08 2dat h ILE 26 N -0.03 0.22 -0.94 4.57 2.04 -0.71 0.49 117.51 123.15 2dat h ILE 26 Ca 0.00 -0.02 0.03 0.00 1.00 0.00 0.00 64.86 65.87 2dat h ILE 26 Cb 0.03 0.14 -0.05 0.00 -0.74 0.00 0.00 36.82 36.20 2dat h ILE 26 CO -0.02 0.01 0.61 0.78 0.00 0.00 0.00 178.15 179.53 2dat h ASN 27 N 0.07 1.02 -0.72 1.72 -0.26 -0.27 -3.42 115.58 113.73 2dat h ASN 27 Ca 0.47 -0.01 -0.51 0.00 -0.56 0.00 0.00 56.30 55.69 2dat h ASN 27 Cb 0.87 -0.23 0.06 0.00 -1.06 0.00 0.00 38.32 37.96 2dat h ASN 27 CO -0.77 0.70 -0.21 0.00 -1.06 0.00 0.00 177.43 176.09 2dat n TYR 28 N -4.48 -0.02 -4.75 1.19 4.19 0.17 -4.72 117.16 108.73 2dat n TYR 28 Ca 0.12 0.72 -0.24 0.00 3.31 0.00 0.00 57.90 61.81 2dat n TYR 28 Cb 0.09 -1.44 -0.15 0.00 0.49 0.00 0.00 39.34 38.32 2dat n TYR 28 CO 0.00 0.00 0.00 0.15 0.91 0.00 0.00 176.86 177.92 2dat s LYS 29 N -0.43 1.35 -0.04 2.98 1.02 -1.26 -4.04 119.74 119.32 2dat s LYS 29 Ca 0.54 -0.67 -0.22 0.00 0.02 0.00 0.00 55.97 55.63 2dat s LYS 29 Cb -0.77 -1.33 -0.27 0.00 -0.52 0.00 0.00 37.83 34.95 2dat s LYS 29 CO 0.40 0.36 0.97 0.22 -0.92 0.00 0.00 175.35 176.38 2dat h ASP 30 N 5.53 0.40 -0.75 2.83 3.58 -1.82 -3.34 116.42 122.85 2dat h ASP 30 Ca -0.37 -0.87 -0.50 0.00 0.42 0.00 0.00 57.03 55.70 2dat h ASP 30 Cb 1.15 -0.13 -0.29 0.00 1.72 0.00 0.00 39.33 41.79 2dat h ASP 30 CO 0.47 1.23 0.05 -0.24 -2.88 0.00 0.00 179.24 177.88 2dat n SER 31 N -4.26 5.14 -4.30 2.28 2.88 -1.26 -4.92 113.62 109.18 2dat n SER 31 Ca -0.12 -3.77 -0.37 0.00 -1.33 0.00 0.00 58.87 53.28 2dat n SER 31 Cb 0.69 -0.67 -0.04 0.00 -0.75 0.00 0.00 64.21 63.44 2dat n SER 31 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dat n SER 32 N -0.92 -2.61 0.00 -3.46 7.64 -1.25 -4.46 113.62 108.55 2dat n SER 32 Ca 0.49 -1.08 0.00 0.00 1.01 0.00 0.00 58.87 59.29 2dat n SER 32 Cb 0.94 -2.42 0.00 0.00 -1.01 0.00 0.00 64.21 61.72 2dat n SER 32 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dat n GLY 33 N -1.38 0.13 3.31 0.23 0.00 -1.26 -5.08 105.19 101.13 2dat n GLY 33 Ca 0.05 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.14 3.31 -0.27 1.61 3.00 -1.26 -5.04 118.95 119.17 2dat s ARG 34 Ca 0.00 -0.70 -0.23 0.00 0.00 0.00 0.00 55.73 54.80 2dat s ARG 34 Cb 0.00 -2.72 -0.01 0.00 0.00 0.00 0.00 34.95 32.23 2dat s ARG 34 CO 0.00 0.03 0.78 1.14 0.00 0.00 0.00 175.30 177.25 2dat s GLN 35 N 0.82 4.09 0.55 3.54 -2.07 -1.26 -2.24 119.66 123.09 2dat s GLN 35 Ca -0.04 0.75 0.29 0.00 -1.82 0.00 0.00 55.36 54.53 2dat s GLN 35 Cb -0.15 -3.68 1.46 0.00 -1.09 0.00 0.00 33.01 29.55 2dat s GLN 35 CO 0.00 -0.56 1.93 -0.07 -1.32 0.00 0.00 175.29 175.28 2dat h LEU 36 N 9.24 0.00 -2.41 2.60 4.07 -1.86 0.22 115.31 127.16 2dat h LEU 36 Ca -0.24 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.72 2dat h LEU 36 Cb 1.10 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.84 2dat h LEU 36 CO 0.86 0.00 0.19 0.77 -1.08 0.00 0.00 178.44 179.18 2dat h SER 37 N 0.00 0.00 -0.33 -0.43 4.64 -1.84 -2.82 113.55 112.77 2dat h SER 37 Ca 0.31 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.68 2dat h SER 37 Cb 1.33 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.34 2dat h SER 37 CO -0.00 0.00 -0.56 -0.33 -0.87 0.00 0.00 176.83 175.07 2dat h GLU 38 N 0.00 -0.43 0.00 4.77 5.08 -0.90 1.30 114.58 124.40 2dat h GLU 38 Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2dat h GLU 38 Cb 0.39 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2dat h GLU 38 CO -0.00 -0.29 0.08 1.33 -1.00 0.00 0.00 179.01 179.13 2dat n VAL 39 N -5.39 1.26 0.34 3.13 0.24 -1.06 0.08 118.33 116.93 2dat n VAL 39 Ca -0.04 0.64 0.07 0.00 -2.04 0.00 0.00 64.34 62.97 2dat n VAL 39 Cb 0.35 -1.64 -0.10 0.00 -1.47 0.00 0.00 33.84 30.98 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 -1.87 0.00 0.16 6.34 3.01 0.28 -4.63 117.46 120.75 2dat n PHE 40 Ca -0.01 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.32 2dat n PHE 40 Cb 0.10 -0.18 -0.08 0.00 -0.01 0.00 0.00 39.48 39.31 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 0.00 -3.99 4.37 1.08 0.53 -2.97 117.51 116.53 2dat h ILE 41 Ca 0.00 0.00 -0.44 0.00 -0.39 0.00 0.00 64.86 64.03 2dat h ILE 41 Cb 0.54 0.00 -0.23 0.00 -3.07 0.00 0.00 36.82 34.06 2dat h ILE 41 CO 0.00 0.00 -0.79 0.00 -0.69 0.00 0.00 178.15 176.67 2dat s GLN 42 N -5.14 0.91 0.22 2.37 0.00 -1.25 -2.81 119.66 113.96 2dat s GLN 42 Ca -0.13 -0.90 0.04 0.00 -0.00 0.00 0.00 55.36 54.37 2dat s GLN 42 Cb 0.04 -0.95 -0.05 0.00 0.00 0.00 0.00 33.01 32.05 2dat s GLN 42 CO 0.46 0.22 -0.03 -0.48 0.00 0.00 0.00 175.29 175.46 2dat s LEU 43 N -1.51 2.30 -0.10 2.60 0.05 -1.26 -4.91 118.68 115.85 2dat s LEU 43 Ca 0.01 -1.16 -0.29 0.00 0.05 0.00 0.00 54.13 52.73 2dat s LEU 43 Cb -0.09 -0.33 -0.04 0.00 -2.05 0.00 0.00 46.19 43.68 2dat s LEU 43 CO 0.02 -0.45 1.53 -2.16 -0.55 0.00 0.00 176.35 174.74 2dat s PRO 44 N -3.82 4.18 1.35 1.48 0.04 -1.26 -5.00 135.00 131.97 2dat s PRO 44 Ca 0.26 2.00 -0.21 0.00 0.04 0.00 0.00 61.00 63.09 2dat s PRO 44 Cb 0.05 -3.92 0.33 0.00 0.04 0.00 0.00 34.50 31.00 2dat s PRO 44 CO 0.07 -0.82 0.78 0.43 0.04 0.00 0.00 177.00 177.50 2dat n SER 45 N 7.01 -3.58 -0.29 6.66 7.64 -1.26 -4.06 113.62 125.74 2dat n SER 45 Ca 0.16 -0.67 0.06 0.00 1.01 0.00 0.00 58.87 59.44 2dat n SER 45 Cb 0.43 -1.00 0.21 0.00 -1.01 0.00 0.00 64.21 62.84 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 -3.31 0.64 0.64 1.43 3.08 -1.94 0.13 114.38 115.06 2dat h ARG 46 Ca -0.41 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.57 2dat h ARG 46 Cb 1.24 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 31.15 2dat h ARG 46 CO 0.27 0.43 -0.31 -0.22 -1.07 0.00 0.00 179.97 179.07 2dat h LYS 47 N 0.66 -0.83 0.74 0.04 3.64 -1.97 -1.48 116.57 117.38 2dat h LYS 47 Ca 0.45 0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.85 2dat h LYS 47 Cb 0.58 0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.59 2dat h LYS 47 CO -0.33 -0.55 -0.43 0.93 -2.27 0.00 0.00 179.45 176.79 2dat h GLU 48 N -0.87 -1.05 -3.59 1.90 4.39 -1.73 -3.39 114.58 110.24 2dat h GLU 48 Ca -0.09 0.07 -0.62 0.00 0.34 0.00 0.00 59.36 59.06 2dat h GLU 48 Cb 0.66 0.24 -0.40 0.00 -0.10 0.00 0.00 28.75 29.15 2dat h GLU 48 CO 0.15 -0.70 -0.71 -1.17 -1.16 0.00 0.00 179.01 175.42 2dat s LEU 49 N -9.20 3.49 -0.02 1.33 2.96 0.41 -4.98 118.68 112.68 2dat s LEU 49 Ca -0.17 -2.42 -0.25 0.00 -0.22 0.00 0.00 54.13 51.07 2dat s LEU 49 Cb 0.02 -1.29 -0.20 0.00 0.50 0.00 0.00 46.19 45.22 2dat s LEU 49 CO 0.52 -0.31 1.22 1.55 -1.32 0.00 0.00 176.35 178.01 2dat h PRO 50 N 7.14 -0.06 -0.97 0.98 0.13 -1.45 -3.22 132.00 134.55 2dat h PRO 50 Ca -0.06 0.00 0.33 0.00 -0.87 0.00 0.00 66.00 65.40 2dat h PRO 50 Cb 0.96 0.01 -0.17 0.00 0.13 0.00 0.00 31.00 31.93 2dat h PRO 50 CO 0.54 0.41 0.37 1.05 -0.23 0.00 0.00 178.00 180.15 2dat h GLU 51 N -0.55 0.12 -0.95 0.86 4.11 -1.94 0.88 114.58 117.11 2dat h GLU 51 Ca -0.01 -0.01 0.13 0.00 0.07 0.00 0.00 59.36 59.55 2dat h GLU 51 Cb 0.49 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.63 2dat h GLU 51 CO 0.01 0.08 0.58 -0.92 0.07 0.00 0.00 179.01 178.82 2dat h TYR 52 N 0.12 1.03 -0.00 2.06 3.20 -1.94 0.47 116.97 121.91 2dat h TYR 52 Ca 0.71 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.61 2dat h TYR 52 Cb 1.67 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 39.62 2dat h TYR 52 CO -0.17 0.36 -0.02 0.66 -1.64 0.00 0.00 178.16 177.36 2dat n TYR 53 N -4.70 0.00 -0.10 -3.82 4.02 0.30 -1.82 117.16 111.05 2dat n TYR 53 Ca 0.18 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.88 2dat n TYR 53 Cb 0.39 -0.10 -0.09 0.00 -0.02 0.00 0.00 39.34 39.51 2dat n TYR 53 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2dat n GLU 54 N -0.98 0.54 0.11 -0.72 1.02 0.16 -4.50 120.64 116.28 2dat n GLU 54 Ca 0.20 0.54 -0.18 0.00 -0.02 0.00 0.00 57.16 57.70 2dat n GLU 54 Cb 0.19 -1.71 -0.14 0.00 -0.02 0.00 0.00 31.44 29.75 2dat n GLU 54 CO 0.00 0.00 0.00 1.37 1.18 0.00 0.00 177.13 179.68 2dat h LEU 55 N -1.00 0.50 -9.74 -4.62 -0.00 -1.43 -3.45 115.31 95.57 2dat h LEU 55 Ca -0.31 -0.55 -0.49 0.00 -0.00 0.00 0.00 57.88 56.53 2dat h LEU 55 Cb 1.18 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 41.66 2dat h LEU 55 CO -0.19 1.44 0.37 -0.63 -0.00 0.00 0.00 178.44 179.43 2dat s ILE 56 N -2.64 4.03 -0.14 0.15 -1.09 -0.75 -4.98 121.20 115.78 2dat s ILE 56 Ca -0.06 2.00 -0.15 0.00 -2.23 0.00 0.00 60.65 60.21 2dat s ILE 56 Cb 0.06 -4.27 -0.25 0.00 -1.58 0.00 0.00 42.46 36.43 2dat s ILE 56 CO 0.89 0.46 0.41 0.08 -1.23 0.00 0.00 174.94 175.55 2dat h ARG 57 N 4.27 0.17 -2.69 2.79 -0.00 -1.88 -3.44 114.38 113.61 2dat h ARG 57 Ca -0.45 -0.30 -0.60 0.00 -0.00 0.00 0.00 59.98 58.63 2dat h ARG 57 Cb 1.20 0.11 -0.39 0.00 -0.00 0.00 0.00 29.97 30.89 2dat h ARG 57 CO 0.68 1.14 -0.82 0.15 -0.00 0.00 0.00 179.97 181.13 2dat s LYS 58 N -2.46 1.31 -1.09 0.08 1.02 -1.26 -5.06 119.74 112.28 2dat s LYS 58 Ca -0.23 -2.28 -0.23 0.00 0.02 0.00 0.00 55.97 53.24 2dat s LYS 58 Cb 0.05 -2.07 -0.07 0.00 -0.52 0.00 0.00 37.83 35.22 2dat s LYS 58 CO 0.71 -1.29 1.94 -1.25 -0.92 0.00 0.00 175.35 174.54 2dat s PRO 59 N -0.11 2.51 0.35 -1.68 0.04 -1.26 -4.88 135.00 129.98 2dat s PRO 59 Ca 0.26 -0.86 0.06 0.00 0.04 0.00 0.00 61.00 60.49 2dat s PRO 59 Cb -0.07 -5.18 -0.01 0.00 0.04 0.00 0.00 34.50 29.28 2dat s PRO 59 CO -0.12 -3.78 0.50 0.54 0.04 0.00 0.00 177.00 174.18 2dat s VAL 60 N 10.71 4.04 0.05 -0.36 0.11 -1.26 -5.10 120.40 128.59 2dat s VAL 60 Ca 0.69 -0.93 -0.09 0.00 -2.93 0.00 0.00 61.98 58.72 2dat s VAL 60 Cb -0.03 -3.41 0.00 0.00 -1.53 0.00 0.00 36.38 31.41 2dat s VAL 60 CO 0.08 -0.17 0.19 1.51 -3.33 0.00 0.00 175.10 173.38 2dat s ASP 61 N -4.18 0.05 0.34 3.54 -4.77 -1.26 -4.76 116.67 105.63 2dat s ASP 61 Ca 0.46 -0.42 0.12 0.00 -3.30 0.00 0.00 52.55 49.41 2dat s ASP 61 Cb -0.10 0.29 0.94 0.00 -1.09 0.00 0.00 42.92 42.97 2dat s ASP 61 CO 0.32 -0.58 1.74 -0.26 0.70 0.00 0.00 175.17 177.09 2dat h PHE 62 N 3.36 0.91 -0.63 2.11 0.04 -1.57 0.16 116.94 121.33 2dat h PHE 62 Ca -0.32 0.03 0.09 0.00 2.80 0.00 0.00 57.97 60.56 2dat h PHE 62 Cb 1.19 -0.26 -0.07 0.00 2.20 0.00 0.00 35.95 39.01 2dat h PHE 62 CO 0.49 0.08 0.28 0.87 -0.60 0.00 0.00 178.31 179.42 2dat h LYS 63 N 0.54 0.47 -0.06 1.51 1.57 -1.78 -0.98 116.57 117.85 2dat h LYS 63 Ca 0.63 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 59.30 2dat h LYS 63 Cb 1.29 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2dat h LYS 63 CO -0.42 0.31 -0.26 0.87 -0.57 0.00 0.00 179.45 179.39 2dat h LYS 64 N 0.49 0.28 -1.00 3.15 1.79 -1.06 -1.61 116.57 118.62 2dat h LYS 64 Ca 0.31 -0.22 0.21 0.00 -2.18 0.00 0.00 60.65 58.77 2dat h LYS 64 Cb 0.34 0.04 -0.11 0.00 -1.58 0.00 0.00 32.23 30.92 2dat h LYS 64 CO -0.27 0.86 0.59 0.82 -1.08 0.00 0.00 179.45 180.37 2dat h ILE 65 N -0.24 0.63 0.18 1.86 2.04 -0.76 -0.40 117.51 120.82 2dat h ILE 65 Ca -0.02 -0.23 -0.31 0.00 1.00 0.00 0.00 64.86 65.30 2dat h ILE 65 Cb 0.90 -0.10 0.03 0.00 -0.74 0.00 0.00 36.82 36.91 2dat h ILE 65 CO 0.05 0.12 -1.35 0.11 0.00 0.00 0.00 178.15 177.09 2dat h LYS 66 N 0.67 0.51 -0.00 2.37 1.57 -1.21 -3.34 116.57 117.13 2dat h LYS 66 Ca 0.60 -0.79 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2dat h LYS 66 Cb 1.04 0.28 -0.01 0.00 0.08 0.00 0.00 32.23 33.62 2dat h LYS 66 CO -0.43 1.37 -0.10 1.49 -0.57 0.00 0.00 179.45 181.21 2dat h GLU 67 N 0.17 -0.12 -0.83 3.15 4.22 -0.05 -2.17 114.58 118.95 2dat h GLU 67 Ca -0.21 0.01 0.17 0.00 0.08 0.00 0.00 59.36 59.41 2dat h GLU 67 Cb 2.04 0.03 -0.16 0.00 0.50 0.00 0.00 28.75 31.16 2dat h GLU 67 CO 0.25 -0.08 -0.21 2.89 -2.18 0.00 0.00 179.01 179.68 2dat n ARG 68 N -3.08 -0.07 -0.29 1.92 1.85 -0.85 0.13 116.66 116.26 2dat n ARG 68 Ca -0.01 1.29 0.09 0.00 -1.00 0.00 0.00 57.85 58.22 2dat n ARG 68 Cb 0.08 -1.93 0.22 0.00 -1.05 0.00 0.00 32.46 29.77 2dat n ARG 68 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 2dat h ILE 69 N 0.00 0.27 0.00 8.89 2.04 -1.52 1.32 117.51 128.52 2dat h ILE 69 Ca 0.40 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 66.20 2dat h ILE 69 Cb 0.61 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.83 2dat h ILE 69 CO -0.85 0.02 -0.08 0.03 0.00 0.00 0.00 178.15 177.26 2dat h ARG 70 N 0.12 0.00 -0.61 2.37 3.08 0.12 -2.71 114.38 116.74 2dat h ARG 70 Ca 0.49 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.45 2dat h ARG 70 Cb 0.93 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.93 2dat h ARG 70 CO -0.71 0.08 0.11 0.09 -1.07 0.00 0.00 179.97 178.47 2dat n ASN 71 N -3.19 5.14 -3.84 7.04 3.02 0.43 -4.93 115.26 118.94 2dat n ASN 71 Ca 0.01 -3.08 -0.30 0.00 -0.03 0.00 0.00 54.58 51.17 2dat n ASN 71 Cb 0.38 -0.70 -0.06 0.00 -0.61 0.00 0.00 39.78 38.79 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 0.15 -0.90 -0.06 3.10 8.25 0.00 -4.78 115.22 120.98 2dat n HIS 72 Ca 0.33 0.51 -0.17 0.00 -0.26 0.00 0.00 57.72 58.13 2dat n HIS 72 Cb 1.25 -1.60 -0.13 0.00 1.12 0.00 0.00 29.99 30.63 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 -0.78 0.05 -6.36 -0.41 1.79 -1.70 -3.45 116.57 105.72 2dat h LYS 73 Ca -0.47 -0.09 -0.51 0.00 -2.18 0.00 0.00 60.65 57.40 2dat h LYS 73 Cb 1.06 0.03 0.24 0.00 -1.58 0.00 0.00 32.23 31.98 2dat h LYS 73 CO 0.65 1.04 -1.54 0.66 -1.08 0.00 0.00 179.45 179.18 2dat n TYR 74 N -4.47 -2.49 -0.04 -1.35 4.01 -1.26 -4.96 117.16 106.60 2dat n TYR 74 Ca -0.16 0.23 -0.04 0.00 -0.16 0.00 0.00 57.90 57.77 2dat n TYR 74 Cb 0.59 -1.54 -0.05 0.00 -0.31 0.00 0.00 39.34 38.03 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 0.34 2.19 -3.73 -0.72 1.74 -1.26 -5.00 116.66 110.23 2dat n ARG 75 Ca 0.01 0.01 -0.04 0.00 -0.77 0.00 0.00 57.85 57.06 2dat n ARG 75 Cb 0.61 -1.19 -0.01 0.00 -1.02 0.00 0.00 32.46 30.85 2dat n ARG 75 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2dat s SER 76 N -4.14 -0.20 0.08 0.55 0.15 -1.26 -5.06 113.70 103.82 2dat s SER 76 Ca -0.06 -0.38 -0.34 0.00 0.70 0.00 0.00 55.95 55.88 2dat s SER 76 Cb 0.02 0.49 -0.16 0.00 -1.71 0.00 0.00 66.02 64.66 2dat s SER 76 CO 0.28 -0.90 1.60 0.25 1.20 0.00 0.00 173.24 175.67 2dat h LEU 77 N 2.00 -1.06 -1.74 3.45 5.85 -1.98 -2.07 115.31 119.76 2dat h LEU 77 Ca -0.24 0.07 0.51 0.00 0.84 0.00 0.00 57.88 59.07 2dat h LEU 77 Cb 1.23 0.33 -0.08 0.00 0.37 0.00 0.00 40.66 42.51 2dat h LEU 77 CO 0.26 -0.60 1.24 0.61 -0.34 0.00 0.00 178.44 179.61 2dat n GLY 78 N -1.52 -0.89 0.13 3.75 0.00 -1.26 0.16 105.19 105.56 2dat n GLY 78 Ca -0.12 0.64 -0.13 0.00 0.00 0.00 0.00 46.02 46.41 2dat n GLY 78 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2dat h ASP 79 N 0.00 0.37 -0.94 1.61 3.32 -1.79 -3.06 116.42 115.93 2dat h ASP 79 Ca 0.85 -0.50 0.25 0.00 0.02 0.00 0.00 57.03 57.66 2dat h ASP 79 Cb 3.34 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 42.73 2dat h ASP 79 CO -0.07 0.79 0.65 0.25 -1.72 0.00 0.00 179.24 179.14 2dat h LEU 80 N -0.05 0.19 0.42 1.55 5.85 0.16 -1.41 115.31 122.01 2dat h LEU 80 Ca 0.02 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 2dat h LEU 80 Cb 0.69 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.72 2dat h LEU 80 CO 0.04 0.06 -0.20 -0.08 -0.34 0.00 0.00 178.44 177.91 2dat h GLU 81 N 0.18 -0.55 -0.52 1.25 4.81 -1.42 -2.46 114.58 115.86 2dat h GLU 81 Ca 0.47 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.79 2dat h GLU 81 Cb 1.56 0.12 -0.06 0.00 0.63 0.00 0.00 28.75 31.01 2dat h GLU 81 CO -0.10 -0.25 -0.31 1.63 -0.73 0.00 0.00 179.01 179.25 2dat n LYS 82 N -5.23 -0.23 0.30 1.92 5.02 -0.53 -0.29 118.16 119.11 2dat n LYS 82 Ca -0.10 1.07 -0.17 0.00 -2.02 0.00 0.00 58.31 57.08 2dat n LYS 82 Cb 0.29 -1.58 -0.09 0.00 -0.02 0.00 0.00 35.03 33.63 2dat n LYS 82 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 2dat h ASP 83 N 0.00 -1.26 -0.95 4.39 2.03 -1.61 -0.95 116.42 118.07 2dat h ASP 83 Ca 0.08 0.09 0.17 0.00 -0.73 0.00 0.00 57.03 56.65 2dat h ASP 83 Cb 0.21 0.41 -0.17 0.00 -0.83 0.00 0.00 39.33 38.95 2dat h ASP 83 CO -0.49 -0.63 -0.28 0.52 -1.03 0.00 0.00 179.24 177.32 2dat n VAL 84 N -5.27 -0.43 -0.09 4.15 0.31 -0.36 0.17 118.33 116.81 2dat n VAL 84 Ca -0.12 2.19 -0.02 0.00 -0.01 0.00 0.00 64.34 66.38 2dat n VAL 84 Cb 0.43 -2.98 0.23 0.00 -0.91 0.00 0.00 33.84 30.62 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 0.73 0.61 5.55 2.86 -0.36 -3.08 114.93 121.24 2dat h MET 85 Ca 0.41 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.88 2dat h MET 85 Cb 0.65 -0.11 0.01 0.00 0.06 0.00 0.00 31.60 32.20 2dat h MET 85 CO -0.96 0.67 -0.29 1.25 1.06 0.00 0.00 176.91 178.64 2dat h LEU 86 N 0.71 -0.70 -0.87 1.22 5.85 0.32 -1.93 115.31 119.92 2dat h LEU 86 Ca 0.16 0.02 0.29 0.00 0.84 0.00 0.00 57.88 59.19 2dat h LEU 86 Cb 0.28 0.18 -0.16 0.00 0.37 0.00 0.00 40.66 41.33 2dat h LEU 86 CO -0.00 -0.30 0.19 -0.11 -0.34 0.00 0.00 178.44 177.89 2dat n LEU 87 N -5.32 0.06 -0.05 2.25 0.00 0.10 0.14 117.00 114.18 2dat n LEU 87 Ca -0.10 1.46 -0.15 0.00 0.00 0.00 0.00 56.01 57.22 2dat n LEU 87 Cb 0.32 -0.60 -0.07 0.00 0.00 0.00 0.00 43.42 43.07 2dat n LEU 87 CO 0.25 -1.54 0.46 0.00 0.00 0.00 0.00 177.39 176.56 2dat h HIS 89 N 0.16 -0.84 -0.86 0.00 -0.00 0.21 -2.51 115.15 111.31 2dat h HIS 89 Ca -0.00 -0.01 0.33 0.00 -0.00 0.00 0.00 60.37 60.69 2dat h HIS 89 Cb 0.98 0.30 -0.16 0.00 -0.00 0.00 0.00 27.41 28.54 2dat h HIS 89 CO 0.10 -0.48 0.35 0.09 -0.00 0.00 0.00 177.93 177.98 2dat n ASN 90 N -5.45 0.19 -0.06 3.26 3.02 0.56 0.16 115.26 116.94 2dat n ASN 90 Ca -0.11 1.44 -0.11 0.00 -0.03 0.00 0.00 54.58 55.77 2dat n ASN 90 Cb 0.35 -0.65 -0.04 0.00 -0.61 0.00 0.00 39.78 38.82 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 1.72 0.27 0.00 5.41 0.00 -1.53 -1.64 119.26 123.49 2dat h ALA 91 Ca 0.68 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.47 2dat h ALA 91 Cb 1.71 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2dat h ALA 91 CO -0.70 -0.13 0.07 1.04 0.00 0.00 0.00 179.25 179.53 2dat n GLN 92 N -4.81 0.10 -0.08 0.00 6.02 0.41 0.10 117.38 119.13 2dat n GLN 92 Ca -0.04 0.59 -0.13 0.00 -0.01 0.00 0.00 57.00 57.41 2dat n GLN 92 Cb 0.13 -1.91 -0.14 0.00 1.02 0.00 0.00 30.24 29.34 2dat n GLN 92 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2dat n THR 93 N -2.07 1.51 -0.09 5.09 -1.04 -0.76 -4.68 114.28 112.25 2dat n THR 93 Ca -0.01 -0.74 -0.11 0.00 -2.04 0.00 0.00 64.05 61.14 2dat n THR 93 Cb 0.10 -0.99 -0.05 0.00 -1.82 0.00 0.00 70.33 67.57 2dat n THR 93 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 2dat n PHE 94 N -3.04 0.66 -1.95 -1.42 7.35 -0.19 -4.93 117.46 113.94 2dat n PHE 94 Ca -0.33 0.29 -0.41 0.00 -0.76 0.00 0.00 57.45 56.23 2dat n PHE 94 Cb 1.08 -0.80 -0.02 0.00 0.35 0.00 0.00 39.48 40.09 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 -6.16 6.58 0.65 -2.13 0.01 0.28 -4.95 114.94 109.23 2dat s ASN 95 Ca -0.23 2.76 -0.18 0.00 -0.71 0.00 0.00 52.86 54.51 2dat s ASN 95 Cb 0.04 -2.63 -0.01 0.00 0.41 0.00 0.00 41.25 39.06 2dat s ASN 95 CO 0.36 -0.74 1.16 -0.11 -1.51 0.00 0.00 177.10 176.26 2dat n LEU 96 N 1.99 5.04 -4.53 0.60 -0.00 -1.26 -4.63 117.00 114.21 2dat n LEU 96 Ca 0.06 0.79 -0.30 0.00 -0.00 0.00 0.00 56.01 56.56 2dat n LEU 96 Cb 0.40 -1.49 0.24 0.00 -0.00 0.00 0.00 43.42 42.57 2dat n LEU 96 CO 0.61 -1.40 0.56 -1.61 -0.00 0.00 0.00 177.39 175.56 2dat s GLU 97 N -3.24 -1.32 0.00 1.96 2.02 -1.26 -3.30 118.70 113.56 2dat s GLU 97 Ca 0.80 0.17 0.00 0.00 0.02 0.00 0.00 54.97 55.96 2dat s GLU 97 Cb -0.38 -1.56 0.00 0.00 0.10 0.00 0.00 34.13 32.29 2dat s GLU 97 CO 0.43 -3.83 0.00 0.41 0.02 0.00 0.00 175.26 172.30 2dat n GLY 98 N -0.25 -0.34 4.02 -1.39 0.00 -1.26 -4.84 105.19 101.13 2dat n GLY 98 Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.51 5.28 0.02 1.61 0.15 -1.21 -4.98 113.70 113.06 2dat s SER 99 Ca 0.00 -0.71 -0.24 0.00 0.70 0.00 0.00 55.95 55.69 2dat s SER 99 Cb 0.00 -0.03 -0.18 0.00 -1.71 0.00 0.00 66.02 64.10 2dat s SER 99 CO 0.00 -1.13 1.45 -0.61 1.20 0.00 0.00 173.24 174.15 2dat h GLN 100 N 0.36 0.03 0.49 5.44 5.75 -1.88 -2.61 115.11 122.68 2dat h GLN 100 Ca -0.34 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.13 2dat h GLN 100 Cb 1.29 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.84 2dat h GLN 100 CO 0.43 0.32 -0.23 0.82 -2.65 0.00 0.00 178.83 177.52 2dat h ILE 101 N -0.27 0.00 -0.96 2.39 2.04 -1.96 -2.12 117.51 116.63 2dat h ILE 101 Ca 0.00 -0.30 0.31 0.00 1.00 0.00 0.00 64.86 65.87 2dat h ILE 101 Cb 0.31 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.21 2dat h ILE 101 CO 0.00 0.00 0.17 0.00 0.00 0.00 0.00 178.15 178.32 2dat n TYR 102 N -4.59 0.77 -0.06 1.37 4.19 -1.25 0.20 117.16 117.78 2dat n TYR 102 Ca -0.08 1.15 -0.08 0.00 3.31 0.00 0.00 57.90 62.20 2dat n TYR 102 Cb 0.26 -1.32 0.09 0.00 0.49 0.00 0.00 39.34 38.86 2dat n TYR 102 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 2dat h GLU 103 N 0.00 0.71 -0.98 2.98 5.08 -1.47 -3.01 114.58 117.88 2dat h GLU 103 Ca 0.65 -0.32 0.07 0.00 -1.00 0.00 0.00 59.36 58.77 2dat h GLU 103 Cb 1.49 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.65 2dat h GLU 103 CO -0.86 0.92 0.63 0.38 -1.00 0.00 0.00 179.01 179.09 2dat h ASP 104 N 0.60 0.99 -0.82 1.42 3.04 0.30 -1.37 116.42 120.58 2dat h ASP 104 Ca 0.07 0.02 0.03 0.00 -3.24 0.00 0.00 57.03 53.91 2dat h ASP 104 Cb 0.82 -0.19 -0.05 0.00 -1.04 0.00 0.00 39.33 38.87 2dat h ASP 104 CO 0.07 0.62 0.54 0.77 -2.04 0.00 0.00 179.24 179.20 2dat h SER 105 N 1.12 0.89 0.15 4.15 4.64 -1.21 -0.45 113.55 122.84 2dat h SER 105 Ca 0.43 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.73 2dat h SER 105 Cb 0.22 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2dat h SER 105 CO -0.19 0.62 -0.04 0.40 -0.87 0.00 0.00 176.83 176.75 2dat h ILE 106 N 1.04 0.48 0.00 0.95 5.03 -1.28 -3.01 117.51 120.71 2dat h ILE 106 Ca 0.32 -0.20 0.00 0.00 -0.12 0.00 0.00 64.86 64.86 2dat h ILE 106 Cb -0.00 1.13 0.00 0.00 -3.03 0.00 0.00 36.82 34.92 2dat h ILE 106 CO -0.09 0.04 -0.14 0.58 -0.68 0.00 0.00 178.15 177.86 2dat h VAL 107 N 0.00 0.00 -0.77 1.67 2.07 -1.03 -3.30 116.25 114.89 2dat h VAL 107 Ca -0.00 -0.80 0.27 0.00 0.82 0.00 0.00 66.70 66.99 2dat h VAL 107 Cb 0.13 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.76 2dat h VAL 107 CO 0.01 0.00 0.23 0.18 0.02 0.00 0.00 177.57 178.00 2dat n LEU 108 N -4.21 0.10 0.16 2.57 4.77 -0.85 0.13 117.00 119.67 2dat n LEU 108 Ca -0.02 1.30 -0.14 0.00 -0.03 0.00 0.00 56.01 57.11 2dat n LEU 108 Cb 0.07 -0.56 -0.08 0.00 -2.33 0.00 0.00 43.42 40.53 2dat n LEU 108 CO 0.03 -1.39 0.77 1.56 -1.33 0.00 0.00 177.39 177.03 2dat h GLN 109 N 0.00 -0.32 -0.79 3.23 4.20 -1.68 -0.79 115.11 118.95 2dat h GLN 109 Ca 0.57 0.02 0.22 0.00 0.06 0.00 0.00 58.65 59.52 2dat h GLN 109 Cb 1.37 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 29.19 2dat h GLN 109 CO -0.66 -0.19 0.56 1.03 -0.67 0.00 0.00 178.83 178.91 2dat h SER 110 N -0.38 0.05 0.79 1.46 0.87 0.95 0.26 113.55 117.55 2dat h SER 110 Ca -0.03 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.28 2dat h SER 110 Cb 0.29 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 2dat h SER 110 CO 0.06 0.02 -1.16 0.58 -0.53 0.00 0.00 176.83 175.80 2dat h VAL 111 N 0.05 1.56 0.52 2.23 2.07 -0.80 -3.26 116.25 118.62 2dat h VAL 111 Ca 0.38 -3.21 -0.03 0.00 0.82 0.00 0.00 66.70 64.67 2dat h VAL 111 Cb 1.44 2.88 0.01 0.00 -1.52 0.00 0.00 31.29 34.10 2dat h VAL 111 CO -0.02 0.92 -0.25 0.15 0.02 0.00 0.00 177.57 178.38 2dat h PHE 112 N 0.04 -0.65 -0.83 1.57 3.57 0.91 -0.76 116.94 120.78 2dat h PHE 112 Ca -0.09 -0.02 0.19 0.00 3.53 0.00 0.00 57.97 61.59 2dat h PHE 112 Cb 1.88 0.22 -0.15 0.00 2.79 0.00 0.00 35.95 40.69 2dat h PHE 112 CO 0.03 -0.36 -0.06 0.87 -2.23 0.00 0.00 178.31 176.57 2dat h LYS 113 N -1.13 0.05 -0.42 1.11 6.56 -1.37 0.35 116.57 121.72 2dat h LYS 113 Ca -0.07 -0.00 -0.13 0.00 -1.06 0.00 0.00 60.65 59.39 2dat h LYS 113 Cb 0.59 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.22 2dat h LYS 113 CO 0.12 0.03 -0.24 1.03 -2.06 0.00 0.00 179.45 178.33 2dat h SER 114 N 0.05 0.90 -0.75 0.86 0.87 -1.60 -3.10 113.55 110.79 2dat h SER 114 Ca 0.45 -0.34 0.16 0.00 -1.23 0.00 0.00 61.79 60.83 2dat h SER 114 Cb 0.79 -0.25 -0.11 0.00 -0.44 0.00 0.00 62.40 62.40 2dat h SER 114 CO -0.78 1.09 0.22 0.00 -0.53 0.00 0.00 176.83 176.83 2dat h ALA 115 N 0.97 1.00 -0.89 6.23 0.00 0.12 0.16 119.26 126.86 2dat h ALA 115 Ca 0.10 0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.27 2dat h ALA 115 Cb 0.79 0.20 -0.13 0.00 0.00 0.00 0.00 17.79 18.65 2dat h ALA 115 CO 0.07 -0.32 -0.51 0.00 0.00 0.00 0.00 179.25 178.49 2dat h ARG 116 N 0.31 -0.07 0.11 0.00 3.08 -1.32 -2.98 114.38 113.51 2dat h ARG 116 Ca 0.42 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.47 2dat h ARG 116 Cb 0.72 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.78 2dat h ARG 116 CO -0.49 -0.04 -0.05 1.96 -1.07 0.00 0.00 179.97 180.28 2dat h GLN 117 N -0.07 -0.14 -6.11 0.04 1.08 -1.53 -3.44 115.11 104.95 2dat h GLN 117 Ca 0.21 0.01 -0.62 0.00 -1.45 0.00 0.00 58.65 56.80 2dat h GLN 117 Cb 0.50 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 2dat h GLN 117 CO -0.89 -0.05 1.32 0.45 -0.95 0.00 0.00 178.83 178.71 2dat n SER 118 N -4.87 3.07 -4.39 1.46 2.88 0.48 -4.95 113.62 107.30 2dat n SER 118 Ca -0.02 0.56 -0.30 0.00 -1.33 0.00 0.00 58.87 57.78 2dat n SER 118 Cb 0.07 -1.41 -0.14 0.00 -0.75 0.00 0.00 64.21 61.99 2dat n SER 118 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dat s GLY 119 N 6.37 1.50 0.00 0.46 0.00 -1.26 -4.57 107.32 109.83 2dat s GLY 119 Ca 1.00 -1.31 0.14 0.00 0.00 0.00 0.00 44.72 44.55 2dat s GLY 119 CO 0.45 -1.22 1.45 -1.55 0.00 0.00 0.00 173.10 172.23 2dat n PRO 120 N 1.45 0.03 -2.64 2.90 -0.04 -1.26 -4.38 135.00 131.05 2dat n PRO 120 Ca -0.17 0.24 -0.43 0.00 -0.04 0.00 0.00 63.50 63.10 2dat n PRO 120 Cb 0.52 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.48 2dat n PRO 120 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dat s SER 121 N -2.95 6.83 0.30 3.54 1.04 -1.26 -4.83 113.70 116.37 2dat s SER 121 Ca 0.08 -2.41 0.01 0.00 0.48 0.00 0.00 55.95 54.11 2dat s SER 121 Cb 0.09 -2.55 0.73 0.00 0.10 0.00 0.00 66.02 64.40 2dat s SER 121 CO 0.26 -1.15 1.53 -1.20 0.98 0.00 0.00 173.24 173.66 2dat n SER 122 N 8.02 -0.12 0.00 7.02 7.64 -1.26 -5.23 113.62 129.69 2dat n SER 122 Ca 0.45 1.66 0.02 0.00 1.01 0.00 0.00 58.87 62.01 2dat n SER 122 Cb 0.46 -0.60 0.14 0.00 -1.01 0.00 0.00 64.21 63.20 2dat n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64