#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 1.04 0.01 1.61 0.01 -1.26 -5.15 113.70 109.96 2dat s SER 2 Ca 0.00 -0.22 0.07 0.00 1.31 0.00 0.00 55.95 57.10 2dat s SER 2 Cb 0.00 -0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.12 2dat s SER 2 CO 0.00 0.06 -0.21 -0.44 0.41 0.00 0.00 173.24 173.06 2dat s SER 3 N -0.44 2.51 0.19 2.44 0.01 -1.26 -5.15 113.70 112.01 2dat s SER 3 Ca 0.02 -0.45 0.01 0.00 1.31 0.00 0.00 55.95 56.85 2dat s SER 3 Cb -0.04 -0.25 -0.01 0.00 0.21 0.00 0.00 66.02 65.93 2dat s SER 3 CO -0.00 0.22 0.05 0.61 0.41 0.00 0.00 173.24 174.53 2dat n GLY 4 N 2.25 3.76 3.67 3.44 0.00 -1.26 -5.10 105.19 111.94 2dat n GLY 4 Ca -0.16 -2.06 -0.45 0.00 0.00 0.00 0.00 46.02 43.35 2dat n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dat n SER 5 N -1.68 2.59 -4.56 1.61 7.64 -1.26 -4.87 113.62 113.10 2dat n SER 5 Ca -0.04 1.15 -0.40 0.00 1.01 0.00 0.00 58.87 60.59 2dat n SER 5 Cb 0.28 -1.42 -0.03 0.00 -1.01 0.00 0.00 64.21 62.03 2dat n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dat s SER 6 N 0.14 5.88 0.15 6.43 0.15 -1.26 -4.82 113.70 120.36 2dat s SER 6 Ca 0.66 0.06 0.00 0.00 0.70 0.00 0.00 55.95 57.37 2dat s SER 6 Cb -0.65 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.11 2dat s SER 6 CO 0.52 -1.96 0.00 0.61 1.20 0.00 0.00 173.24 173.62 2dat n GLY 7 N 5.44 -1.46 3.87 9.45 0.00 -1.26 -4.86 105.19 116.37 2dat n GLY 7 Ca 0.12 -1.29 -0.36 0.00 0.00 0.00 0.00 46.02 44.49 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 -4.00 6.53 -0.13 1.61 0.01 -1.26 -5.05 113.70 111.41 2dat s SER 8 Ca 0.00 0.61 -0.29 0.00 1.31 0.00 0.00 55.95 57.58 2dat s SER 8 Cb 0.00 -2.11 -0.04 0.00 0.21 0.00 0.00 66.02 64.08 2dat s SER 8 CO 0.00 0.30 1.55 -2.16 0.41 0.00 0.00 173.24 173.33 2dat s PRO 9 N -1.49 4.09 0.51 12.44 0.04 -1.26 -4.97 135.00 144.36 2dat s PRO 9 Ca 0.24 1.91 -0.21 0.00 0.04 0.00 0.00 61.00 62.99 2dat s PRO 9 Cb -0.14 -3.95 -0.09 0.00 0.04 0.00 0.00 34.50 30.37 2dat s PRO 9 CO 0.13 -0.94 0.84 0.27 0.04 0.00 0.00 177.00 177.35 2dat n ASN 10 N 7.37 0.40 -4.68 6.66 0.23 -1.26 -4.96 115.26 119.01 2dat n ASN 10 Ca 0.17 0.89 -0.29 0.00 -0.53 0.00 0.00 54.58 54.82 2dat n ASN 10 Cb 0.44 -1.30 0.17 0.00 -2.08 0.00 0.00 39.78 37.01 2dat n ASN 10 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 2dat s PRO 11 N -2.22 0.52 0.30 -0.53 0.04 -1.26 -4.80 135.00 127.05 2dat s PRO 11 Ca 0.68 0.56 0.08 0.00 0.04 0.00 0.00 61.00 62.37 2dat s PRO 11 Cb -0.49 -1.74 0.46 0.00 0.04 0.00 0.00 34.50 32.77 2dat s PRO 11 CO 0.53 -2.68 1.69 -1.00 0.04 0.00 0.00 177.00 175.58 2dat h PRO 12 N -1.86 0.13 -0.71 0.56 0.13 -1.98 -1.45 132.00 126.82 2dat h PRO 12 Ca -0.54 -0.07 -0.07 0.00 -0.87 0.00 0.00 66.00 64.45 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 0.58 0.17 -0.22 -0.23 0.00 0.00 178.00 178.87 2dat h LYS 13 N 0.11 1.14 0.03 0.86 3.64 -1.99 -1.45 116.57 118.91 2dat h LYS 13 Ca 0.00 -0.28 -0.00 0.00 -1.27 0.00 0.00 60.65 59.11 2dat h LYS 13 Cb 0.88 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 2dat h LYS 13 CO 0.07 1.01 -0.01 1.25 -2.27 0.00 0.00 179.45 179.49 2dat h LEU 14 N 1.08 -0.03 -0.32 5.20 5.85 -1.92 -3.13 115.31 122.04 2dat h LEU 14 Ca 0.22 -0.30 0.06 0.00 0.84 0.00 0.00 57.88 58.70 2dat h LEU 14 Cb 0.38 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.34 2dat h LEU 14 CO 0.00 0.61 -0.44 0.74 -0.34 0.00 0.00 178.44 179.01 2dat h THR 15 N -1.00 0.11 -0.06 1.05 2.02 -1.33 -1.14 112.91 112.56 2dat h THR 15 Ca -0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.20 2dat h THR 15 Cb 0.33 0.11 -0.06 0.00 -1.74 0.00 0.00 68.15 66.79 2dat h THR 15 CO 0.01 0.00 -0.54 0.50 0.37 0.00 0.00 175.52 175.86 2dat h LYS 16 N -0.39 -0.61 -0.75 6.66 1.63 -1.43 -1.08 116.57 120.61 2dat h LYS 16 Ca 0.11 0.04 0.15 0.00 -0.85 0.00 0.00 60.65 60.10 2dat h LYS 16 Cb 0.60 0.14 -0.14 0.00 -0.60 0.00 0.00 32.23 32.23 2dat h LYS 16 CO -0.52 -0.41 -0.22 0.37 -3.45 0.00 0.00 179.45 175.22 2dat h GLN 17 N -0.63 -0.02 0.43 1.90 4.15 -1.37 0.25 115.11 119.82 2dat h GLN 17 Ca 0.02 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 2dat h GLN 17 Cb 0.71 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.37 2dat h GLN 17 CO -0.39 -0.01 -0.50 0.52 -1.93 0.00 0.00 178.83 176.51 2dat h MET 18 N -0.02 -0.92 0.20 1.69 2.86 -0.36 -2.37 114.93 116.01 2dat h MET 18 Ca 0.35 0.06 0.01 0.00 -2.06 0.00 0.00 59.70 58.06 2dat h MET 18 Cb 0.56 0.21 -0.04 0.00 0.06 0.00 0.00 31.60 32.39 2dat h MET 18 CO -0.78 -0.61 -0.43 -0.91 1.06 0.00 0.00 176.91 175.23 2dat h ASN 19 N -0.95 -1.25 -1.01 1.22 2.35 -0.10 -1.36 115.58 114.47 2dat h ASN 19 Ca -0.05 0.13 0.42 0.00 -0.55 0.00 0.00 56.30 56.25 2dat h ASN 19 Cb 0.85 0.46 -0.18 0.00 0.05 0.00 0.00 38.32 39.50 2dat h ASN 19 CO -0.10 -0.52 0.56 0.00 -1.65 0.00 0.00 177.43 175.71 2dat n ALA 20 N -2.82 1.04 0.13 -0.83 0.00 0.78 0.11 120.51 118.92 2dat n ALA 20 Ca -0.08 1.00 -0.11 0.00 0.00 0.00 0.00 53.44 54.25 2dat n ALA 20 Cb 0.39 -1.01 -0.06 0.00 0.00 0.00 0.00 19.45 18.76 2dat n ALA 20 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2dat h ILE 21 N 0.00 0.50 0.74 0.00 2.04 -0.74 -3.15 117.51 116.90 2dat h ILE 21 Ca 0.85 -0.82 -0.04 0.00 1.00 0.00 0.00 64.86 65.85 2dat h ILE 21 Cb 2.27 0.82 0.01 0.00 -0.74 0.00 0.00 36.82 39.17 2dat h ILE 21 CO -0.75 0.12 -0.35 0.40 0.00 0.00 0.00 178.15 177.57 2dat h ILE 22 N -0.95 0.00 -0.72 -0.67 1.08 0.12 -2.26 117.51 114.10 2dat h ILE 22 Ca -0.04 -0.15 0.21 0.00 -0.39 0.00 0.00 64.86 64.49 2dat h ILE 22 Cb 0.50 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 34.11 2dat h ILE 22 CO 0.07 0.00 0.07 -0.67 -0.69 0.00 0.00 178.15 176.92 2dat n ASP 23 N -5.07 -0.04 0.23 1.72 2.03 0.31 0.24 116.55 115.97 2dat n ASP 23 Ca -0.12 1.22 -0.13 0.00 0.52 0.00 0.00 54.79 56.28 2dat n ASP 23 Cb 0.39 -0.46 -0.07 0.00 -0.72 0.00 0.00 41.12 40.26 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 0.35 -0.37 5.18 2.02 -1.49 -0.66 112.91 117.94 2dat h THR 24 Ca 0.46 -0.53 0.05 0.00 0.77 0.00 0.00 66.41 67.16 2dat h THR 24 Cb 1.00 0.52 -0.08 0.00 -1.74 0.00 0.00 68.15 67.85 2dat h THR 24 CO -0.66 0.06 -0.54 0.58 0.37 0.00 0.00 175.52 175.33 2dat h VAL 25 N -1.00 0.01 -0.97 3.16 2.07 0.41 0.46 116.25 120.38 2dat h VAL 25 Ca -0.06 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.49 2dat h VAL 25 Cb 0.57 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 2dat h VAL 25 CO 0.10 0.00 0.64 0.40 0.02 0.00 0.00 177.57 178.73 2dat h ILE 26 N -0.42 1.19 -0.96 4.57 2.04 -1.14 -2.13 117.51 120.67 2dat h ILE 26 Ca 0.07 -0.43 -0.64 0.00 1.00 0.00 0.00 64.86 64.86 2dat h ILE 26 Cb 0.61 -0.17 -0.27 0.00 -0.74 0.00 0.00 36.82 36.25 2dat h ILE 26 CO -0.57 0.23 0.83 0.59 0.00 0.00 0.00 178.15 179.23 2dat n ASN 27 N -4.42 7.57 -4.61 1.72 3.02 -0.17 -4.44 115.26 113.92 2dat n ASN 27 Ca 0.13 -3.71 -0.34 0.00 -0.03 0.00 0.00 54.58 50.63 2dat n ASN 27 Cb 0.07 -0.99 -0.11 0.00 -0.61 0.00 0.00 39.78 38.14 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 -3.60 2.99 -0.04 3.10 6.14 0.14 -4.82 117.35 121.26 2dat s TYR 28 Ca 0.61 0.06 -0.03 0.00 0.64 0.00 0.00 57.07 58.35 2dat s TYR 28 Cb 0.48 -1.72 -0.04 0.00 0.42 0.00 0.00 41.96 41.09 2dat s TYR 28 CO -0.02 0.37 0.14 -1.59 0.64 0.00 0.00 175.55 175.09 2dat s LYS 29 N -0.86 3.33 -0.16 4.97 0.00 -1.26 -4.07 119.74 121.70 2dat s LYS 29 Ca 0.13 -0.31 -0.13 0.00 0.00 0.00 0.00 55.97 55.66 2dat s LYS 29 Cb -0.11 -3.05 -0.08 0.00 0.00 0.00 0.00 37.83 34.58 2dat s LYS 29 CO 0.02 0.70 -0.01 0.38 0.00 0.00 0.00 175.35 176.43 2dat h ASP 30 N 4.24 0.00 0.00 0.03 2.03 -1.91 -3.47 116.42 117.34 2dat h ASP 30 Ca -0.51 -0.19 0.00 0.00 -0.73 0.00 0.00 57.03 55.61 2dat h ASP 30 Cb 1.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 2dat h ASP 30 CO 0.64 0.96 0.00 -0.24 -1.03 0.00 0.00 179.24 179.57 2dat n SER 31 N -4.57 0.07 -4.09 4.15 2.88 -1.26 -4.98 113.62 105.82 2dat n SER 31 Ca -0.14 0.05 -0.37 0.00 -1.33 0.00 0.00 58.87 57.09 2dat n SER 31 Cb 0.38 0.01 -0.05 0.00 -0.75 0.00 0.00 64.21 63.79 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 -2.66 4.45 -3.93 -3.46 7.64 -1.26 -4.81 113.62 109.59 2dat n SER 32 Ca 0.00 -3.16 -0.34 0.00 1.01 0.00 0.00 58.87 56.38 2dat n SER 32 Cb 0.00 -1.08 -0.06 0.00 -1.01 0.00 0.00 64.21 62.06 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 2.18 -0.32 3.68 0.23 0.00 -1.26 -4.85 105.19 104.86 2dat n GLY 33 Ca 0.23 0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.93 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 -5.98 4.18 0.35 1.61 6.06 -1.26 -4.96 118.95 118.95 2dat s ARG 34 Ca 0.66 0.14 -0.26 0.00 -2.50 0.00 0.00 55.73 53.77 2dat s ARG 34 Cb -0.39 -3.52 -0.09 0.00 0.06 0.00 0.00 34.95 31.02 2dat s ARG 34 CO 0.82 0.02 1.07 -1.14 -2.50 0.00 0.00 175.30 173.57 2dat s GLN 35 N 1.12 4.36 -0.18 5.12 0.74 -1.26 -2.99 119.66 126.58 2dat s GLN 35 Ca 0.18 1.64 -0.12 0.00 0.05 0.00 0.00 55.36 57.11 2dat s GLN 35 Cb -0.14 -2.82 -0.08 0.00 1.10 0.00 0.00 33.01 31.07 2dat s GLN 35 CO 0.07 0.01 -0.27 1.28 -0.55 0.00 0.00 175.29 175.82 2dat n LEU 36 N 0.47 1.58 0.29 3.68 4.77 -1.26 -4.45 117.00 122.09 2dat n LEU 36 Ca 0.02 0.27 0.10 0.00 -0.03 0.00 0.00 56.01 56.38 2dat n LEU 36 Cb 0.47 -0.63 0.48 0.00 -2.33 0.00 0.00 43.42 41.41 2dat n LEU 36 CO 0.49 0.19 1.09 0.77 -1.33 0.00 0.00 177.39 178.59 2dat h SER 37 N -0.77 0.00 -0.44 -1.43 4.64 -1.83 -2.45 113.55 111.27 2dat h SER 37 Ca -0.37 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 60.99 2dat h SER 37 Cb 1.25 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.28 2dat h SER 37 CO -0.23 0.00 -0.37 -0.33 -0.87 0.00 0.00 176.83 175.03 2dat h GLU 38 N 0.00 -0.14 0.00 4.77 5.08 -1.88 1.43 114.58 123.83 2dat h GLU 38 Ca 0.04 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2dat h GLU 38 Cb 1.32 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.60 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 -4.45 1.14 -1.11 3.13 0.24 -0.92 -1.47 118.33 114.88 2dat n VAL 39 Ca -0.01 0.28 0.09 0.00 -2.04 0.00 0.00 64.34 62.67 2dat n VAL 39 Cb 0.20 -1.13 0.17 0.00 -1.47 0.00 0.00 33.84 31.62 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 -1.42 0.23 0.00 6.34 3.72 0.37 -4.82 117.46 121.89 2dat n PHE 40 Ca 0.03 -1.04 0.00 0.00 -0.05 0.00 0.00 57.45 56.40 2dat n PHE 40 Cb 0.10 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.43 2dat n PHE 40 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2dat n ILE 41 N -1.21 0.00 -4.12 4.37 2.08 0.40 -2.88 119.36 117.99 2dat n ILE 41 Ca 0.18 0.84 -0.27 0.00 0.56 0.00 0.00 62.75 64.05 2dat n ILE 41 Cb 0.71 -1.65 -0.03 0.00 -0.75 0.00 0.00 39.64 37.92 2dat n ILE 41 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2dat s GLN 42 N -1.44 2.25 0.14 0.38 -2.07 -1.26 -2.96 119.66 114.70 2dat s GLN 42 Ca 0.00 -2.06 0.06 0.00 -1.82 0.00 0.00 55.36 51.53 2dat s GLN 42 Cb 0.00 -1.95 -0.04 0.00 -1.09 0.00 0.00 33.01 29.93 2dat s GLN 42 CO 0.00 -0.46 -0.13 -0.51 -1.32 0.00 0.00 175.29 172.87 2dat s LEU 43 N -4.12 2.47 -0.00 2.60 1.43 -1.26 -5.00 118.68 114.79 2dat s LEU 43 Ca 0.29 -0.90 -0.30 0.00 -1.03 0.00 0.00 54.13 52.19 2dat s LEU 43 Cb -0.00 -0.52 -0.06 0.00 0.03 0.00 0.00 46.19 45.64 2dat s LEU 43 CO 0.17 -0.20 1.45 -2.16 0.23 0.00 0.00 176.35 175.85 2dat s PRO 44 N -3.13 4.26 0.42 1.29 0.04 -1.26 -4.95 135.00 131.68 2dat s PRO 44 Ca 0.13 2.02 -0.21 0.00 0.04 0.00 0.00 61.00 62.98 2dat s PRO 44 Cb -0.02 -3.62 -0.15 0.00 0.04 0.00 0.00 34.50 30.75 2dat s PRO 44 CO 0.03 -0.63 0.18 0.43 0.04 0.00 0.00 177.00 177.06 2dat n SER 45 N 5.62 -2.45 -0.20 6.66 7.64 -1.26 -4.62 113.62 125.00 2dat n SER 45 Ca 0.14 0.81 -0.03 0.00 1.01 0.00 0.00 58.87 60.80 2dat n SER 45 Cb 0.43 -0.94 0.17 0.00 -1.01 0.00 0.00 64.21 62.86 2dat n SER 45 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2dat h ARG 46 N 0.38 0.98 0.23 1.43 1.12 -1.93 -1.33 114.38 115.26 2dat h ARG 46 Ca -0.38 -0.16 -0.01 0.00 -1.11 0.00 0.00 59.98 58.32 2dat h ARG 46 Cb 1.44 -0.17 0.00 0.00 -0.01 0.00 0.00 29.97 31.23 2dat h ARG 46 CO 0.47 0.79 -0.11 -0.22 -3.11 0.00 0.00 179.97 177.80 2dat h LYS 47 N 0.96 -0.30 0.91 0.20 1.63 -1.97 -0.67 116.57 117.34 2dat h LYS 47 Ca 0.23 0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 60.00 2dat h LYS 47 Cb 0.17 0.07 0.01 0.00 -0.60 0.00 0.00 32.23 31.88 2dat h LYS 47 CO -0.02 -0.18 -0.44 0.93 -3.45 0.00 0.00 179.45 176.29 2dat h GLU 48 N -0.33 -1.18 -3.25 1.90 5.08 -1.87 -3.36 114.58 111.56 2dat h GLU 48 Ca -0.03 0.08 -0.67 0.00 -1.00 0.00 0.00 59.36 57.74 2dat h GLU 48 Cb 0.26 0.27 -0.38 0.00 0.50 0.00 0.00 28.75 29.39 2dat h GLU 48 CO 0.05 -0.79 -0.35 -1.17 -1.00 0.00 0.00 179.01 175.75 2dat s LEU 49 N -9.90 5.14 0.19 1.33 2.96 -0.52 -4.91 118.68 112.98 2dat s LEU 49 Ca -0.18 -3.64 -0.04 0.00 -0.22 0.00 0.00 54.13 50.04 2dat s LEU 49 Cb 0.02 -1.77 0.13 0.00 0.50 0.00 0.00 46.19 45.06 2dat s LEU 49 CO 0.56 -0.16 1.55 1.55 -1.32 0.00 0.00 176.35 178.53 2dat h PRO 50 N 5.89 0.67 -0.67 0.98 0.13 -1.28 -3.19 132.00 134.54 2dat h PRO 50 Ca 0.12 -0.36 0.12 0.00 -0.87 0.00 0.00 66.00 65.01 2dat h PRO 50 Cb 0.81 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 31.87 2dat h PRO 50 CO 0.77 0.97 0.24 1.05 -0.23 0.00 0.00 178.00 180.80 2dat h GLU 51 N 0.55 0.39 -0.98 0.86 4.11 -1.91 -0.38 114.58 117.22 2dat h GLU 51 Ca 0.04 -0.02 0.25 0.00 0.07 0.00 0.00 59.36 59.70 2dat h GLU 51 Cb 0.95 -0.09 -0.13 0.00 0.50 0.00 0.00 28.75 29.99 2dat h GLU 51 CO 0.09 0.26 0.56 -0.92 0.07 0.00 0.00 179.01 179.06 2dat h TYR 52 N 0.40 0.94 0.00 2.06 5.03 -1.94 0.78 116.97 124.24 2dat h TYR 52 Ca 0.35 0.04 -0.04 0.00 2.58 0.00 0.00 58.73 61.66 2dat h TYR 52 Cb 0.49 -0.26 -0.01 0.00 1.55 0.00 0.00 36.73 38.50 2dat h TYR 52 CO -0.18 0.02 -0.17 1.88 -1.32 0.00 0.00 178.16 178.39 2dat h TYR 53 N 0.52 0.00 0.27 -3.82 -1.99 -1.24 -2.37 116.97 108.34 2dat h TYR 53 Ca 0.64 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 61.36 2dat h TYR 53 Cb 1.24 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.97 2dat h TYR 53 CO -0.03 0.17 -0.13 0.93 -0.00 0.00 0.00 178.16 179.10 2dat h GLU 54 N 0.00 -0.35 -0.06 4.88 4.39 0.14 -3.33 114.58 120.25 2dat h GLU 54 Ca -0.00 0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.66 2dat h GLU 54 Cb 1.11 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 2dat h GLU 54 CO 0.02 -0.02 -0.20 1.37 -1.16 0.00 0.00 179.01 179.02 2dat h LEU 55 N -0.76 0.28-10.02 1.33 -0.00 -1.43 -3.45 115.31 101.26 2dat h LEU 55 Ca -0.04 -0.63 -0.51 0.00 -0.00 0.00 0.00 57.88 56.70 2dat h LEU 55 Cb 0.50 -0.08 0.08 0.00 -0.00 0.00 0.00 40.66 41.15 2dat h LEU 55 CO 0.06 0.86 0.49 -0.63 -0.00 0.00 0.00 178.44 179.22 2dat s ILE 56 N -3.71 2.97 -0.21 0.15 -1.09 -0.89 -4.98 121.20 113.43 2dat s ILE 56 Ca -0.15 0.70 -0.13 0.00 -2.23 0.00 0.00 60.65 58.84 2dat s ILE 56 Cb 0.03 -3.34 -0.19 0.00 -1.58 0.00 0.00 42.46 37.38 2dat s ILE 56 CO 0.74 -0.03 0.05 -2.11 -1.23 0.00 0.00 174.94 172.36 2dat n ARG 57 N -0.73 0.63 -3.62 2.79 0.00 -1.26 -4.73 116.66 109.74 2dat n ARG 57 Ca 0.09 0.37 -0.28 0.00 -0.00 0.00 0.00 57.85 58.03 2dat n ARG 57 Cb 0.48 -1.65 -0.12 0.00 -0.00 0.00 0.00 32.46 31.18 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 -2.46 1.33 -1.09 2.89 -0.14 -1.26 -5.06 119.74 113.95 2dat s LYS 58 Ca -0.31 -2.25 -0.23 0.00 -1.36 0.00 0.00 55.97 51.82 2dat s LYS 58 Cb 0.09 -2.14 -0.07 0.00 -1.68 0.00 0.00 37.83 34.02 2dat s LYS 58 CO 0.61 -1.27 1.94 -1.25 -0.76 0.00 0.00 175.35 174.62 2dat s PRO 59 N -0.05 2.51 0.34 -1.68 0.04 -1.26 -4.87 135.00 130.02 2dat s PRO 59 Ca 0.24 -0.86 0.08 0.00 0.04 0.00 0.00 61.00 60.50 2dat s PRO 59 Cb -0.10 -5.18 -0.03 0.00 0.04 0.00 0.00 34.50 29.23 2dat s PRO 59 CO -0.10 -3.79 0.27 0.54 0.04 0.00 0.00 177.00 173.96 2dat s VAL 60 N 10.75 3.42 0.33 -0.36 0.11 -1.26 -5.06 120.40 128.32 2dat s VAL 60 Ca 0.69 -1.42 0.01 0.00 -2.93 0.00 0.00 61.98 58.33 2dat s VAL 60 Cb -0.03 -3.15 -0.00 0.00 -1.53 0.00 0.00 36.38 31.67 2dat s VAL 60 CO 0.08 -0.17 0.41 -0.90 -3.33 0.00 0.00 175.10 171.19 2dat n ASP 61 N -1.34 -1.11 0.05 3.54 5.68 -1.26 -4.72 116.55 117.39 2dat n ASP 61 Ca -0.02 -2.91 -0.13 0.00 -0.50 0.00 0.00 54.79 51.24 2dat n ASP 61 Cb 0.60 2.17 -0.09 0.00 -1.14 0.00 0.00 41.12 42.67 2dat n ASP 61 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 2dat h PHE 62 N 1.99 -0.15 -0.98 2.11 0.04 -1.41 -2.35 116.94 116.18 2dat h PHE 62 Ca -0.25 -0.00 0.34 0.00 2.80 0.00 0.00 57.97 60.85 2dat h PHE 62 Cb 1.14 0.05 -0.16 0.00 2.20 0.00 0.00 35.95 39.18 2dat h PHE 62 CO 0.00 0.25 0.46 0.87 -0.60 0.00 0.00 178.31 179.29 2dat h LYS 63 N -0.59 0.17 0.27 1.51 1.57 -1.81 -0.57 116.57 117.12 2dat h LYS 63 Ca -0.02 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2dat h LYS 63 Cb 0.46 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2dat h LYS 63 CO 0.03 0.11 -0.13 0.87 -0.57 0.00 0.00 179.45 179.76 2dat h LYS 64 N 0.17 -0.35 -0.90 3.15 1.79 -1.84 -1.98 116.57 116.61 2dat h LYS 64 Ca 0.73 0.02 0.33 0.00 -2.18 0.00 0.00 60.65 59.56 2dat h LYS 64 Cb 1.74 0.08 -0.16 0.00 -1.58 0.00 0.00 32.23 32.31 2dat h LYS 64 CO -0.70 -0.23 0.32 -0.89 -1.08 0.00 0.00 179.45 176.87 2dat n ILE 65 N -4.22 -0.38 -0.04 1.86 5.41 -0.66 0.14 119.36 121.47 2dat n ILE 65 Ca -0.05 1.89 -0.16 0.00 1.00 0.00 0.00 62.75 65.43 2dat n ILE 65 Cb 0.14 -2.95 -0.08 0.00 -0.71 0.00 0.00 39.64 36.05 2dat n ILE 65 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 2dat h LYS 66 N 0.00 0.55 -0.78 0.38 1.57 -1.21 -3.23 116.57 113.85 2dat h LYS 66 Ca 0.69 -0.42 0.19 0.00 -1.87 0.00 0.00 60.65 59.24 2dat h LYS 66 Cb 1.70 0.08 -0.13 0.00 0.08 0.00 0.00 32.23 33.96 2dat h LYS 66 CO -0.75 1.04 0.10 1.49 -0.57 0.00 0.00 179.45 180.76 2dat h GLU 67 N 0.17 0.16 -0.34 3.15 4.81 0.20 0.76 114.58 123.48 2dat h GLU 67 Ca -0.02 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2dat h GLU 67 Cb 1.10 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 2dat h GLU 67 CO 0.10 0.11 0.21 0.00 -0.73 0.00 0.00 179.01 178.69 2dat h ARG 68 N 0.17 0.41 -0.37 1.92 3.08 -1.43 0.62 114.38 118.78 2dat h ARG 68 Ca 0.45 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.55 2dat h ARG 68 Cb 0.82 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.71 2dat h ARG 68 CO -0.63 0.27 -0.10 0.82 -1.07 0.00 0.00 179.97 179.26 2dat h ILE 69 N 0.42 0.61 0.00 2.04 2.04 -0.89 0.29 117.51 122.01 2dat h ILE 69 Ca 0.13 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.90 2dat h ILE 69 Cb -0.01 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 2dat h ILE 69 CO -0.06 0.00 -0.46 0.08 0.00 0.00 0.00 178.15 177.72 2dat h ARG 70 N -0.02 0.00 -0.70 2.37 0.11 -1.11 -3.04 114.38 112.00 2dat h ARG 70 Ca 0.18 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.26 2dat h ARG 70 Cb 0.29 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.37 2dat h ARG 70 CO -0.39 0.46 0.00 0.09 0.10 0.00 0.00 179.97 180.23 2dat n ASN 71 N -3.37 4.45 -3.12 0.08 4.13 0.21 -4.90 115.26 112.75 2dat n ASN 71 Ca 0.01 -2.68 -0.19 0.00 1.68 0.00 0.00 54.58 53.40 2dat n ASN 71 Cb 0.63 -0.64 -0.03 0.00 -1.54 0.00 0.00 39.78 38.20 2dat n ASN 71 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 2dat n HIS 72 N 0.44 -1.28 -0.06 3.10 8.25 0.77 -4.76 115.22 121.69 2dat n HIS 72 Ca 0.20 0.30 -0.12 0.00 -0.26 0.00 0.00 57.72 57.84 2dat n HIS 72 Cb 0.95 -1.19 -0.11 0.00 1.12 0.00 0.00 29.99 30.76 2dat n HIS 72 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2dat h LYS 73 N -0.38 -0.01 -6.56 -0.41 3.64 -1.14 -3.45 116.57 108.27 2dat h LYS 73 Ca -0.26 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.62 2dat h LYS 73 Cb 0.99 0.00 0.23 0.00 -0.41 0.00 0.00 32.23 33.04 2dat h LYS 73 CO 0.39 0.80 -1.17 0.66 -2.27 0.00 0.00 179.45 177.86 2dat n TYR 74 N -4.66 -1.91 -0.01 1.91 4.01 -1.25 -4.97 117.16 110.28 2dat n TYR 74 Ca -0.08 0.21 -0.01 0.00 -0.16 0.00 0.00 57.90 57.86 2dat n TYR 74 Cb 0.39 -1.61 -0.01 0.00 -0.31 0.00 0.00 39.34 37.81 2dat n TYR 74 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2dat n ARG 75 N -0.85 1.24 -3.46 -0.72 1.74 -1.26 -4.99 116.66 108.35 2dat n ARG 75 Ca 0.02 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.97 2dat n ARG 75 Cb 0.60 -1.03 -0.03 0.00 -1.02 0.00 0.00 32.46 30.98 2dat n ARG 75 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2dat s SER 76 N -3.81 -0.58 0.33 0.55 0.01 -1.26 -5.03 113.70 103.91 2dat s SER 76 Ca -0.01 0.25 0.09 0.00 1.31 0.00 0.00 55.95 57.59 2dat s SER 76 Cb 0.00 0.56 0.97 0.00 0.21 0.00 0.00 66.02 67.76 2dat s SER 76 CO 0.03 -0.81 1.59 -0.07 0.41 0.00 0.00 173.24 174.40 2dat h LEU 77 N 2.35 -0.06 -1.01 2.44 3.38 -1.99 0.46 115.31 120.88 2dat h LEU 77 Ca -0.30 0.25 0.36 0.00 0.09 0.00 0.00 57.88 58.28 2dat h LEU 77 Cb 1.24 0.35 -0.16 0.00 0.09 0.00 0.00 40.66 42.19 2dat h LEU 77 CO 0.38 -0.33 0.57 1.23 0.09 0.00 0.00 178.44 180.37 2dat h GLY 78 N 0.07 2.13 0.77 0.83 0.00 -1.99 0.41 103.07 105.28 2dat h GLY 78 Ca 0.68 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.76 2dat h GLY 78 CO -0.80 -0.60 -0.08 -0.55 0.00 0.00 0.00 176.54 174.51 2dat h ASP 79 N 0.20 0.35 -0.83 0.19 5.19 -0.49 -2.31 116.42 118.73 2dat h ASP 79 Ca 0.78 -0.41 -0.03 0.00 -0.62 0.00 0.00 57.03 56.75 2dat h ASP 79 Cb 1.90 -0.10 -0.04 0.00 0.18 0.00 0.00 39.33 41.28 2dat h ASP 79 CO -0.66 0.68 0.39 0.25 -3.12 0.00 0.00 179.24 176.78 2dat h LEU 80 N 0.02 1.10 0.84 1.55 5.85 -0.37 -1.55 115.31 122.75 2dat h LEU 80 Ca 0.04 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 2dat h LEU 80 Cb 0.55 -0.28 0.01 0.00 0.37 0.00 0.00 40.66 41.30 2dat h LEU 80 CO 0.02 0.93 -0.40 -0.08 -0.34 0.00 0.00 178.44 178.57 2dat h GLU 81 N 1.19 -1.09 -0.56 1.25 4.81 -0.63 0.26 114.58 119.82 2dat h GLU 81 Ca 0.28 0.07 0.16 0.00 -0.13 0.00 0.00 59.36 59.75 2dat h GLU 81 Cb 0.13 0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 2dat h GLU 81 CO -0.03 -0.73 0.42 1.57 -0.73 0.00 0.00 179.01 179.51 2dat h LYS 82 N -1.18 0.00 0.08 1.92 2.10 -1.40 0.67 116.57 118.76 2dat h LYS 82 Ca -0.12 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.26 2dat h LYS 82 Cb 0.87 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.21 2dat h LYS 82 CO 0.19 0.00 -1.15 0.22 -2.00 0.00 0.00 179.45 176.71 2dat h ASP 83 N 0.00 0.74 0.25 7.07 1.82 -0.95 -2.84 116.42 122.51 2dat h ASP 83 Ca 0.27 -0.66 -0.01 0.00 -0.39 0.00 0.00 57.03 56.23 2dat h ASP 83 Cb 1.10 -0.23 0.00 0.00 0.68 0.00 0.00 39.33 40.88 2dat h ASP 83 CO -0.00 1.48 -0.12 0.58 -1.61 0.00 0.00 179.24 179.57 2dat h VAL 84 N 0.26 0.78 -0.19 2.25 2.07 0.17 -2.18 116.25 119.41 2dat h VAL 84 Ca -0.15 -0.76 0.05 0.00 0.82 0.00 0.00 66.70 66.67 2dat h VAL 84 Cb 1.81 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.75 2dat h VAL 84 CO 0.21 0.15 0.15 0.24 0.02 0.00 0.00 177.57 178.34 2dat h MET 85 N -0.75 0.00 -0.11 1.57 2.86 -1.19 -1.05 114.93 116.25 2dat h MET 85 Ca -0.03 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.40 2dat h MET 85 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 2dat h MET 85 CO 0.06 0.00 -0.76 1.25 1.06 0.00 0.00 176.91 178.51 2dat h LEU 86 N 0.00 0.70 -2.45 1.22 5.85 -1.41 -2.83 115.31 116.39 2dat h LEU 86 Ca 0.09 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.34 2dat h LEU 86 Cb 0.38 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 2dat h LEU 86 CO -0.00 1.23 -0.02 0.25 -0.34 0.00 0.00 178.44 179.56 2dat h LEU 87 N 0.40 0.00 0.00 2.25 6.46 -0.52 -1.93 115.31 121.96 2dat h LEU 87 Ca -0.04 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.65 2dat h LEU 87 Cb 1.36 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.28 2dat h LEU 87 CO 0.14 0.02 -0.38 0.00 -0.62 0.00 0.00 178.44 177.60 2dat h HIS 89 N -1.00 -0.70 -1.03 0.00 -0.00 -1.25 -1.32 115.15 109.85 2dat h HIS 89 Ca -0.10 0.03 0.38 0.00 -0.00 0.00 0.00 60.37 60.67 2dat h HIS 89 Cb 0.97 0.32 -0.13 0.00 -0.00 0.00 0.00 27.41 28.57 2dat h HIS 89 CO 0.18 -0.35 0.63 0.09 -0.00 0.00 0.00 177.93 178.48 2dat n ASN 90 N -5.38 0.21 0.02 3.26 3.02 -0.75 0.69 115.26 116.33 2dat n ASN 90 Ca -0.04 1.22 -0.11 0.00 -0.03 0.00 0.00 54.58 55.63 2dat n ASN 90 Cb 0.29 -0.60 -0.08 0.00 -0.61 0.00 0.00 39.78 38.78 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 1.43 -0.14 0.00 5.41 0.00 -1.41 -2.56 119.26 121.99 2dat h ALA 91 Ca 0.72 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.37 2dat h ALA 91 Cb 2.17 0.05 0.00 0.00 0.00 0.00 0.00 17.79 20.01 2dat h ALA 91 CO -0.47 -0.21 0.42 1.96 0.00 0.00 0.00 179.25 180.95 2dat h GLN 92 N -0.87 0.00 0.00 0.00 4.20 0.51 0.88 115.11 119.83 2dat h GLN 92 Ca -0.01 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.55 2dat h GLN 92 Cb 0.56 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 2dat h GLN 92 CO 0.02 0.00 -0.99 1.15 -0.67 0.00 0.00 178.83 178.34 2dat h THR 93 N 0.00 0.59 0.00 -0.54 2.02 -1.23 -3.44 112.91 110.31 2dat h THR 93 Ca 0.00 -1.76 -0.00 0.00 0.77 0.00 0.00 66.41 65.42 2dat h THR 93 Cb 0.85 1.43 -0.00 0.00 -1.74 0.00 0.00 68.15 68.69 2dat h THR 93 CO 0.00 0.20 -0.17 0.15 0.37 0.00 0.00 175.52 176.07 2dat h PHE 94 N -1.00 0.00 -3.24 3.16 3.57 -0.77 -3.47 116.94 115.19 2dat h PHE 94 Ca -0.23 0.00 -0.52 0.00 3.53 0.00 0.00 57.97 60.76 2dat h PHE 94 Cb 1.02 0.00 0.22 0.00 2.79 0.00 0.00 35.95 39.98 2dat h PHE 94 CO -0.01 0.01 -0.64 0.09 -2.23 0.00 0.00 178.31 175.53 2dat n ASN 95 N -4.72 -2.09 -4.64 0.41 3.02 0.29 -4.91 115.26 102.62 2dat n ASN 95 Ca -0.03 0.25 -0.33 0.00 -0.03 0.00 0.00 54.58 54.44 2dat n ASN 95 Cb 0.09 -1.17 0.13 0.00 -0.61 0.00 0.00 39.78 38.22 2dat n ASN 95 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2dat n LEU 96 N -1.48 3.47 -4.93 3.41 4.77 -1.26 -4.68 117.00 116.30 2dat n LEU 96 Ca 0.06 0.53 -0.25 0.00 -0.03 0.00 0.00 56.01 56.31 2dat n LEU 96 Cb 0.55 -1.45 -0.02 0.00 -2.33 0.00 0.00 43.42 40.17 2dat n LEU 96 CO 0.51 -2.09 0.14 -1.61 -1.33 0.00 0.00 177.39 173.00 2dat s GLU 97 N -4.06 3.51 0.00 3.23 2.02 -1.26 -4.01 118.70 118.13 2dat s GLU 97 Ca 0.70 -0.30 0.00 0.00 0.02 0.00 0.00 54.97 55.39 2dat s GLU 97 Cb -0.28 -2.71 0.00 0.00 0.10 0.00 0.00 34.13 31.24 2dat s GLU 97 CO 0.54 0.23 0.00 0.41 0.02 0.00 0.00 175.26 176.46 2dat n GLY 98 N -1.39 -0.38 3.90 -1.39 0.00 -1.26 -4.83 105.19 99.84 2dat n GLY 98 Ca -0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 2dat n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dat s SER 99 N -1.54 4.61 0.03 1.61 0.01 -1.26 -4.89 113.70 112.28 2dat s SER 99 Ca 0.00 -1.27 -0.07 0.00 1.31 0.00 0.00 55.95 55.91 2dat s SER 99 Cb 0.00 0.46 -0.02 0.00 0.21 0.00 0.00 66.02 66.66 2dat s SER 99 CO 0.00 -1.12 1.13 1.56 0.41 0.00 0.00 173.24 175.22 2dat h GLN 100 N 0.75 -0.07 -0.34 12.44 1.08 -1.92 0.77 115.11 127.82 2dat h GLN 100 Ca -0.37 0.01 0.07 0.00 -1.45 0.00 0.00 58.65 56.91 2dat h GLN 100 Cb 1.30 0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 28.67 2dat h GLN 100 CO 0.57 -0.05 -0.27 0.82 -0.95 0.00 0.00 178.83 178.95 2dat h ILE 101 N -0.08 0.32 -0.44 2.54 2.04 -1.97 -2.03 117.51 117.89 2dat h ILE 101 Ca 0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.93 2dat h ILE 101 Cb 0.13 0.32 -0.08 0.00 -0.74 0.00 0.00 36.82 36.44 2dat h ILE 101 CO -0.15 0.00 -0.54 0.22 0.00 0.00 0.00 178.15 177.68 2dat h TYR 102 N -0.23 -1.65 -0.81 1.37 3.20 -1.53 0.82 116.97 118.13 2dat h TYR 102 Ca 0.17 0.08 0.19 0.00 3.14 0.00 0.00 58.73 62.31 2dat h TYR 102 Cb 0.50 0.78 -0.12 0.00 1.54 0.00 0.00 36.73 39.42 2dat h TYR 102 CO -0.47 -0.46 0.27 0.93 -1.64 0.00 0.00 178.16 176.79 2dat h GLU 103 N -0.35 0.31 0.07 1.82 4.39 -0.38 -0.75 114.58 119.69 2dat h GLU 103 Ca 0.08 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.77 2dat h GLU 103 Cb 0.55 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 2dat h GLU 103 CO -0.60 0.21 -0.12 0.22 -1.16 0.00 0.00 179.01 177.56 2dat h ASP 104 N 0.32 -0.32 -0.93 1.42 1.82 -0.22 -1.58 116.42 116.92 2dat h ASP 104 Ca 0.48 0.04 0.22 0.00 -0.39 0.00 0.00 57.03 57.38 2dat h ASP 104 Cb 0.87 0.12 -0.12 0.00 0.68 0.00 0.00 39.33 40.89 2dat h ASP 104 CO -0.53 -0.18 0.48 0.77 -1.61 0.00 0.00 179.24 178.17 2dat h SER 105 N -0.23 0.49 -0.22 2.28 4.64 0.42 0.24 113.55 121.17 2dat h SER 105 Ca 0.02 0.14 -0.13 0.00 -0.47 0.00 0.00 61.79 61.35 2dat h SER 105 Cb 0.25 0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 2dat h SER 105 CO -0.07 0.07 -0.30 0.40 -0.87 0.00 0.00 176.83 176.06 2dat h ILE 106 N 0.50 1.28 0.29 0.95 5.03 -0.98 -3.22 117.51 121.37 2dat h ILE 106 Ca 0.58 -1.44 -0.01 0.00 -0.12 0.00 0.00 64.86 63.87 2dat h ILE 106 Cb 1.06 1.34 -0.00 0.00 -3.03 0.00 0.00 36.82 36.20 2dat h ILE 106 CO -0.49 0.47 -0.16 0.58 -0.68 0.00 0.00 178.15 177.87 2dat h VAL 107 N 0.62 0.66 -0.72 1.67 2.07 0.42 -3.05 116.25 117.92 2dat h VAL 107 Ca 0.07 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.69 2dat h VAL 107 Cb 0.82 0.66 -0.11 0.00 -1.52 0.00 0.00 31.29 31.15 2dat h VAL 107 CO 0.07 0.00 -0.32 0.18 0.02 0.00 0.00 177.57 177.52 2dat n LEU 108 N -5.28 -0.55 -0.12 2.57 4.77 -0.67 -0.62 117.00 117.10 2dat n LEU 108 Ca -0.10 1.26 -0.04 0.00 -0.03 0.00 0.00 56.01 57.10 2dat n LEU 108 Cb 0.20 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 41.00 2dat n LEU 108 CO 0.34 -1.10 0.49 1.56 -1.33 0.00 0.00 177.39 177.36 2dat h GLN 109 N 0.00 -0.04 -1.33 3.23 4.20 -1.65 0.59 115.11 120.11 2dat h GLN 109 Ca 0.21 0.00 0.44 0.00 0.06 0.00 0.00 58.65 59.36 2dat h GLN 109 Cb 0.39 0.01 -0.13 0.00 0.30 0.00 0.00 27.48 28.05 2dat h GLN 109 CO -0.70 -0.03 0.86 1.03 -0.67 0.00 0.00 178.83 179.33 2dat h SER 110 N -0.04 0.24 -0.04 1.46 0.87 -0.97 0.53 113.55 115.60 2dat h SER 110 Ca 0.05 0.14 -0.04 0.00 -1.23 0.00 0.00 61.79 60.71 2dat h SER 110 Cb 0.16 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 2dat h SER 110 CO -0.30 -0.18 -0.12 0.58 -0.53 0.00 0.00 176.83 176.28 2dat h VAL 111 N 0.08 1.45 -0.58 2.23 2.07 0.37 -2.62 116.25 119.26 2dat h VAL 111 Ca 0.82 -1.53 0.09 0.00 0.82 0.00 0.00 66.70 66.91 2dat h VAL 111 Cb 2.61 2.36 -0.07 0.00 -1.52 0.00 0.00 31.29 34.67 2dat h VAL 111 CO -0.41 0.42 0.19 0.15 0.02 0.00 0.00 177.57 177.93 2dat h PHE 112 N -0.40 0.33 0.59 1.57 3.04 0.26 -1.51 116.94 120.82 2dat h PHE 112 Ca -0.00 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.95 2dat h PHE 112 Cb 0.74 -0.06 0.01 0.00 2.56 0.00 0.00 35.95 39.20 2dat h PHE 112 CO 0.13 0.07 -0.28 0.87 -2.02 0.00 0.00 178.31 177.08 2dat h LYS 113 N 0.36 -0.76 -1.20 1.11 6.56 -1.29 -1.02 116.57 120.33 2dat h LYS 113 Ca 0.29 0.05 0.40 0.00 -1.06 0.00 0.00 60.65 60.34 2dat h LYS 113 Cb 0.37 0.17 -0.14 0.00 -0.57 0.00 0.00 32.23 32.06 2dat h LYS 113 CO -0.31 -0.51 0.74 1.03 -2.06 0.00 0.00 179.45 178.34 2dat h SER 114 N -0.84 0.32 0.39 0.86 0.87 -1.32 0.97 113.55 114.80 2dat h SER 114 Ca -0.08 0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 2dat h SER 114 Cb 0.61 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 2dat h SER 114 CO 0.13 -0.20 -0.19 0.00 -0.53 0.00 0.00 176.83 176.04 2dat h ALA 115 N 1.71 -0.53 0.02 6.23 0.00 -1.06 -0.62 119.26 125.01 2dat h ALA 115 Ca 0.80 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.55 2dat h ALA 115 Cb 2.30 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 20.24 2dat h ALA 115 CO -0.50 -0.56 -0.48 -0.09 0.00 0.00 0.00 179.25 177.62 2dat h ARG 116 N -1.00 -0.62 -0.09 0.00 2.43 0.49 -2.19 114.38 113.39 2dat h ARG 116 Ca -0.05 0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 2dat h ARG 116 Cb 0.53 0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.19 2dat h ARG 116 CO 0.09 -0.41 -0.08 -0.56 -1.51 0.00 0.00 179.97 177.50 2dat h GLN 117 N -0.64 -0.09 -4.24 0.20 3.07 -1.20 -3.39 115.11 108.83 2dat h GLN 117 Ca 0.03 0.01 -0.60 0.00 0.09 0.00 0.00 58.65 58.17 2dat h GLN 117 Cb 0.70 0.02 -0.39 0.00 0.08 0.00 0.00 27.48 27.89 2dat h GLN 117 CO -0.33 -0.06 -0.78 0.45 0.09 0.00 0.00 178.83 178.20 2dat s SER 118 N -5.12 3.87 0.00 0.06 0.15 -0.24 -5.10 113.70 107.32 2dat s SER 118 Ca -0.14 -1.27 0.00 0.00 0.70 0.00 0.00 55.95 55.24 2dat s SER 118 Cb 0.09 -1.14 0.00 0.00 -1.71 0.00 0.00 66.02 63.26 2dat s SER 118 CO 0.67 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.45 2dat n GLY 119 N 4.68 2.42 3.33 9.45 0.00 -0.86 -3.91 105.19 120.30 2dat n GLY 119 Ca -0.10 -1.81 -0.28 0.00 0.00 0.00 0.00 46.02 43.83 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 -3.05 -4.00 1.61 -0.04 -1.26 -5.08 135.00 123.17 2dat n PRO 120 Ca 0.00 -1.66 -0.09 0.00 -0.04 0.00 0.00 63.50 61.70 2dat n PRO 120 Cb 0.00 -1.56 -0.05 0.00 -0.04 0.00 0.00 33.50 31.85 2dat n PRO 120 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dat s SER 121 N -4.31 -0.01 -1.41 3.54 0.15 -1.26 -4.93 113.70 105.47 2dat s SER 121 Ca 0.68 -0.98 -0.05 0.00 0.70 0.00 0.00 55.95 56.29 2dat s SER 121 Cb -0.07 0.60 0.05 0.00 -1.71 0.00 0.00 66.02 64.89 2dat s SER 121 CO 0.52 -1.16 0.14 -1.20 1.20 0.00 0.00 173.24 172.73 2dat n SER 122 N -0.48 0.20 0.00 5.45 7.64 -1.26 -5.34 113.62 119.83 2dat n SER 122 Ca -0.02 -1.10 0.00 0.00 1.01 0.00 0.00 58.87 58.77 2dat n SER 122 Cb 0.62 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 2dat n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64