#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 0.27 -3.60 1.61 2.88 -1.26 -5.15 113.62 108.38 2dat n SER 2 Ca 0.00 0.13 -0.06 0.00 -1.33 0.00 0.00 58.87 57.61 2dat n SER 2 Cb 0.00 -0.02 -0.03 0.00 -0.75 0.00 0.00 64.21 63.41 2dat n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dat s SER 3 N -5.27 -0.18 0.00 -3.46 1.04 -1.26 -5.19 113.70 99.38 2dat s SER 3 Ca 0.00 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.55 2dat s SER 3 Cb 0.00 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.29 2dat s SER 3 CO 0.00 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.60 2dat n GLY 4 N 0.30 1.97 2.79 7.32 0.00 -1.26 -5.13 105.19 111.17 2dat n GLY 4 Ca -0.03 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 3.50 -0.28 1.61 0.01 -1.26 -5.10 113.70 112.18 2dat s SER 5 Ca 0.00 -1.17 -0.25 0.00 1.31 0.00 0.00 55.95 55.83 2dat s SER 5 Cb 0.00 -0.83 0.15 0.00 0.21 0.00 0.00 66.02 65.55 2dat s SER 5 CO 0.00 -0.32 1.19 -0.94 0.41 0.00 0.00 173.24 173.58 2dat s SER 6 N 1.66 -0.29 0.96 2.44 1.04 -1.26 -5.17 113.70 113.09 2dat s SER 6 Ca 0.01 0.53 -0.11 0.00 0.48 0.00 0.00 55.95 56.87 2dat s SER 6 Cb -0.18 0.53 0.15 0.00 0.10 0.00 0.00 66.02 66.63 2dat s SER 6 CO -0.13 -0.11 1.05 0.61 0.98 0.00 0.00 173.24 175.64 2dat n GLY 7 N 1.83 -0.75 3.78 7.32 0.00 -1.26 -4.96 105.19 111.15 2dat n GLY 7 Ca -0.11 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.54 5.72 0.05 1.61 1.04 -1.26 -4.98 113.70 113.33 2dat s SER 8 Ca 0.66 2.02 -0.31 0.00 0.48 0.00 0.00 55.95 58.80 2dat s SER 8 Cb -0.23 -2.56 -0.07 0.00 0.10 0.00 0.00 66.02 63.26 2dat s SER 8 CO 0.60 -1.22 1.41 -2.16 0.98 0.00 0.00 173.24 172.85 2dat s PRO 9 N -3.61 4.29 0.57 4.02 0.04 -1.26 -4.96 135.00 134.09 2dat s PRO 9 Ca 0.69 2.02 -0.18 0.00 0.04 0.00 0.00 61.00 63.57 2dat s PRO 9 Cb -0.20 -3.46 -0.13 0.00 0.04 0.00 0.00 34.50 30.74 2dat s PRO 9 CO 0.31 -0.53 -0.04 0.09 0.04 0.00 0.00 177.00 176.87 2dat n ASN 10 N 4.88 -3.29 -4.68 6.66 3.02 -1.26 -4.93 115.26 115.65 2dat n ASN 10 Ca 0.13 0.63 -0.29 0.00 -0.03 0.00 0.00 54.58 55.02 2dat n ASN 10 Cb 0.43 -0.92 0.17 0.00 -0.61 0.00 0.00 39.78 38.86 2dat n ASN 10 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2dat s PRO 11 N -1.36 0.55 0.42 3.52 0.04 -1.26 -4.70 135.00 132.21 2dat s PRO 11 Ca 0.58 0.57 0.29 0.00 0.04 0.00 0.00 61.00 62.49 2dat s PRO 11 Cb -0.45 -1.75 1.23 0.00 0.04 0.00 0.00 34.50 33.57 2dat s PRO 11 CO 0.65 -2.66 1.87 -1.00 0.04 0.00 0.00 177.00 175.90 2dat h PRO 12 N -1.85 0.00 0.06 0.56 0.13 -1.99 -0.17 132.00 128.76 2dat h PRO 12 Ca -0.54 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.30 2dat h PRO 12 Cb 1.32 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.43 2dat h PRO 12 CO 0.57 0.00 -1.58 -0.22 -0.23 0.00 0.00 178.00 176.54 2dat h LYS 13 N 0.00 0.14 0.00 0.86 3.64 -1.99 -3.25 116.57 115.97 2dat h LYS 13 Ca 0.00 -0.23 -0.05 0.00 -1.27 0.00 0.00 60.65 59.10 2dat h LYS 13 Cb 0.43 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 2dat h LYS 13 CO 0.00 0.91 -0.43 1.25 -2.27 0.00 0.00 179.45 178.91 2dat h LEU 14 N 0.04 0.00 -0.44 5.20 7.12 -1.88 -3.25 115.31 122.10 2dat h LEU 14 Ca -0.25 -0.28 0.09 0.00 0.13 0.00 0.00 57.88 57.57 2dat h LEU 14 Cb 1.98 0.00 -0.10 0.00 -0.53 0.00 0.00 40.66 42.02 2dat h LEU 14 CO 0.12 0.88 -0.30 0.74 -0.13 0.00 0.00 178.44 179.75 2dat h THR 15 N -1.00 0.26 -0.59 1.05 2.02 -1.24 -0.70 112.91 112.71 2dat h THR 15 Ca -0.07 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.21 2dat h THR 15 Cb 0.61 0.26 -0.08 0.00 -1.74 0.00 0.00 68.15 67.20 2dat h THR 15 CO -0.04 0.00 0.17 0.11 0.37 0.00 0.00 175.52 176.12 2dat h LYS 16 N -0.21 0.30 -0.80 6.66 1.79 -1.75 -2.66 116.57 119.91 2dat h LYS 16 Ca 0.19 -0.02 0.07 0.00 -2.18 0.00 0.00 60.65 58.72 2dat h LYS 16 Cb 0.52 -0.07 -0.10 0.00 -1.58 0.00 0.00 32.23 31.01 2dat h LYS 16 CO -0.55 0.20 -0.47 0.94 -1.08 0.00 0.00 179.45 178.49 2dat n GLN 17 N -5.07 -0.35 -0.16 3.15 7.27 -0.27 -0.01 117.38 121.93 2dat n GLN 17 Ca 0.08 1.29 -0.04 0.00 0.07 0.00 0.00 57.00 58.40 2dat n GLN 17 Cb 0.30 -1.90 0.02 0.00 2.41 0.00 0.00 30.24 31.07 2dat n GLN 17 CO 0.00 0.00 0.00 0.52 0.07 0.00 0.00 177.06 177.65 2dat h MET 18 N 0.00 -0.12 0.53 3.69 2.86 -1.45 -1.80 114.93 118.64 2dat h MET 18 Ca 0.13 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 2dat h MET 18 Cb 0.33 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 2dat h MET 18 CO -0.75 -0.08 -0.42 -0.91 1.06 0.00 0.00 176.91 175.82 2dat h ASN 19 N -0.12 -1.09 -0.97 1.22 2.35 -0.42 -1.57 115.58 114.97 2dat h ASN 19 Ca 0.23 0.08 0.29 0.00 -0.55 0.00 0.00 56.30 56.35 2dat h ASN 19 Cb 0.49 0.35 -0.18 0.00 0.05 0.00 0.00 38.32 39.03 2dat h ASN 19 CO -0.58 -0.60 0.15 0.00 -1.65 0.00 0.00 177.43 174.74 2dat h ALA 20 N -0.64 1.35 -0.68 -0.83 0.00 0.08 0.48 119.26 119.01 2dat h ALA 20 Ca -0.06 0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2dat h ALA 20 Cb 0.79 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2dat h ALA 20 CO 0.00 -0.62 0.00 -0.89 0.00 0.00 0.00 179.25 177.75 2dat n ILE 21 N -5.41 0.00 -0.23 0.00 5.41 -0.73 -3.11 119.36 115.29 2dat n ILE 21 Ca 0.25 1.04 -0.11 0.00 1.00 0.00 0.00 62.75 64.94 2dat n ILE 21 Cb 0.83 -1.96 -0.07 0.00 -0.71 0.00 0.00 39.64 37.73 2dat n ILE 21 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2dat h ILE 22 N 0.00 0.03 -0.73 1.39 1.08 -0.83 -0.66 117.51 117.79 2dat h ILE 22 Ca 0.00 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.58 2dat h ILE 22 Cb 0.00 0.03 -0.11 0.00 -3.07 0.00 0.00 36.82 33.67 2dat h ILE 22 CO 0.00 0.00 -0.31 0.47 -0.69 0.00 0.00 178.15 177.62 2dat n ASP 23 N -5.37 -0.52 0.25 1.72 8.00 0.16 0.02 116.55 120.81 2dat n ASP 23 Ca -0.00 1.28 -0.15 0.00 0.71 0.00 0.00 54.79 56.63 2dat n ASP 23 Cb 0.33 -0.27 -0.08 0.00 -0.02 0.00 0.00 41.12 41.08 2dat n ASP 23 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2dat h THR 24 N 0.00 0.53 -0.25 -3.53 2.02 -1.10 0.22 112.91 110.80 2dat h THR 24 Ca 0.23 -0.28 0.04 0.00 0.77 0.00 0.00 66.41 67.17 2dat h THR 24 Cb 0.42 0.65 -0.07 0.00 -1.74 0.00 0.00 68.15 67.41 2dat h THR 24 CO -0.72 0.05 -0.54 0.58 0.37 0.00 0.00 175.52 175.26 2dat h VAL 25 N -0.78 0.01 -0.74 3.16 2.07 0.45 0.51 116.25 120.93 2dat h VAL 25 Ca -0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 2dat h VAL 25 Cb 0.55 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 2dat h VAL 25 CO 0.10 0.00 0.42 0.40 0.02 0.00 0.00 177.57 178.52 2dat h ILE 26 N -0.50 1.22 -1.01 4.57 2.04 -0.44 -2.61 117.51 120.78 2dat h ILE 26 Ca 0.06 -0.53 -0.60 0.00 1.00 0.00 0.00 64.86 64.79 2dat h ILE 26 Cb 0.64 0.22 -0.24 0.00 -0.74 0.00 0.00 36.82 36.70 2dat h ILE 26 CO -0.50 0.24 0.76 0.59 0.00 0.00 0.00 178.15 179.24 2dat n ASN 27 N -4.48 7.32 -4.79 1.72 3.02 0.77 -4.59 115.26 114.23 2dat n ASN 27 Ca 0.07 -3.59 -0.34 0.00 -0.03 0.00 0.00 54.58 50.69 2dat n ASN 27 Cb 0.08 -1.03 -0.07 0.00 -0.61 0.00 0.00 39.78 38.15 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 -3.25 3.34 -0.13 3.10 6.14 0.17 -4.79 117.35 121.93 2dat s TYR 28 Ca 0.55 0.27 -0.05 0.00 0.64 0.00 0.00 57.07 58.48 2dat s TYR 28 Cb 0.43 -1.79 -0.04 0.00 0.42 0.00 0.00 41.96 40.99 2dat s TYR 28 CO -0.08 0.58 0.06 -1.59 0.64 0.00 0.00 175.55 175.15 2dat s LYS 29 N -1.51 3.46 -0.15 4.97 -2.85 -1.26 -4.26 119.74 118.14 2dat s LYS 29 Ca 0.20 -0.32 0.05 0.00 -1.00 0.00 0.00 55.97 54.91 2dat s LYS 29 Cb -0.12 -3.04 -0.13 0.00 -2.06 0.00 0.00 37.83 32.48 2dat s LYS 29 CO 0.11 0.56 -0.08 -0.40 0.10 0.00 0.00 175.35 175.64 2dat n ASP 30 N 2.62 2.33 0.00 0.03 5.75 -1.26 -4.92 116.55 121.10 2dat n ASP 30 Ca -0.18 -0.06 0.00 0.00 -0.01 0.00 0.00 54.79 54.54 2dat n ASP 30 Cb 0.53 0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.77 2dat n ASP 30 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 2dat n SER 31 N -2.80 0.00 -0.00 -1.12 2.88 -1.26 -5.01 113.62 106.30 2dat n SER 31 Ca -0.27 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.27 2dat n SER 31 Cb 0.86 -0.15 -0.00 0.00 -0.75 0.00 0.00 64.21 64.17 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 -2.08 0.92 0.00 -3.46 7.64 -1.26 -5.04 113.62 110.34 2dat n SER 32 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2dat n SER 32 Cb 0.00 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 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 3.10 0.19 3.47 0.23 0.00 -1.26 -4.96 105.19 105.96 2dat n GLY 33 Ca -0.00 -0.12 -0.53 0.00 0.00 0.00 0.00 46.02 45.37 2dat n GLY 33 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2dat n ARG 34 N -1.28 0.19 -3.33 1.61 3.00 -1.26 -4.38 116.66 111.21 2dat n ARG 34 Ca 0.00 0.07 -0.38 0.00 -0.00 0.00 0.00 57.85 57.54 2dat n ARG 34 Cb 0.00 -1.37 -0.07 0.00 0.00 0.00 0.00 32.46 31.02 2dat n ARG 34 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 2dat s GLN 35 N -0.47 4.26 0.58 -0.14 -2.07 -1.26 -4.08 119.66 116.48 2dat s GLN 35 Ca 0.77 0.35 0.35 0.00 -1.82 0.00 0.00 55.36 55.01 2dat s GLN 35 Cb -1.07 -3.49 1.77 0.00 -1.09 0.00 0.00 33.01 29.13 2dat s GLN 35 CO 0.56 0.04 2.16 -0.07 -1.32 0.00 0.00 175.29 176.66 2dat h LEU 36 N 7.24 0.00 0.00 2.60 4.07 -1.86 -2.03 115.31 125.33 2dat h LEU 36 Ca -0.38 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.58 2dat h LEU 36 Cb 1.17 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.91 2dat h LEU 36 CO 0.74 0.04 0.00 -1.54 -1.08 0.00 0.00 178.44 176.61 2dat n SER 37 N -3.32 0.00 -0.26 -0.43 3.41 -1.26 -2.64 113.62 109.11 2dat n SER 37 Ca -0.02 0.45 0.06 0.00 -0.26 0.00 0.00 58.87 59.10 2dat n SER 37 Cb 0.19 -0.46 0.20 0.00 -0.26 0.00 0.00 64.21 63.88 2dat n SER 37 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2dat h GLU 38 N 0.00 0.45 -0.00 4.33 5.08 -1.72 0.66 114.58 123.38 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 0.03 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2dat h GLU 38 CO 0.00 0.30 -0.01 1.33 -1.00 0.00 0.00 179.01 179.63 2dat n VAL 39 N -4.99 0.00 0.17 3.13 0.24 -1.08 -3.15 118.33 112.65 2dat n VAL 39 Ca 0.15 -0.08 0.04 0.00 -2.04 0.00 0.00 64.34 62.41 2dat n VAL 39 Cb 0.43 -0.17 0.06 0.00 -1.47 0.00 0.00 33.84 32.68 2dat n VAL 39 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2dat n PHE 40 N -0.67 0.11 0.00 6.34 3.01 0.20 -4.77 117.46 121.68 2dat n PHE 40 Ca 0.21 -0.17 0.00 0.00 1.01 0.00 0.00 57.45 58.50 2dat n PHE 40 Cb 0.20 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.66 2dat n PHE 40 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2dat n ILE 41 N 0.35 0.00 -3.73 4.37 2.08 0.63 -2.80 119.36 120.25 2dat n ILE 41 Ca 0.06 0.55 -0.36 0.00 0.56 0.00 0.00 62.75 63.56 2dat n ILE 41 Cb 0.25 -1.23 -0.07 0.00 -0.75 0.00 0.00 39.64 37.84 2dat n ILE 41 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 2dat s GLN 42 N -0.98 4.06 0.36 0.38 -0.21 -1.26 -3.97 119.66 118.03 2dat s GLN 42 Ca 0.00 -0.15 -0.04 0.00 0.02 0.00 0.00 55.36 55.19 2dat s GLN 42 Cb 0.00 -3.38 -0.04 0.00 1.00 0.00 0.00 33.01 30.59 2dat s GLN 42 CO 0.00 0.38 0.62 -0.51 -2.12 0.00 0.00 175.29 173.67 2dat s LEU 43 N 0.10 3.93 0.05 2.90 1.43 -1.26 -4.99 118.68 120.83 2dat s LEU 43 Ca 0.11 0.72 -0.31 0.00 -1.03 0.00 0.00 54.13 53.62 2dat s LEU 43 Cb -0.12 -3.58 -0.07 0.00 0.03 0.00 0.00 46.19 42.46 2dat s LEU 43 CO 0.00 -0.33 1.41 -2.16 0.23 0.00 0.00 176.35 175.50 2dat s PRO 44 N -4.07 4.29 0.91 1.29 0.04 -1.26 -4.99 135.00 131.21 2dat s PRO 44 Ca 0.44 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 63.40 2dat s PRO 44 Cb -0.10 -3.46 0.12 0.00 0.04 0.00 0.00 34.50 31.10 2dat s PRO 44 CO 0.35 -0.53 1.04 0.45 0.04 0.00 0.00 177.00 178.36 2dat n SER 45 N 4.86 0.08 -0.04 6.66 2.88 -1.26 -4.72 113.62 122.07 2dat n SER 45 Ca 0.13 0.43 -0.12 0.00 -1.33 0.00 0.00 58.87 57.98 2dat n SER 45 Cb 0.43 -1.44 -0.07 0.00 -0.75 0.00 0.00 64.21 62.38 2dat n SER 45 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2dat h ARG 46 N -1.69 0.21 -0.85 -1.46 2.43 -1.95 0.40 114.38 111.48 2dat h ARG 46 Ca -0.44 -0.07 0.08 0.00 -0.81 0.00 0.00 59.98 58.75 2dat h ARG 46 Cb 1.28 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.74 2dat h ARG 46 CO 0.41 0.46 0.51 -0.22 -1.51 0.00 0.00 179.97 179.61 2dat h LYS 47 N -0.06 0.86 0.31 0.20 3.11 -1.97 0.37 116.57 119.38 2dat h LYS 47 Ca 0.03 -0.05 -0.02 0.00 -2.81 0.00 0.00 60.65 57.81 2dat h LYS 47 Cb 0.36 -0.19 0.00 0.00 -1.00 0.00 0.00 32.23 31.40 2dat h LYS 47 CO 0.01 0.57 -0.15 0.93 -2.81 0.00 0.00 179.45 177.99 2dat h GLU 48 N 0.88 -0.40 -2.62 1.90 5.08 -1.90 -3.41 114.58 114.11 2dat h GLU 48 Ca 0.39 0.03 -0.60 0.00 -1.00 0.00 0.00 59.36 58.18 2dat h GLU 48 Cb 0.28 0.09 -0.39 0.00 0.50 0.00 0.00 28.75 29.22 2dat h GLU 48 CO -0.21 -0.09 -0.84 -1.17 -1.00 0.00 0.00 179.01 175.70 2dat s LEU 49 N -9.17 2.50 0.25 1.33 2.96 0.12 -4.95 118.68 111.73 2dat s LEU 49 Ca -0.11 -3.26 0.03 0.00 -0.22 0.00 0.00 54.13 50.56 2dat s LEU 49 Cb 0.01 -0.83 0.32 0.00 0.50 0.00 0.00 46.19 46.18 2dat s LEU 49 CO 0.40 -0.15 1.63 1.55 -1.32 0.00 0.00 176.35 178.46 2dat h PRO 50 N 5.66 0.37 -1.00 0.98 0.13 -0.43 -3.10 132.00 134.61 2dat h PRO 50 Ca 0.21 -0.20 0.24 0.00 -0.87 0.00 0.00 66.00 65.39 2dat h PRO 50 Cb 0.86 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 31.91 2dat h PRO 50 CO 0.48 0.75 0.65 1.05 -0.23 0.00 0.00 178.00 180.70 2dat h GLU 51 N 0.30 0.43 -0.75 0.86 4.11 -1.93 0.28 114.58 117.88 2dat h GLU 51 Ca 0.02 -0.03 0.02 0.00 0.07 0.00 0.00 59.36 59.44 2dat h GLU 51 Cb 0.91 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.03 2dat h GLU 51 CO 0.08 0.28 0.50 -0.92 0.07 0.00 0.00 179.01 179.02 2dat h TYR 52 N 0.44 0.92 0.00 2.06 3.20 -1.93 -0.13 116.97 121.53 2dat h TYR 52 Ca 0.56 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.45 2dat h TYR 52 Cb 1.35 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.31 2dat h TYR 52 CO -0.00 0.56 0.00 1.88 -1.64 0.00 0.00 178.16 178.96 2dat h TYR 53 N 0.98 0.00 0.11 -3.82 -1.99 -0.61 -1.53 116.97 110.11 2dat h TYR 53 Ca 0.29 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 61.01 2dat h TYR 53 Cb -0.05 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.68 2dat h TYR 53 CO -0.00 0.00 -0.05 0.93 -0.00 0.00 0.00 178.16 179.04 2dat h GLU 54 N 0.00 -0.15 -0.04 4.88 5.08 -0.72 -3.37 114.58 120.27 2dat h GLU 54 Ca 0.00 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 2dat h GLU 54 Cb 0.60 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2dat h GLU 54 CO 0.00 0.33 -0.24 1.37 -1.00 0.00 0.00 179.01 179.47 2dat h LEU 55 N -0.88 0.27-10.20 1.33 -0.00 -1.54 -3.45 115.31 100.84 2dat h LEU 55 Ca -0.02 -0.68 -0.51 0.00 -0.00 0.00 0.00 57.88 56.67 2dat h LEU 55 Cb 0.55 -0.08 0.12 0.00 -0.00 0.00 0.00 40.66 41.24 2dat h LEU 55 CO 0.03 0.91 0.37 -0.63 -0.00 0.00 0.00 178.44 179.12 2dat s ILE 56 N -3.51 2.98 -0.09 0.15 -1.09 -0.58 -4.99 121.20 114.07 2dat s ILE 56 Ca -0.15 0.46 -0.02 0.00 -2.23 0.00 0.00 60.65 58.70 2dat s ILE 56 Cb 0.02 -2.97 -0.05 0.00 -1.58 0.00 0.00 42.46 37.88 2dat s ILE 56 CO 0.75 -0.28 -0.10 -2.11 -1.23 0.00 0.00 174.94 171.96 2dat n ARG 57 N -2.57 0.21 -3.73 2.79 0.00 -1.26 -4.76 116.66 107.35 2dat n ARG 57 Ca 0.11 0.07 -0.28 0.00 -0.00 0.00 0.00 57.85 57.75 2dat n ARG 57 Cb 0.52 -1.00 -0.12 0.00 -0.00 0.00 0.00 32.46 31.86 2dat n ARG 57 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2dat s LYS 58 N -2.18 1.83 -1.10 2.89 1.02 -1.26 -5.05 119.74 115.90 2dat s LYS 58 Ca -0.13 -2.79 -0.23 0.00 0.02 0.00 0.00 55.97 52.84 2dat s LYS 58 Cb 0.04 -2.68 -0.08 0.00 -0.52 0.00 0.00 37.83 34.59 2dat s LYS 58 CO 0.18 -1.29 1.94 -1.25 -0.92 0.00 0.00 175.35 174.01 2dat s PRO 59 N -0.74 2.52 0.24 -1.68 0.04 -1.26 -4.89 135.00 129.23 2dat s PRO 59 Ca 0.26 -0.92 0.05 0.00 0.04 0.00 0.00 61.00 60.43 2dat s PRO 59 Cb -0.05 -5.19 -0.03 0.00 0.04 0.00 0.00 34.50 29.26 2dat s PRO 59 CO -0.15 -3.80 0.32 0.54 0.04 0.00 0.00 177.00 173.95 2dat s VAL 60 N 10.72 5.11 0.25 -0.36 0.11 -1.26 -5.05 120.40 129.92 2dat s VAL 60 Ca 0.69 -1.05 0.01 0.00 -2.93 0.00 0.00 61.98 58.70 2dat s VAL 60 Cb -0.02 -3.77 -0.00 0.00 -1.53 0.00 0.00 36.38 31.05 2dat s VAL 60 CO 0.09 -0.32 0.05 0.47 -3.33 0.00 0.00 175.10 172.06 2dat n ASP 61 N -1.32 1.82 0.16 3.54 8.00 -1.26 -4.71 116.55 122.79 2dat n ASP 61 Ca -0.09 -2.20 0.12 0.00 0.71 0.00 0.00 54.79 53.33 2dat n ASP 61 Cb 0.57 0.40 0.23 0.00 -0.02 0.00 0.00 41.12 42.30 2dat n ASP 61 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2dat h PHE 62 N 1.27 0.00 0.04 1.24 0.04 -1.65 -3.19 116.94 114.70 2dat h PHE 62 Ca -0.20 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.32 2dat h PHE 62 Cb 0.68 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.81 2dat h PHE 62 CO 0.00 0.00 -1.25 0.87 -0.60 0.00 0.00 178.31 177.33 2dat h LYS 63 N 0.00 0.08 -0.05 1.51 1.57 -1.86 -3.33 116.57 114.50 2dat h LYS 63 Ca 0.00 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 2dat h LYS 63 Cb 0.90 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.27 2dat h LYS 63 CO 0.00 0.97 -0.07 0.87 -0.57 0.00 0.00 179.45 180.64 2dat h LYS 64 N 0.02 0.13 -0.78 3.15 1.79 -1.92 -2.38 116.57 116.58 2dat h LYS 64 Ca -0.11 -0.08 0.18 0.00 -2.18 0.00 0.00 60.65 58.46 2dat h LYS 64 Cb 1.88 0.01 -0.13 0.00 -1.58 0.00 0.00 32.23 32.41 2dat h LYS 64 CO 0.14 0.64 0.02 0.82 -1.08 0.00 0.00 179.45 179.99 2dat h ILE 65 N -0.36 0.32 -0.18 1.86 2.04 -1.69 -0.29 117.51 119.22 2dat h ILE 65 Ca 0.00 -0.04 -0.05 0.00 1.00 0.00 0.00 64.86 65.78 2dat h ILE 65 Cb 0.63 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 2dat h ILE 65 CO 0.02 0.02 -0.08 0.11 0.00 0.00 0.00 178.15 178.21 2dat h LYS 66 N 0.11 0.37 -1.34 2.37 1.57 -1.66 -2.96 116.57 115.03 2dat h LYS 66 Ca 0.43 -0.16 0.39 0.00 -1.87 0.00 0.00 60.65 59.44 2dat h LYS 66 Cb 0.78 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.02 2dat h LYS 66 CO -0.68 0.67 1.27 -1.91 -0.57 0.00 0.00 179.45 178.23 2dat n GLU 67 N -4.60 0.01 -0.03 3.15 2.13 -0.13 0.13 120.64 121.29 2dat n GLU 67 Ca -0.05 1.02 -0.21 0.00 0.66 0.00 0.00 57.16 58.58 2dat n GLU 67 Cb 0.31 -2.47 -0.13 0.00 0.27 0.00 0.00 31.44 29.42 2dat n GLU 67 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2dat h ARG 68 N 0.00 0.15 -0.45 5.31 -0.00 -1.36 -3.16 114.38 114.87 2dat h ARG 68 Ca 0.64 -0.26 0.09 0.00 -0.50 0.00 0.00 59.98 59.95 2dat h ARG 68 Cb 3.17 0.10 -0.09 0.00 0.00 0.00 0.00 29.97 33.15 2dat h ARG 68 CO -0.01 1.12 -0.17 0.82 0.00 0.00 0.00 179.97 181.74 2dat h ILE 69 N -0.53 0.44 0.00 2.04 2.04 0.11 0.69 117.51 122.29 2dat h ILE 69 Ca -0.30 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.56 2dat h ILE 69 Cb 1.58 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.10 2dat h ILE 69 CO -0.02 0.00 0.00 0.08 0.00 0.00 0.00 178.15 178.21 2dat h ARG 70 N -0.07 0.00 -0.53 2.37 0.11 -1.56 -2.40 114.38 112.30 2dat h ARG 70 Ca 0.22 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.30 2dat h ARG 70 Cb 0.41 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.49 2dat h ARG 70 CO -0.51 0.00 0.00 0.09 0.10 0.00 0.00 179.97 179.65 2dat n ASN 71 N -3.04 3.56 -4.07 0.08 3.02 0.97 -4.96 115.26 110.82 2dat n ASN 71 Ca 0.01 -1.99 -0.28 0.00 -0.03 0.00 0.00 54.58 52.30 2dat n ASN 71 Cb 0.33 -0.35 -0.04 0.00 -0.61 0.00 0.00 39.78 39.10 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 1.50 -1.52 -0.02 3.10 8.25 0.20 -4.86 115.22 121.88 2dat n HIS 72 Ca 0.21 0.68 -0.03 0.00 -0.26 0.00 0.00 57.72 58.32 2dat n HIS 72 Cb 0.60 -3.41 -0.12 0.00 1.12 0.00 0.00 29.99 28.17 2dat n HIS 72 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2dat n LYS 73 N -4.47 0.64 -2.59 -0.41 4.76 -0.66 -4.84 118.16 110.60 2dat n LYS 73 Ca -0.31 0.13 -0.42 0.00 -2.87 0.00 0.00 58.31 54.85 2dat n LYS 73 Cb 0.69 -1.70 -0.03 0.00 -1.84 0.00 0.00 35.03 32.14 2dat n LYS 73 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2dat s TYR 74 N -2.81 3.59 0.08 2.13 2.02 -1.26 -4.95 117.35 116.15 2dat s TYR 74 Ca -0.06 1.56 -0.11 0.00 -0.37 0.00 0.00 57.07 58.10 2dat s TYR 74 Cb 0.08 -3.24 -0.24 0.00 -0.40 0.00 0.00 41.96 38.17 2dat s TYR 74 CO 0.83 -0.50 1.16 0.00 -1.57 0.00 0.00 175.55 175.48 2dat h ARG 75 N 6.44 0.53 -3.46 -0.62 3.08 -2.00 -3.48 114.38 114.87 2dat h ARG 75 Ca -0.42 -0.69 -0.04 0.00 0.07 0.00 0.00 59.98 58.90 2dat h ARG 75 Cb 1.22 0.22 -0.11 0.00 0.08 0.00 0.00 29.97 31.38 2dat h ARG 75 CO 0.76 1.29 -0.07 -1.12 -1.07 0.00 0.00 179.97 179.77 2dat s SER 76 N -7.30 -0.18 0.24 7.04 0.01 -1.26 -5.05 113.70 107.20 2dat s SER 76 Ca -0.08 -0.58 -0.06 0.00 1.31 0.00 0.00 55.95 56.55 2dat s SER 76 Cb 0.07 0.54 0.33 0.00 0.21 0.00 0.00 66.02 67.17 2dat s SER 76 CO 0.91 -1.00 1.83 0.25 0.41 0.00 0.00 173.24 175.64 2dat h LEU 77 N 2.30 0.74 -1.46 2.44 5.85 -1.93 -1.33 115.31 121.92 2dat h LEU 77 Ca -0.30 0.03 0.25 0.00 0.84 0.00 0.00 57.88 58.70 2dat h LEU 77 Cb 1.25 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 2dat h LEU 77 CO 0.41 0.46 0.95 1.23 -0.34 0.00 0.00 178.44 181.15 2dat h GLY 78 N 0.87 0.00 0.15 3.75 0.00 -2.02 0.11 103.07 105.94 2dat h GLY 78 Ca 0.37 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.69 2dat h GLY 78 CO -0.19 0.00 -0.03 -1.80 0.00 0.00 0.00 176.54 174.52 2dat h ASP 79 N 0.00 -0.06 -0.99 0.19 1.82 -1.66 -3.32 116.42 112.41 2dat h ASP 79 Ca 0.42 -0.55 0.33 0.00 -0.39 0.00 0.00 57.03 56.83 2dat h ASP 79 Cb 2.31 0.02 -0.18 0.00 0.68 0.00 0.00 39.33 42.15 2dat h ASP 79 CO -0.00 0.66 0.21 -0.11 -1.61 0.00 0.00 179.24 178.38 2dat n LEU 80 N -4.76 0.06 0.27 2.28 7.94 0.38 -0.51 117.00 122.66 2dat n LEU 80 Ca -0.07 1.66 -0.17 0.00 -1.11 0.00 0.00 56.01 56.32 2dat n LEU 80 Cb 0.30 -0.68 -0.09 0.00 0.53 0.00 0.00 43.42 43.47 2dat n LEU 80 CO 0.24 -1.75 0.52 -0.08 -1.11 0.00 0.00 177.39 175.21 2dat h GLU 81 N 0.00 -0.90 -0.80 1.96 4.81 -1.63 -1.01 114.58 117.02 2dat h GLU 81 Ca 0.69 0.06 0.32 0.00 -0.13 0.00 0.00 59.36 60.30 2dat h GLU 81 Cb 1.60 0.20 -0.14 0.00 0.63 0.00 0.00 28.75 31.04 2dat h GLU 81 CO -0.86 -0.60 0.39 1.63 -0.73 0.00 0.00 179.01 178.84 2dat n LYS 82 N -5.27 -0.05 0.11 1.92 5.02 0.33 -0.23 118.16 119.99 2dat n LYS 82 Ca -0.11 1.11 -0.06 0.00 -2.02 0.00 0.00 58.31 57.23 2dat n LYS 82 Cb 0.43 -1.97 -0.03 0.00 -0.02 0.00 0.00 35.03 33.44 2dat n LYS 82 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2dat h ASP 83 N 0.00 -0.31 -0.61 4.39 5.19 -1.28 -2.84 116.42 120.96 2dat h ASP 83 Ca 0.66 -0.01 0.08 0.00 -0.62 0.00 0.00 57.03 57.14 2dat h ASP 83 Cb 1.71 0.08 -0.10 0.00 0.18 0.00 0.00 39.33 41.20 2dat h ASP 83 CO -0.63 0.15 -0.49 0.58 -3.12 0.00 0.00 179.24 175.73 2dat h VAL 84 N -1.09 0.05 -0.91 -1.35 2.07 0.70 0.36 116.25 116.07 2dat h VAL 84 Ca -0.04 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.62 2dat h VAL 84 Cb 0.30 0.05 -0.07 0.00 -1.52 0.00 0.00 31.29 30.05 2dat h VAL 84 CO 0.06 0.00 0.58 0.24 0.02 0.00 0.00 177.57 178.48 2dat h MET 85 N -0.23 0.74 0.15 1.57 2.86 -1.05 -2.01 114.93 116.95 2dat h MET 85 Ca 0.15 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 2dat h MET 85 Cb 0.55 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.05 2dat h MET 85 CO -0.71 0.49 -0.07 1.25 1.06 0.00 0.00 176.91 178.92 2dat h LEU 86 N 0.76 -0.18 -1.94 1.22 5.85 -0.14 0.32 115.31 121.20 2dat h LEU 86 Ca 0.46 -0.13 0.24 0.00 0.84 0.00 0.00 57.88 59.29 2dat h LEU 86 Cb 0.66 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 2dat h LEU 86 CO -0.22 0.03 0.61 0.25 -0.34 0.00 0.00 178.44 178.77 2dat h LEU 87 N -0.38 0.05 0.14 2.25 6.46 -0.18 0.20 115.31 123.86 2dat h LEU 87 Ca -0.02 0.01 -0.35 0.00 -0.12 0.00 0.00 57.88 57.40 2dat h LEU 87 Cb 0.30 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.22 2dat h LEU 87 CO 0.03 0.02 -1.80 0.00 -0.62 0.00 0.00 178.44 176.07 2dat h HIS 89 N 0.08 0.88 -0.99 0.00 3.86 0.15 -2.56 115.15 116.57 2dat h HIS 89 Ca -0.35 -0.06 0.20 0.00 -1.16 0.00 0.00 60.37 59.00 2dat h HIS 89 Cb 2.06 -0.27 -0.10 0.00 1.06 0.00 0.00 27.41 30.17 2dat h HIS 89 CO 0.08 0.70 0.62 -0.91 0.86 0.00 0.00 177.93 179.27 2dat h ASN 90 N 0.81 0.67 0.57 2.45 2.35 -0.86 -1.54 115.58 120.04 2dat h ASN 90 Ca 0.20 0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 56.00 2dat h ASN 90 Cb 0.17 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.51 2dat h ASN 90 CO -0.02 0.23 -0.28 0.00 -1.65 0.00 0.00 177.43 175.72 2dat h ALA 91 N 1.63 -0.77 -0.76 -0.83 0.00 -1.61 -2.80 119.26 114.12 2dat h ALA 91 Ca 0.56 -0.18 0.22 0.00 0.00 0.00 0.00 54.91 55.51 2dat h ALA 91 Cb 1.03 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 2dat h ALA 91 CO -0.33 -0.73 0.77 1.96 0.00 0.00 0.00 179.25 180.92 2dat h GLN 92 N -1.18 0.00 -0.00 0.00 4.20 -1.20 0.91 115.11 117.84 2dat h GLN 92 Ca -0.08 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.39 2dat h GLN 92 Cb 0.61 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.40 2dat h GLN 92 CO 0.13 0.00 -0.98 1.15 -0.67 0.00 0.00 178.83 178.46 2dat h THR 93 N 0.00 1.35 0.00 -0.54 2.02 -1.18 -3.39 112.91 111.17 2dat h THR 93 Ca 0.36 -2.35 -0.06 0.00 0.77 0.00 0.00 66.41 65.13 2dat h THR 93 Cb 1.89 2.39 -0.01 0.00 -1.74 0.00 0.00 68.15 70.69 2dat h THR 93 CO -0.00 0.71 -0.74 0.33 0.37 0.00 0.00 175.52 176.19 2dat n PHE 94 N -3.79 0.86 -1.88 3.16 -0.00 0.22 -4.93 117.46 111.10 2dat n PHE 94 Ca -0.08 0.37 -0.40 0.00 -0.00 0.00 0.00 57.45 57.34 2dat n PHE 94 Cb 0.85 -0.82 0.01 0.00 -0.00 0.00 0.00 39.48 39.52 2dat n PHE 94 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.76 175.96 2dat s ASN 95 N -6.01 5.95 1.02 -2.13 0.01 0.25 -4.98 114.94 109.05 2dat s ASN 95 Ca -0.19 2.82 -0.12 0.00 -0.71 0.00 0.00 52.86 54.66 2dat s ASN 95 Cb 0.03 -2.65 0.20 0.00 0.41 0.00 0.00 41.25 39.24 2dat s ASN 95 CO 0.31 -1.12 1.08 -0.76 -1.51 0.00 0.00 177.10 175.10 2dat s LEU 96 N -2.71 1.73 0.81 0.60 2.01 -1.26 -4.62 118.68 115.24 2dat s LEU 96 Ca 0.61 1.59 -0.11 0.00 0.01 0.00 0.00 54.13 56.23 2dat s LEU 96 Cb -0.42 -3.78 0.08 0.00 0.01 0.00 0.00 46.19 42.09 2dat s LEU 96 CO 0.53 -3.39 1.09 -1.61 1.01 0.00 0.00 176.35 173.98 2dat s GLU 97 N -4.70 1.94 -0.43 1.70 2.02 -1.26 -3.41 118.70 114.55 2dat s GLU 97 Ca 0.66 0.90 -0.05 0.00 0.02 0.00 0.00 54.97 56.50 2dat s GLU 97 Cb -0.22 -1.88 0.05 0.00 0.10 0.00 0.00 34.13 32.19 2dat s GLU 97 CO 0.60 -1.79 0.14 0.41 0.02 0.00 0.00 175.26 174.64 2dat n GLY 98 N -1.47 -0.33 3.98 -1.39 0.00 -1.26 -4.85 105.19 99.86 2dat n GLY 98 Ca 0.08 0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.80 5.56 0.10 1.61 0.15 -1.22 -4.87 113.70 113.23 2dat s SER 99 Ca 0.19 -0.05 -0.27 0.00 0.70 0.00 0.00 55.95 56.52 2dat s SER 99 Cb -0.11 -1.02 -0.09 0.00 -1.71 0.00 0.00 66.02 63.08 2dat s SER 99 CO 0.24 -0.88 1.45 1.56 1.20 0.00 0.00 173.24 176.80 2dat h GLN 100 N 0.36 -0.36 -0.50 5.44 1.08 -1.89 -1.43 115.11 117.81 2dat h GLN 100 Ca -0.43 0.02 -0.05 0.00 -1.45 0.00 0.00 58.65 56.74 2dat h GLN 100 Cb 1.28 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 28.77 2dat h GLN 100 CO 0.52 -0.24 0.10 0.82 -0.95 0.00 0.00 178.83 179.08 2dat h ILE 101 N -0.37 1.25 -0.24 2.54 2.04 -1.95 -3.27 117.51 117.50 2dat h ILE 101 Ca 0.05 -0.89 0.02 0.00 1.00 0.00 0.00 64.86 65.04 2dat h ILE 101 Cb 0.51 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 2dat h ILE 101 CO -0.45 0.32 -0.19 0.22 0.00 0.00 0.00 178.15 178.05 2dat h TYR 102 N 0.70 -0.61 -1.00 1.37 3.20 -1.59 0.13 116.97 119.18 2dat h TYR 102 Ca 0.16 0.04 0.31 0.00 3.14 0.00 0.00 58.73 62.37 2dat h TYR 102 Cb 0.36 0.30 -0.18 0.00 1.54 0.00 0.00 36.73 38.75 2dat h TYR 102 CO 0.03 -0.14 0.14 0.93 -1.64 0.00 0.00 178.16 177.47 2dat h GLU 103 N -0.06 0.00 0.41 1.82 5.08 -1.34 0.19 114.58 120.68 2dat h GLU 103 Ca 0.04 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2dat h GLU 103 Cb 0.17 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 2dat h GLU 103 CO -0.26 0.00 -0.40 -0.44 -1.00 0.00 0.00 179.01 176.91 2dat h ASP 104 N 0.00 -1.08 -0.96 1.42 5.19 -0.83 -1.04 116.42 119.12 2dat h ASP 104 Ca 0.66 0.09 0.30 0.00 -0.62 0.00 0.00 57.03 57.46 2dat h ASP 104 Cb 1.47 0.36 -0.16 0.00 0.18 0.00 0.00 39.33 41.18 2dat h ASP 104 CO -0.90 -0.55 0.36 0.77 -3.12 0.00 0.00 179.24 175.80 2dat h SER 105 N -0.83 0.13 -0.25 6.45 4.64 0.22 0.43 113.55 124.35 2dat h SER 105 Ca -0.04 0.22 -0.07 0.00 -0.47 0.00 0.00 61.79 61.44 2dat h SER 105 Cb 0.73 0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 2dat h SER 105 CO -0.06 -0.24 -0.12 0.40 -0.87 0.00 0.00 176.83 175.94 2dat h ILE 106 N 0.16 1.30 0.72 0.95 5.03 -1.07 -3.23 117.51 121.37 2dat h ILE 106 Ca 0.68 -1.20 -0.03 0.00 -0.12 0.00 0.00 64.86 64.19 2dat h ILE 106 Cb 1.53 1.55 -0.00 0.00 -3.03 0.00 0.00 36.82 36.86 2dat h ILE 106 CO -0.71 0.37 -0.46 0.58 -0.68 0.00 0.00 178.15 177.25 2dat h VAL 107 N 0.25 0.00 -0.78 1.67 2.07 0.11 -2.85 116.25 116.71 2dat h VAL 107 Ca 0.06 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.74 2dat h VAL 107 Cb 0.62 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.25 2dat h VAL 107 CO 0.04 0.00 -0.16 0.18 0.02 0.00 0.00 177.57 177.64 2dat n LEU 108 N -5.35 -0.25 0.06 2.57 4.77 -0.12 -0.18 117.00 118.50 2dat n LEU 108 Ca -0.14 1.34 -0.12 0.00 -0.03 0.00 0.00 56.01 57.06 2dat n LEU 108 Cb 0.47 -0.42 -0.07 0.00 -2.33 0.00 0.00 43.42 41.06 2dat n LEU 108 CO 0.32 -1.30 0.51 1.56 -1.33 0.00 0.00 177.39 177.15 2dat h GLN 109 N 0.00 -0.51 -1.29 3.23 4.20 -1.52 0.16 115.11 119.38 2dat h GLN 109 Ca 0.39 0.03 0.38 0.00 0.06 0.00 0.00 58.65 59.51 2dat h GLN 109 Cb 0.63 0.12 -0.08 0.00 0.30 0.00 0.00 27.48 28.45 2dat h GLN 109 CO -0.79 -0.34 0.89 1.03 -0.67 0.00 0.00 178.83 178.95 2dat h SER 110 N -0.53 0.15 -0.31 1.46 0.87 -0.51 0.53 113.55 115.21 2dat h SER 110 Ca 0.00 0.04 -0.12 0.00 -1.23 0.00 0.00 61.79 60.49 2dat h SER 110 Cb 0.55 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 2dat h SER 110 CO -0.25 -0.01 -0.27 0.58 -0.53 0.00 0.00 176.83 176.35 2dat h VAL 111 N 0.11 1.29 0.16 2.23 2.07 -0.44 -2.84 116.25 118.84 2dat h VAL 111 Ca 0.67 -1.43 0.01 0.00 0.82 0.00 0.00 66.70 66.78 2dat h VAL 111 Cb 2.36 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 33.60 2dat h VAL 111 CO -0.15 0.46 -0.46 0.15 0.02 0.00 0.00 177.57 177.60 2dat h PHE 112 N 0.50 -1.29 -0.17 1.57 3.57 0.11 0.27 116.94 121.49 2dat h PHE 112 Ca 0.06 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.64 2dat h PHE 112 Cb 0.83 0.54 -0.06 0.00 2.79 0.00 0.00 35.95 40.06 2dat h PHE 112 CO 0.07 -0.56 -0.21 0.87 -2.23 0.00 0.00 178.31 176.25 2dat h LYS 113 N -0.72 -0.24 -0.73 1.11 1.57 -1.58 -0.00 116.57 115.98 2dat h LYS 113 Ca 0.01 0.02 0.16 0.00 -1.87 0.00 0.00 60.65 58.96 2dat h LYS 113 Cb 0.72 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.04 2dat h LYS 113 CO -0.24 -0.16 0.49 1.03 -0.57 0.00 0.00 179.45 180.01 2dat h SER 114 N -0.25 0.27 1.50 0.86 0.87 -1.22 0.58 113.55 116.17 2dat h SER 114 Ca 0.11 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2dat h SER 114 Cb 0.41 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 2dat h SER 114 CO -0.31 0.14 0.00 0.00 -0.53 0.00 0.00 176.83 176.12 2dat h ALA 115 N 1.66 1.00 0.01 6.23 0.00 0.87 -2.79 119.26 126.24 2dat h ALA 115 Ca 0.36 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 55.00 2dat h ALA 115 Cb 0.98 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 2dat h ALA 115 CO -0.09 0.00 -1.43 -2.13 0.00 0.00 0.00 179.25 175.60 2dat n ARG 116 N -2.43 0.58 0.25 0.00 0.63 0.18 -4.19 116.66 111.69 2dat n ARG 116 Ca 0.05 0.53 0.11 0.00 -0.92 0.00 0.00 57.85 57.62 2dat n ARG 116 Cb 0.43 -1.72 0.67 0.00 0.45 0.00 0.00 32.46 32.29 2dat n ARG 116 CO 0.00 0.00 0.00 -0.56 -2.51 0.00 0.00 177.63 174.56 2dat h GLN 117 N -0.91 0.00 -6.15 -0.14 3.07 -1.01 -3.41 115.11 106.56 2dat h GLN 117 Ca -0.39 0.00 -0.55 0.00 0.09 0.00 0.00 58.65 57.81 2dat h GLN 117 Cb 1.39 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.93 2dat h GLN 117 CO -0.20 0.14 1.32 -1.12 0.09 0.00 0.00 178.83 179.06 2dat s SER 118 N -6.27 5.64 0.04 0.06 0.01 -1.05 -4.97 113.70 107.16 2dat s SER 118 Ca -0.03 1.02 0.00 0.00 1.31 0.00 0.00 55.95 58.26 2dat s SER 118 Cb 0.13 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.84 2dat s SER 118 CO 0.60 -1.96 0.00 0.61 0.41 0.00 0.00 173.24 172.91 2dat n GLY 119 N 5.53 0.04 0.07 3.44 0.00 -1.26 -4.97 105.19 108.04 2dat n GLY 119 Ca 0.23 -1.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.36 2dat n GLY 119 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dat h PRO 120 N 0.00 -0.05 -5.22 1.61 0.13 -1.99 -3.41 132.00 123.07 2dat h PRO 120 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.05 2dat h PRO 120 Cb 0.00 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.11 2dat h PRO 120 CO 0.00 0.41 0.52 0.43 -0.23 0.00 0.00 178.00 179.13 2dat n SER 121 N -4.89 0.86 -4.40 1.44 7.64 -1.26 -4.87 113.62 108.15 2dat n SER 121 Ca -0.08 -1.36 -0.29 0.00 1.01 0.00 0.00 58.87 58.14 2dat n SER 121 Cb 0.25 -1.37 -0.13 0.00 -1.01 0.00 0.00 64.21 61.95 2dat n SER 121 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dat s SER 122 N 7.76 3.37 0.00 6.43 1.04 -1.26 -5.14 113.70 125.90 2dat s SER 122 Ca 0.98 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 56.70 2dat s SER 122 Cb -0.29 -0.27 0.00 0.00 0.10 0.00 0.00 66.02 65.57 2dat s SER 122 CO 0.20 0.19 0.03 0.61 0.98 0.00 0.00 173.24 175.25