#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 -0.03 0.11 1.61 1.04 -1.26 -5.16 113.70 110.01 2dat s SER 2 Ca 0.00 0.04 -0.07 0.00 0.48 0.00 0.00 55.95 56.40 2dat s SER 2 Cb 0.00 0.10 -0.01 0.00 0.10 0.00 0.00 66.02 66.21 2dat s SER 2 CO 0.00 -0.05 0.18 -0.44 0.98 0.00 0.00 173.24 173.91 2dat s SER 3 N -0.13 0.15 0.00 7.02 0.01 -1.26 -5.06 113.70 114.43 2dat s SER 3 Ca -0.02 -0.78 0.00 0.00 1.31 0.00 0.00 55.95 56.47 2dat s SER 3 Cb -0.01 0.35 0.00 0.00 0.21 0.00 0.00 66.02 66.56 2dat s SER 3 CO 0.00 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 173.50 2dat n GLY 4 N -0.08 0.00 3.84 3.44 0.00 -1.26 -5.18 105.19 105.95 2dat n GLY 4 Ca -0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 2dat n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dat s SER 5 N 0.00 5.36 -0.58 1.61 0.15 -1.26 -5.09 113.70 113.89 2dat s SER 5 Ca 0.00 -0.42 -0.06 0.00 0.70 0.00 0.00 55.95 56.17 2dat s SER 5 Cb 0.00 -1.10 0.15 0.00 -1.71 0.00 0.00 66.02 63.36 2dat s SER 5 CO 0.00 -0.26 0.42 -0.94 1.20 0.00 0.00 173.24 173.66 2dat s SER 6 N -3.95 5.55 0.00 5.45 1.04 -1.26 -4.85 113.70 115.68 2dat s SER 6 Ca 0.39 -2.47 0.00 0.00 0.48 0.00 0.00 55.95 54.34 2dat s SER 6 Cb -0.06 -1.93 0.00 0.00 0.10 0.00 0.00 66.02 64.12 2dat s SER 6 CO 0.26 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.59 2dat n GLY 7 N 4.08 1.80 2.95 7.32 0.00 -1.26 -5.16 105.19 114.92 2dat n GLY 7 Ca 0.03 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 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 0.00 0.36 0.02 1.61 1.04 -1.26 -5.13 113.70 110.33 2dat s SER 8 Ca 0.00 -0.23 -0.30 0.00 0.48 0.00 0.00 55.95 55.89 2dat s SER 8 Cb 0.00 0.01 -0.06 0.00 0.10 0.00 0.00 66.02 66.07 2dat s SER 8 CO 0.00 -0.09 1.43 -2.16 0.98 0.00 0.00 173.24 173.40 2dat s PRO 9 N -0.64 4.28 0.38 4.02 0.04 -1.26 -4.84 135.00 136.98 2dat s PRO 9 Ca -0.05 2.02 -0.26 0.00 0.04 0.00 0.00 61.00 62.76 2dat s PRO 9 Cb -0.05 -3.55 -0.09 0.00 0.04 0.00 0.00 34.50 30.86 2dat s PRO 9 CO -0.00 -0.58 1.12 -0.80 0.04 0.00 0.00 177.00 176.78 2dat s ASN 10 N 1.87 6.71 0.98 6.66 0.01 -1.26 -5.03 114.94 124.88 2dat s ASN 10 Ca 0.65 2.25 -0.12 0.00 -0.71 0.00 0.00 52.86 54.93 2dat s ASN 10 Cb -0.33 -2.61 0.18 0.00 0.41 0.00 0.00 41.25 38.90 2dat s ASN 10 CO 0.28 -0.54 1.09 -2.16 -1.51 0.00 0.00 177.10 174.26 2dat s PRO 11 N -2.21 0.56 0.27 -0.60 0.04 -1.26 -4.68 135.00 127.12 2dat s PRO 11 Ca 0.55 0.58 0.05 0.00 0.04 0.00 0.00 61.00 62.22 2dat s PRO 11 Cb -0.28 -1.75 0.37 0.00 0.04 0.00 0.00 34.50 32.88 2dat s PRO 11 CO 0.36 -2.66 1.65 -1.00 0.04 0.00 0.00 177.00 175.39 2dat h PRO 12 N -1.84 0.28 0.00 0.56 0.13 -1.97 0.41 132.00 129.56 2dat h PRO 12 Ca -0.54 -0.15 -0.13 0.00 -0.87 0.00 0.00 66.00 64.32 2dat h PRO 12 Cb 1.32 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.44 2dat h PRO 12 CO 0.57 0.69 -0.61 -0.22 -0.23 0.00 0.00 178.00 178.20 2dat h LYS 13 N 0.23 0.00 0.00 0.86 1.63 -2.00 -2.91 116.57 114.38 2dat h LYS 13 Ca 0.02 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.74 2dat h LYS 13 Cb 0.90 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.52 2dat h LYS 13 CO 0.07 0.61 -0.84 -0.11 -3.45 0.00 0.00 179.45 175.74 2dat n LEU 14 N -3.78 1.84 -0.31 5.20 -0.00 -1.13 -3.34 117.00 115.48 2dat n LEU 14 Ca -0.01 0.54 0.17 0.00 -0.00 0.00 0.00 56.01 56.71 2dat n LEU 14 Cb 0.62 -0.87 0.36 0.00 -0.00 0.00 0.00 43.42 43.52 2dat n LEU 14 CO 0.42 -0.23 0.96 0.74 -0.00 0.00 0.00 177.39 179.28 2dat h THR 15 N -1.00 0.23 0.30 1.96 2.02 -0.33 -0.65 112.91 115.45 2dat h THR 15 Ca -0.11 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 2dat h THR 15 Cb 0.80 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 2dat h THR 15 CO -0.07 0.03 -0.14 0.50 0.37 0.00 0.00 175.52 176.21 2dat h LYS 16 N 0.17 -0.39 -0.88 6.66 1.63 -1.70 -3.05 116.57 119.01 2dat h LYS 16 Ca 0.63 0.03 0.11 0.00 -0.85 0.00 0.00 60.65 60.56 2dat h LYS 16 Cb 1.36 0.09 -0.13 0.00 -0.60 0.00 0.00 32.23 32.95 2dat h LYS 16 CO -0.70 -0.05 -0.43 0.94 -3.45 0.00 0.00 179.45 175.76 2dat n GLN 17 N -5.09 -0.29 0.05 1.90 7.27 -0.30 -0.08 117.38 120.83 2dat n GLN 17 Ca -0.09 1.35 -0.12 0.00 0.07 0.00 0.00 57.00 58.22 2dat n GLN 17 Cb 0.27 -1.99 -0.05 0.00 2.41 0.00 0.00 30.24 30.88 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 -0.43 0.35 3.69 2.86 -1.48 -2.33 114.93 117.60 2dat h MET 18 Ca 0.23 0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.89 2dat h MET 18 Cb 0.45 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.17 2dat h MET 18 CO -0.86 -0.28 -0.50 -0.91 1.06 0.00 0.00 176.91 175.42 2dat h ASN 19 N -0.44 -1.41 -0.96 1.22 2.35 -0.46 -2.17 115.58 113.70 2dat h ASN 19 Ca 0.07 0.13 0.24 0.00 -0.55 0.00 0.00 56.30 56.18 2dat h ASN 19 Cb 0.54 0.49 -0.18 0.00 0.05 0.00 0.00 38.32 39.22 2dat h ASN 19 CO -0.27 -0.61 -0.09 0.00 -1.65 0.00 0.00 177.43 174.81 2dat n ALA 20 N -2.84 0.39 0.28 -0.83 0.00 0.88 0.47 120.51 118.85 2dat n ALA 20 Ca -0.10 1.04 -0.11 0.00 0.00 0.00 0.00 53.44 54.27 2dat n ALA 20 Cb 0.44 -0.71 -0.05 0.00 0.00 0.00 0.00 19.45 19.13 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 0.00 0.32 0.00 2.04 -0.86 -2.74 117.51 116.27 2dat h ILE 21 Ca 0.54 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.39 2dat h ILE 21 Cb 1.00 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 2dat h ILE 21 CO -0.94 0.00 -0.50 0.40 0.00 0.00 0.00 178.15 177.11 2dat h ILE 22 N -0.71 0.00 -0.72 -0.67 1.08 -0.57 -1.66 117.51 114.26 2dat h ILE 22 Ca -0.07 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.56 2dat h ILE 22 Cb 0.55 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 34.16 2dat h ILE 22 CO 0.11 0.00 -0.11 -0.67 -0.69 0.00 0.00 178.15 176.79 2dat n ASP 23 N -5.36 -0.20 0.06 1.72 -0.08 0.18 0.81 116.55 113.67 2dat n ASP 23 Ca -0.10 1.23 -0.13 0.00 -1.51 0.00 0.00 54.79 54.28 2dat n ASP 23 Cb 0.42 -0.40 -0.09 0.00 2.34 0.00 0.00 41.12 43.40 2dat n ASP 23 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 2dat h THR 24 N 0.00 1.05 -0.02 5.18 2.02 -1.10 0.85 112.91 120.88 2dat h THR 24 Ca 0.38 -0.67 0.01 0.00 0.77 0.00 0.00 66.41 66.89 2dat h THR 24 Cb 0.65 1.47 -0.00 0.00 -1.74 0.00 0.00 68.15 68.53 2dat h THR 24 CO -0.72 0.16 0.04 0.58 0.37 0.00 0.00 175.52 175.96 2dat h VAL 25 N -0.47 0.31 0.00 3.16 2.07 0.13 0.73 116.25 122.19 2dat h VAL 25 Ca -0.02 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.31 2dat h VAL 25 Cb 0.38 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 2dat h VAL 25 CO 0.03 0.00 -1.99 -0.38 0.02 0.00 0.00 177.57 175.24 2dat n ILE 26 N -3.53 0.89 -0.72 4.57 5.41 0.18 -4.21 119.36 121.95 2dat n ILE 26 Ca -0.02 -0.70 0.08 0.00 1.00 0.00 0.00 62.75 63.11 2dat n ILE 26 Cb 0.12 -0.39 0.30 0.00 -0.71 0.00 0.00 39.64 38.96 2dat n ILE 26 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 2dat n ASN 27 N -2.63 4.35 -4.80 4.38 0.23 0.29 -4.60 115.26 112.48 2dat n ASN 27 Ca -0.17 -2.65 -0.35 0.00 -0.53 0.00 0.00 54.58 50.88 2dat n ASN 27 Cb 0.88 -0.53 -0.07 0.00 -2.08 0.00 0.00 39.78 37.99 2dat n ASN 27 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 2dat s TYR 28 N -2.19 3.55 0.01 -2.53 5.04 0.24 -4.94 117.35 116.54 2dat s TYR 28 Ca 0.44 1.64 0.00 0.00 -2.44 0.00 0.00 57.07 56.71 2dat s TYR 28 Cb 0.31 -2.83 -0.04 0.00 0.35 0.00 0.00 41.96 39.75 2dat s TYR 28 CO 0.16 0.12 0.10 -1.59 -1.34 0.00 0.00 175.55 173.00 2dat s LYS 29 N -2.45 3.09 -0.12 4.97 -2.85 -1.26 -3.95 119.74 117.17 2dat s LYS 29 Ca 0.53 -0.51 -0.05 0.00 -1.00 0.00 0.00 55.97 54.94 2dat s LYS 29 Cb -0.15 -2.87 -0.03 0.00 -2.06 0.00 0.00 37.83 32.72 2dat s LYS 29 CO 0.20 0.63 -0.01 0.38 0.10 0.00 0.00 175.35 176.65 2dat h ASP 30 N 3.86 0.00 0.00 0.03 2.03 -1.93 -3.47 116.42 116.93 2dat h ASP 30 Ca -0.48 -0.07 0.00 0.00 -0.73 0.00 0.00 57.03 55.74 2dat h ASP 30 Cb 1.18 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 2dat h ASP 30 CO 0.64 0.65 -0.29 -1.54 -1.03 0.00 0.00 179.24 177.67 2dat n SER 31 N -4.71 0.17 0.00 4.15 3.41 -1.26 -5.02 113.62 110.36 2dat n SER 31 Ca -0.04 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 2dat n SER 31 Cb 0.14 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 2dat n SER 31 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dat n SER 32 N -3.04 0.00 -0.50 4.04 7.64 -1.26 -5.02 113.62 115.48 2dat n SER 32 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 2dat n SER 32 Cb 0.15 -0.31 -0.02 0.00 -1.01 0.00 0.00 64.21 63.02 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 1.99 0.07 3.24 0.23 0.00 -1.26 -4.96 105.19 104.49 2dat n GLY 33 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 3.82 -1.03 1.61 0.00 -1.26 -4.96 116.66 114.84 2dat n ARG 34 Ca -0.07 -4.49 -0.36 0.00 -0.00 0.00 0.00 57.85 52.94 2dat n ARG 34 Cb 0.34 -2.54 -0.02 0.00 0.00 0.00 0.00 32.46 30.23 2dat n ARG 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2dat n GLN 35 N 2.27 0.00 0.06 -0.14 10.64 -1.25 -4.47 117.38 124.49 2dat n GLN 35 Ca 0.25 0.00 -0.00 0.00 -1.83 0.00 0.00 57.00 55.41 2dat n GLN 35 Cb 0.37 -0.75 -0.06 0.00 -0.86 0.00 0.00 30.24 28.94 2dat n GLN 35 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 2dat h LEU 36 N 0.81 0.00 -1.25 2.61 4.07 -1.88 -3.31 115.31 116.37 2dat h LEU 36 Ca -0.21 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.75 2dat h LEU 36 Cb 1.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.80 2dat h LEU 36 CO 0.42 0.61 0.29 0.77 -1.08 0.00 0.00 178.44 179.45 2dat h SER 37 N 0.00 0.00 -0.74 -0.43 4.64 -1.82 -1.50 113.55 113.70 2dat h SER 37 Ca -0.11 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.33 2dat h SER 37 Cb 1.56 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.57 2dat h SER 37 CO 0.06 0.00 0.34 -0.33 -0.87 0.00 0.00 176.83 176.03 2dat h GLU 38 N 0.00 0.52 -0.00 4.77 5.08 -1.89 0.42 114.58 123.48 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 0.57 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2dat h GLU 38 CO 0.00 0.34 -0.02 1.33 -1.00 0.00 0.00 179.01 179.67 2dat n VAL 39 N -4.92 0.00 -0.44 3.13 0.24 -0.56 -3.04 118.33 112.73 2dat n VAL 39 Ca 0.13 -0.01 0.05 0.00 -2.04 0.00 0.00 64.34 62.47 2dat n VAL 39 Cb 0.35 -0.42 0.13 0.00 -1.47 0.00 0.00 33.84 32.42 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 -1.16 0.35 0.17 6.34 3.72 0.12 -4.71 117.46 122.30 2dat n PHE 40 Ca 0.16 -0.66 -0.11 0.00 -0.05 0.00 0.00 57.45 56.79 2dat n PHE 40 Cb 0.22 -0.11 -0.06 0.00 -0.94 0.00 0.00 39.48 38.58 2dat n PHE 40 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 2dat h ILE 41 N 1.06 0.39 -4.18 4.37 1.08 -0.79 -2.96 117.51 116.48 2dat h ILE 41 Ca 0.00 -0.71 -0.33 0.00 -0.39 0.00 0.00 64.86 63.44 2dat h ILE 41 Cb 0.86 0.62 -0.07 0.00 -3.07 0.00 0.00 36.82 35.16 2dat h ILE 41 CO 0.05 0.09 -0.26 0.00 -0.69 0.00 0.00 178.15 177.33 2dat n GLN 42 N -5.11 0.89 -4.18 2.37 -0.00 -1.26 -2.88 117.38 107.20 2dat n GLN 42 Ca -0.08 -1.96 -0.12 0.00 -0.00 0.00 0.00 57.00 54.83 2dat n GLN 42 Cb 0.26 0.92 -0.10 0.00 -0.00 0.00 0.00 30.24 31.32 2dat n GLN 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2dat s LEU 43 N 0.00 2.48 0.15 2.61 1.43 -1.26 -4.98 118.68 119.11 2dat s LEU 43 Ca 0.09 -0.94 -0.31 0.00 -1.03 0.00 0.00 54.13 51.94 2dat s LEU 43 Cb 0.00 -0.18 -0.08 0.00 0.03 0.00 0.00 46.19 45.96 2dat s LEU 43 CO 0.06 -0.38 1.33 -2.16 0.23 0.00 0.00 176.35 175.43 2dat s PRO 44 N -3.46 4.36 0.83 1.29 0.04 -1.26 -4.98 135.00 131.82 2dat s PRO 44 Ca 0.10 2.04 -0.15 0.00 0.04 0.00 0.00 61.00 63.03 2dat s PRO 44 Cb 0.02 -3.23 -0.02 0.00 0.04 0.00 0.00 34.50 31.32 2dat s PRO 44 CO -0.02 -0.33 0.39 0.45 0.04 0.00 0.00 177.00 177.53 2dat n SER 45 N 3.27 -1.87 -0.08 6.66 2.88 -1.26 -4.62 113.62 118.60 2dat n SER 45 Ca 0.09 0.46 -0.11 0.00 -1.33 0.00 0.00 58.87 57.98 2dat n SER 45 Cb 0.43 -1.18 -0.04 0.00 -0.75 0.00 0.00 64.21 62.67 2dat n SER 45 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2dat h ARG 46 N -0.89 0.40 -0.72 -1.46 3.08 -1.94 0.54 114.38 113.39 2dat h ARG 46 Ca -0.44 -0.10 0.12 0.00 0.07 0.00 0.00 59.98 59.63 2dat h ARG 46 Cb 1.32 -0.05 -0.09 0.00 0.08 0.00 0.00 29.97 31.23 2dat h ARG 46 CO 0.38 0.51 0.29 -0.22 -1.07 0.00 0.00 179.97 179.87 2dat h LYS 47 N 0.22 0.45 0.25 0.04 3.11 -1.97 0.76 116.57 119.43 2dat h LYS 47 Ca 0.08 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.88 2dat h LYS 47 Cb 0.30 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.43 2dat h LYS 47 CO 0.00 0.30 -0.12 0.93 -2.81 0.00 0.00 179.45 177.75 2dat h GLU 48 N 0.47 -0.32 -2.57 1.90 5.08 -1.88 -3.40 114.58 113.86 2dat h GLU 48 Ca 0.38 0.02 -0.60 0.00 -1.00 0.00 0.00 59.36 58.16 2dat h GLU 48 Cb 0.52 0.07 -0.41 0.00 0.50 0.00 0.00 28.75 29.43 2dat h GLU 48 CO -0.36 -0.01 -0.67 -0.11 -1.00 0.00 0.00 179.01 176.86 2dat n LEU 49 N -5.00 2.69 0.05 1.33 7.94 0.17 -4.91 117.00 119.28 2dat n LEU 49 Ca -0.07 -5.17 -0.05 0.00 -1.11 0.00 0.00 56.01 49.61 2dat n LEU 49 Cb 0.23 -0.46 0.16 0.00 0.53 0.00 0.00 43.42 43.88 2dat n LEU 49 CO 0.20 1.91 0.59 1.55 -1.11 0.00 0.00 177.39 180.54 2dat h PRO 50 N 4.81 0.36 -0.89 1.96 0.13 0.36 -3.09 132.00 135.64 2dat h PRO 50 Ca 0.17 -0.19 0.10 0.00 -0.87 0.00 0.00 66.00 65.21 2dat h PRO 50 Cb 0.74 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.82 2dat h PRO 50 CO 0.70 0.75 0.58 1.05 -0.23 0.00 0.00 178.00 180.85 2dat h GLU 51 N 0.30 0.84 -0.05 0.86 4.11 -1.91 0.11 114.58 118.84 2dat h GLU 51 Ca 0.02 -0.05 0.01 0.00 0.07 0.00 0.00 59.36 59.41 2dat h GLU 51 Cb 0.91 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 2dat h GLU 51 CO 0.08 0.56 0.15 -0.92 0.07 0.00 0.00 179.01 178.95 2dat h TYR 52 N 0.87 0.00 -0.01 2.06 3.20 -1.93 0.44 116.97 121.60 2dat h TYR 52 Ca 0.42 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.29 2dat h TYR 52 Cb 0.44 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.71 2dat h TYR 52 CO -0.00 0.00 -0.57 0.66 -1.64 0.00 0.00 178.16 176.61 2dat n TYR 53 N -3.25 0.00 -0.08 -3.82 4.02 0.37 -3.24 117.16 111.16 2dat n TYR 53 Ca -0.01 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.75 2dat n TYR 53 Cb 0.23 -0.07 -0.08 0.00 -0.02 0.00 0.00 39.34 39.40 2dat n TYR 53 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 2dat h GLU 54 N 1.05 0.00 -0.01 -0.72 5.08 0.05 -3.38 114.58 116.65 2dat h GLU 54 Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 2dat h GLU 54 Cb 0.58 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2dat h GLU 54 CO 0.00 0.61 -0.86 1.37 -1.00 0.00 0.00 179.01 179.13 2dat h LEU 55 N -1.00 0.39 -9.75 1.33 -0.00 -1.69 -3.44 115.31 101.16 2dat h LEU 55 Ca -0.11 -0.30 -0.49 0.00 -0.00 0.00 0.00 57.88 56.97 2dat h LEU 55 Cb 0.81 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 41.34 2dat h LEU 55 CO -0.07 1.08 0.38 -0.63 -0.00 0.00 0.00 178.44 179.20 2dat s ILE 56 N -3.32 3.99 -0.12 0.15 -1.09 -1.20 -5.00 121.20 114.62 2dat s ILE 56 Ca -0.04 1.98 -0.07 0.00 -2.23 0.00 0.00 60.65 60.28 2dat s ILE 56 Cb 0.10 -4.26 -0.05 0.00 -1.58 0.00 0.00 42.46 36.67 2dat s ILE 56 CO 0.84 0.46 0.08 0.03 -1.23 0.00 0.00 174.94 175.12 2dat h ARG 57 N 4.21 0.00 -2.77 2.79 2.47 -1.86 -3.44 114.38 115.77 2dat h ARG 57 Ca -0.45 0.00 -0.60 0.00 -1.26 0.00 0.00 59.98 57.67 2dat h ARG 57 Cb 1.20 0.00 -0.40 0.00 -1.65 0.00 0.00 29.97 29.13 2dat h ARG 57 CO 0.68 0.18 -0.79 0.15 0.56 0.00 0.00 179.97 180.75 2dat s LYS 58 N -1.81 1.27 -0.97 0.04 1.02 -1.26 -5.06 119.74 112.97 2dat s LYS 58 Ca -0.07 -2.17 -0.24 0.00 0.02 0.00 0.00 55.97 53.52 2dat s LYS 58 Cb 0.00 -2.12 -0.06 0.00 -0.52 0.00 0.00 37.83 35.14 2dat s LYS 58 CO 0.16 -1.25 1.95 -1.25 -0.92 0.00 0.00 175.35 174.04 2dat s PRO 59 N 0.07 2.54 0.43 -1.68 0.04 -1.26 -4.83 135.00 130.30 2dat s PRO 59 Ca 0.23 -0.50 0.02 0.00 0.04 0.00 0.00 61.00 60.79 2dat s PRO 59 Cb -0.13 -5.11 -0.00 0.00 0.04 0.00 0.00 34.50 29.30 2dat s PRO 59 CO -0.08 -3.53 0.63 0.54 0.04 0.00 0.00 177.00 174.59 2dat s VAL 60 N 10.34 3.97 0.06 -0.36 0.11 -1.26 -5.05 120.40 128.21 2dat s VAL 60 Ca 0.70 -0.62 0.02 0.00 -2.93 0.00 0.00 61.98 59.15 2dat s VAL 60 Cb -0.05 -3.45 -0.03 0.00 -1.53 0.00 0.00 36.38 31.32 2dat s VAL 60 CO 0.03 -0.28 -0.07 -1.81 -3.33 0.00 0.00 175.10 169.64 2dat s ASP 61 N -4.21 0.90 0.55 3.54 1.11 -1.26 -4.75 116.67 112.54 2dat s ASP 61 Ca 0.48 -0.71 0.27 0.00 0.18 0.00 0.00 52.55 52.76 2dat s ASP 61 Cb -0.10 0.07 1.44 0.00 1.07 0.00 0.00 42.92 45.40 2dat s ASP 61 CO 0.36 -0.31 1.98 -0.26 1.18 0.00 0.00 175.17 178.12 2dat h PHE 62 N 3.96 0.00 0.00 4.23 0.04 -1.47 0.34 116.94 124.04 2dat h PHE 62 Ca -0.35 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.38 2dat h PHE 62 Cb 1.19 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.33 2dat h PHE 62 CO 0.62 0.00 -0.17 0.87 -0.60 0.00 0.00 178.31 179.03 2dat h LYS 63 N 0.00 0.00 0.03 1.51 1.57 -1.80 -2.86 116.57 115.02 2dat h LYS 63 Ca 0.25 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.86 2dat h LYS 63 Cb 1.07 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 2dat h LYS 63 CO -0.00 0.17 -0.92 0.87 -0.57 0.00 0.00 179.45 178.99 2dat h LYS 64 N 0.00 0.06 -1.05 3.15 1.79 -0.65 -3.07 116.57 116.80 2dat h LYS 64 Ca -0.00 -0.10 0.28 0.00 -2.18 0.00 0.00 60.65 58.64 2dat h LYS 64 Cb 0.42 0.04 -0.08 0.00 -1.58 0.00 0.00 32.23 31.03 2dat h LYS 64 CO 0.02 1.05 0.70 0.82 -1.08 0.00 0.00 179.45 180.96 2dat h ILE 65 N -0.83 0.51 0.18 1.86 2.04 -1.37 0.20 117.51 120.11 2dat h ILE 65 Ca -0.23 -0.11 -0.30 0.00 1.00 0.00 0.00 64.86 65.22 2dat h ILE 65 Cb 1.33 0.17 0.02 0.00 -0.74 0.00 0.00 36.82 37.60 2dat h ILE 65 CO -0.08 0.06 -1.35 0.11 0.00 0.00 0.00 178.15 176.88 2dat h LYS 66 N 0.31 0.38 -0.90 2.37 1.79 -1.64 -3.26 116.57 115.63 2dat h LYS 66 Ca 0.58 -0.66 0.16 0.00 -2.18 0.00 0.00 60.65 58.55 2dat h LYS 66 Cb 1.63 0.24 -0.10 0.00 -1.58 0.00 0.00 32.23 32.43 2dat h LYS 66 CO -0.23 1.31 0.49 1.49 -1.08 0.00 0.00 179.45 181.43 2dat h GLU 67 N 0.10 0.65 0.35 3.15 4.81 -0.51 -1.55 114.58 121.60 2dat h GLU 67 Ca -0.19 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 58.99 2dat h GLU 67 Cb 2.06 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 31.29 2dat h GLU 67 CO 0.23 0.43 -0.17 0.00 -0.73 0.00 0.00 179.01 178.78 2dat h ARG 68 N 0.67 -0.46 -0.45 1.92 3.08 -1.53 -1.85 114.38 115.77 2dat h ARG 68 Ca 0.50 0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.65 2dat h ARG 68 Cb 0.71 0.10 -0.10 0.00 0.08 0.00 0.00 29.97 30.77 2dat h ARG 68 CO -0.37 -0.16 -0.40 0.82 -1.07 0.00 0.00 179.97 178.79 2dat h ILE 69 N -0.76 0.14 -0.22 2.04 2.04 -1.45 0.34 117.51 119.64 2dat h ILE 69 Ca -0.05 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.83 2dat h ILE 69 Cb 0.51 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 2dat h ILE 69 CO 0.08 0.00 0.15 0.08 0.00 0.00 0.00 178.15 178.46 2dat h ARG 70 N -0.28 0.21 -0.72 2.37 0.11 -1.34 0.20 114.38 114.93 2dat h ARG 70 Ca 0.16 -0.01 -0.03 0.00 0.10 0.00 0.00 59.98 60.20 2dat h ARG 70 Cb 0.57 -0.05 -0.02 0.00 1.11 0.00 0.00 29.97 31.59 2dat h ARG 70 CO -0.59 0.14 0.03 0.09 0.10 0.00 0.00 179.97 179.74 2dat n ASN 71 N -4.50 4.40 -2.30 0.08 3.02 0.92 -4.89 115.26 111.99 2dat n ASN 71 Ca 0.01 -2.71 0.00 0.00 -0.03 0.00 0.00 54.58 51.85 2dat n ASN 71 Cb 0.14 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 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 0.38 -1.84 0.18 3.10 8.25 0.37 -4.78 115.22 120.88 2dat n HIS 72 Ca 0.22 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.60 2dat n HIS 72 Cb 0.97 -0.96 -0.04 0.00 1.12 0.00 0.00 29.99 31.09 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 0.00 -0.46 -5.36 -0.41 3.11 -1.17 -3.42 116.57 108.85 2dat h LYS 73 Ca 0.00 0.03 -0.56 0.00 -2.81 0.00 0.00 60.65 57.31 2dat h LYS 73 Cb 0.88 0.11 0.14 0.00 -1.00 0.00 0.00 32.23 32.35 2dat h LYS 73 CO 0.00 -0.31 -0.82 0.66 -2.81 0.00 0.00 179.45 176.18 2dat n TYR 74 N -3.76 -1.76 -0.03 1.91 4.01 -1.26 -4.90 117.16 111.37 2dat n TYR 74 Ca -0.06 0.59 -0.14 0.00 -0.16 0.00 0.00 57.90 58.12 2dat n TYR 74 Cb 0.19 -1.60 -0.14 0.00 -0.31 0.00 0.00 39.34 37.48 2dat n TYR 74 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 2dat n ARG 75 N 1.17 0.69 -3.54 -0.72 0.63 -1.26 -4.97 116.66 108.65 2dat n ARG 75 Ca 0.11 0.23 -0.12 0.00 -0.92 0.00 0.00 57.85 57.15 2dat n ARG 75 Cb 0.34 -1.70 -0.05 0.00 0.45 0.00 0.00 32.46 31.51 2dat n ARG 75 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2dat s SER 76 N -6.41 -0.46 0.27 6.15 1.04 -1.26 -5.02 113.70 108.01 2dat s SER 76 Ca -0.15 0.40 0.10 0.00 0.48 0.00 0.00 55.95 56.78 2dat s SER 76 Cb 0.07 0.39 0.87 0.00 0.10 0.00 0.00 66.02 67.46 2dat s SER 76 CO 0.78 -0.49 1.26 -0.11 0.98 0.00 0.00 173.24 175.66 2dat n LEU 77 N 0.55 0.11 -0.35 2.42 7.94 -1.26 0.42 117.00 126.84 2dat n LEU 77 Ca -0.13 1.34 0.10 0.00 -1.11 0.00 0.00 56.01 56.21 2dat n LEU 77 Cb 0.59 -0.58 0.21 0.00 0.53 0.00 0.00 43.42 44.17 2dat n LEU 77 CO 0.17 -1.44 0.73 1.23 -1.11 0.00 0.00 177.39 176.97 2dat h GLY 78 N 0.00 0.96 0.94 -3.96 0.00 -2.01 0.30 103.07 99.30 2dat h GLY 78 Ca 0.59 0.25 0.01 0.00 0.00 0.00 0.00 47.33 48.17 2dat h GLY 78 CO -0.68 -0.44 0.02 -0.55 0.00 0.00 0.00 176.54 174.90 2dat h ASP 79 N 0.00 0.02 -0.28 0.19 3.32 -0.45 -3.02 116.42 116.21 2dat h ASP 79 Ca 0.53 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.62 2dat h ASP 79 Cb 0.96 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.47 2dat h ASP 79 CO -0.97 0.02 -0.30 0.25 -1.72 0.00 0.00 179.24 176.53 2dat h LEU 80 N 0.06 -1.02 -0.53 1.55 5.85 -0.47 -2.35 115.31 118.40 2dat h LEU 80 Ca 0.03 0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.94 2dat h LEU 80 Cb 0.02 0.42 -0.07 0.00 0.37 0.00 0.00 40.66 41.40 2dat h LEU 80 CO -0.04 -0.20 -0.37 -0.08 -0.34 0.00 0.00 178.44 177.42 2dat h GLU 81 N -0.17 -0.07 -0.79 1.25 4.81 -1.44 0.24 114.58 118.41 2dat h GLU 81 Ca 0.05 0.00 0.20 0.00 -0.13 0.00 0.00 59.36 59.48 2dat h GLU 81 Cb 0.29 0.02 -0.15 0.00 0.63 0.00 0.00 28.75 29.54 2dat h GLU 81 CO -0.35 -0.05 -0.06 1.63 -0.73 0.00 0.00 179.01 179.45 2dat n LYS 82 N -4.42 -0.07 -0.03 1.92 5.02 -0.92 0.63 118.16 120.30 2dat n LYS 82 Ca 0.00 1.20 -0.13 0.00 -2.02 0.00 0.00 58.31 57.36 2dat n LYS 82 Cb 0.18 -1.86 -0.10 0.00 -0.02 0.00 0.00 35.03 33.23 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 0.06 -0.30 4.39 5.19 -0.27 -2.47 116.42 123.03 2dat h ASP 83 Ca 0.44 -0.55 0.07 0.00 -0.62 0.00 0.00 57.03 56.37 2dat h ASP 83 Cb 0.84 -0.02 -0.08 0.00 0.18 0.00 0.00 39.33 40.25 2dat h ASP 83 CO -0.77 0.60 -0.32 0.58 -3.12 0.00 0.00 179.24 176.22 2dat h VAL 84 N -0.48 0.26 0.00 -1.35 2.07 0.32 0.19 116.25 117.26 2dat h VAL 84 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2dat h VAL 84 Cb 0.59 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 2dat h VAL 84 CO 0.01 0.00 -0.11 0.24 0.02 0.00 0.00 177.57 177.73 2dat h MET 85 N -0.30 0.00 0.17 1.57 2.86 -0.78 -2.87 114.93 115.58 2dat h MET 85 Ca 0.14 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 2dat h MET 85 Cb 0.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.19 2dat h MET 85 CO -0.46 0.11 -0.08 1.25 1.06 0.00 0.00 176.91 178.78 2dat h LEU 86 N 0.00 -0.20 -1.22 1.22 7.12 -0.27 0.19 115.31 122.15 2dat h LEU 86 Ca -0.00 -0.30 0.24 0.00 0.13 0.00 0.00 57.88 57.95 2dat h LEU 86 Cb 0.20 0.05 -0.10 0.00 -0.53 0.00 0.00 40.66 40.28 2dat h LEU 86 CO 0.01 0.23 0.63 0.25 -0.13 0.00 0.00 178.44 179.44 2dat h LEU 87 N -0.67 0.57 0.02 2.25 6.46 -0.61 0.57 115.31 123.90 2dat h LEU 87 Ca -0.02 0.09 -0.00 0.00 -0.12 0.00 0.00 57.88 57.83 2dat h LEU 87 Cb 0.49 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.42 2dat h LEU 87 CO 0.04 0.14 -0.01 0.00 -0.62 0.00 0.00 178.44 177.99 2dat h HIS 89 N -0.89 -0.84 -1.02 0.00 -0.00 -0.08 0.73 115.15 113.05 2dat h HIS 89 Ca -0.00 0.05 0.25 0.00 -0.00 0.00 0.00 60.37 60.66 2dat h HIS 89 Cb 0.74 0.42 -0.09 0.00 -0.00 0.00 0.00 27.41 28.48 2dat h HIS 89 CO 0.19 -0.37 0.65 -0.91 -0.00 0.00 0.00 177.93 177.49 2dat h ASN 90 N -0.29 0.48 0.60 3.26 2.35 -1.05 -2.04 115.58 118.89 2dat h ASN 90 Ca 0.15 0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.95 2dat h ASN 90 Cb 0.52 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.90 2dat h ASN 90 CO -0.46 0.12 -0.29 0.00 -1.65 0.00 0.00 177.43 175.15 2dat h ALA 91 N 1.62 -1.18 -1.13 -0.83 0.00 -0.88 -2.70 119.26 114.15 2dat h ALA 91 Ca 0.58 -0.18 0.32 0.00 0.00 0.00 0.00 54.91 55.63 2dat h ALA 91 Cb 1.39 0.31 -0.10 0.00 0.00 0.00 0.00 17.79 19.40 2dat h ALA 91 CO -0.29 -1.12 0.74 1.96 0.00 0.00 0.00 179.25 180.54 2dat h GLN 92 N -0.83 0.25 -0.61 0.00 4.20 -1.04 0.74 115.11 117.83 2dat h GLN 92 Ca -0.08 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 2dat h GLN 92 Cb 0.62 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.31 2dat h GLN 92 CO 0.13 0.17 0.30 1.15 -0.67 0.00 0.00 178.83 179.91 2dat h THR 93 N 0.26 1.20 0.00 -0.54 2.02 -1.15 -3.32 112.91 111.38 2dat h THR 93 Ca 0.65 -0.54 -0.04 0.00 0.77 0.00 0.00 66.41 67.25 2dat h THR 93 Cb 1.88 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.70 2dat h THR 93 CO -0.28 0.23 -0.77 0.33 0.37 0.00 0.00 175.52 175.40 2dat n PHE 94 N -4.36 0.68 -1.73 3.16 7.35 0.20 -4.93 117.46 117.83 2dat n PHE 94 Ca 0.06 0.29 -0.42 0.00 -0.76 0.00 0.00 57.45 56.61 2dat n PHE 94 Cb 0.12 -0.74 -0.02 0.00 0.35 0.00 0.00 39.48 39.19 2dat n PHE 94 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2dat n ASN 95 N -4.55 3.56 -4.71 -2.13 3.02 0.18 -4.94 115.26 105.69 2dat n ASN 95 Ca -0.13 1.15 -0.35 0.00 -0.03 0.00 0.00 54.58 55.23 2dat n ASN 95 Cb 0.39 -1.55 0.10 0.00 -0.61 0.00 0.00 39.78 38.11 2dat n ASN 95 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2dat s LEU 96 N -0.36 3.30 1.08 3.41 1.98 -1.26 -4.63 118.68 122.20 2dat s LEU 96 Ca 0.65 2.42 -0.14 0.00 -2.89 0.00 0.00 54.13 54.17 2dat s LEU 96 Cb -0.53 -4.60 0.23 0.00 0.66 0.00 0.00 46.19 41.95 2dat s LEU 96 CO 0.49 -2.37 1.08 -1.61 -1.89 0.00 0.00 176.35 172.05 2dat s GLU 97 N -3.88 -0.26 -0.17 1.98 2.02 -1.26 -3.30 118.70 113.83 2dat s GLU 97 Ca 0.76 0.46 -0.02 0.00 0.02 0.00 0.00 54.97 56.18 2dat s GLU 97 Cb -0.31 -1.66 0.02 0.00 0.10 0.00 0.00 34.13 32.28 2dat s GLU 97 CO 0.46 -3.18 0.05 0.41 0.02 0.00 0.00 175.26 173.02 2dat n GLY 98 N -0.62 -0.36 3.33 -1.39 0.00 -1.26 -4.84 105.19 100.05 2dat n GLY 98 Ca 0.06 0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.91 2dat n GLY 98 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dat n SER 99 N -1.18 1.65 0.27 1.61 2.88 -1.21 -4.96 113.62 112.68 2dat n SER 99 Ca 0.01 -2.23 -0.15 0.00 -1.33 0.00 0.00 58.87 55.17 2dat n SER 99 Cb 0.37 -0.41 -0.08 0.00 -0.75 0.00 0.00 64.21 63.34 2dat n SER 99 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 2dat h GLN 100 N 0.00 -0.66 -0.15 -1.46 5.75 -1.88 -3.09 115.11 113.62 2dat h GLN 100 Ca -0.24 0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.28 2dat h GLN 100 Cb 1.06 0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.75 2dat h GLN 100 CO 0.32 -0.36 -0.00 0.82 -2.65 0.00 0.00 178.83 176.97 2dat h ILE 101 N -0.94 1.25 0.00 2.39 2.04 -1.96 -3.28 117.51 117.01 2dat h ILE 101 Ca -0.07 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 64.95 2dat h ILE 101 Cb 0.61 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 2dat h ILE 101 CO 0.11 0.25 0.00 0.00 0.00 0.00 0.00 178.15 178.51 2dat n TYR 102 N -4.75 0.00 -0.32 1.37 9.36 -1.24 0.70 117.16 122.27 2dat n TYR 102 Ca -0.05 0.00 0.31 0.00 3.32 0.00 0.00 57.90 61.47 2dat n TYR 102 Cb 0.21 -0.45 0.57 0.00 -0.63 0.00 0.00 39.34 39.05 2dat n TYR 102 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 2dat h GLU 103 N 0.00 0.00 0.58 2.98 4.39 -1.63 0.32 114.58 121.22 2dat h GLU 103 Ca 0.00 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 2dat h GLU 103 Cb 0.00 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2dat h GLU 103 CO 0.00 0.00 -0.28 -0.44 -1.16 0.00 0.00 179.01 177.13 2dat h ASP 104 N 0.00 -0.66 -1.17 1.42 3.32 0.21 -2.15 116.42 117.39 2dat h ASP 104 Ca 0.83 0.00 0.37 0.00 0.02 0.00 0.00 57.03 58.25 2dat h ASP 104 Cb 2.17 0.17 -0.13 0.00 0.22 0.00 0.00 39.33 41.77 2dat h ASP 104 CO -0.78 -0.44 0.73 0.77 -1.72 0.00 0.00 179.24 177.80 2dat h SER 105 N -0.83 0.36 -0.08 6.45 4.64 0.92 0.84 113.55 125.85 2dat h SER 105 Ca -0.08 0.14 -0.19 0.00 -0.47 0.00 0.00 61.79 61.19 2dat h SER 105 Cb 0.61 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 2dat h SER 105 CO 0.13 -0.11 -0.66 0.40 -0.87 0.00 0.00 176.83 175.72 2dat h ILE 106 N 0.21 1.30 0.60 0.95 5.03 -1.16 -3.30 117.51 121.14 2dat h ILE 106 Ca 0.74 -1.90 -0.03 0.00 -0.12 0.00 0.00 64.86 63.56 2dat h ILE 106 Cb 2.09 1.86 0.01 0.00 -3.03 0.00 0.00 36.82 37.74 2dat h ILE 106 CO -0.44 0.60 -0.29 0.58 -0.68 0.00 0.00 178.15 177.92 2dat h VAL 107 N 0.51 0.33 -0.80 1.67 2.07 0.13 -3.10 116.25 117.06 2dat h VAL 107 Ca -0.02 -0.25 0.19 0.00 0.82 0.00 0.00 66.70 67.45 2dat h VAL 107 Cb 1.25 0.41 -0.15 0.00 -1.52 0.00 0.00 31.29 31.28 2dat h VAL 107 CO 0.13 0.03 -0.07 0.18 0.02 0.00 0.00 177.57 177.86 2dat n LEU 108 N -5.37 -0.17 0.02 2.57 4.77 -0.41 0.63 117.00 119.04 2dat n LEU 108 Ca -0.12 1.36 -0.11 0.00 -0.03 0.00 0.00 56.01 57.11 2dat n LEU 108 Cb 0.35 -0.46 -0.05 0.00 -2.33 0.00 0.00 43.42 40.93 2dat n LEU 108 CO 0.33 -1.35 0.63 1.56 -1.33 0.00 0.00 177.39 177.24 2dat h GLN 109 N 0.00 -0.43 -0.87 3.23 4.20 -1.62 0.58 115.11 120.21 2dat h GLN 109 Ca 0.44 0.03 0.20 0.00 0.06 0.00 0.00 58.65 59.38 2dat h GLN 109 Cb 0.82 0.10 -0.06 0.00 0.30 0.00 0.00 27.48 28.64 2dat h GLN 109 CO -0.78 -0.28 0.58 1.03 -0.67 0.00 0.00 178.83 178.71 2dat h SER 110 N -0.44 0.37 -0.17 1.46 0.87 0.16 -0.49 113.55 115.31 2dat h SER 110 Ca 0.08 0.04 -0.11 0.00 -1.23 0.00 0.00 61.79 60.56 2dat h SER 110 Cb 0.57 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 2dat h SER 110 CO -0.34 0.16 -0.34 0.58 -0.53 0.00 0.00 176.83 176.36 2dat h VAL 111 N 0.38 1.34 0.02 2.23 2.07 -0.46 -3.19 116.25 118.64 2dat h VAL 111 Ca 0.45 -1.58 0.01 0.00 0.82 0.00 0.00 66.70 66.40 2dat h VAL 111 Cb 1.14 1.93 -0.03 0.00 -1.52 0.00 0.00 31.29 32.81 2dat h VAL 111 CO -0.15 0.48 -0.34 0.15 0.02 0.00 0.00 177.57 177.72 2dat h PHE 112 N 0.18 -1.01 0.00 1.57 3.57 0.72 -0.66 116.94 121.31 2dat h PHE 112 Ca 0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2dat h PHE 112 Cb 0.93 0.44 0.00 0.00 2.79 0.00 0.00 35.95 40.11 2dat h PHE 112 CO 0.09 -0.37 0.00 1.63 -2.23 0.00 0.00 178.31 177.43 2dat n LYS 113 N -4.39 0.00 -0.32 1.11 5.02 -1.07 -1.25 118.16 117.26 2dat n LYS 113 Ca -0.05 0.79 0.12 0.00 -2.02 0.00 0.00 58.31 57.14 2dat n LYS 113 Cb 0.26 -1.40 0.23 0.00 -0.02 0.00 0.00 35.03 34.10 2dat n LYS 113 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2dat n SER 114 N -2.40 -0.16 -0.35 4.39 7.64 -1.19 0.20 113.62 121.75 2dat n SER 114 Ca 0.00 1.55 0.06 0.00 1.01 0.00 0.00 58.87 61.49 2dat n SER 114 Cb 0.00 -0.54 0.22 0.00 -1.01 0.00 0.00 64.21 62.88 2dat n SER 114 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dat h ALA 115 N 1.81 1.44 -0.13 -0.43 0.00 0.30 -0.46 119.26 121.79 2dat h ALA 115 Ca 0.52 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.34 2dat h ALA 115 Cb 1.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2dat h ALA 115 CO -0.87 0.20 -0.44 -0.09 0.00 0.00 0.00 179.25 178.05 2dat h ARG 116 N 0.96 0.32 0.97 0.00 9.65 0.34 -3.27 114.38 123.35 2dat h ARG 116 Ca 0.47 -0.16 -0.05 0.00 -1.10 0.00 0.00 59.98 59.15 2dat h ARG 116 Cb 0.45 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.05 2dat h ARG 116 CO -0.26 0.70 -0.48 1.96 2.80 0.00 0.00 179.97 184.69 2dat h GLN 117 N 0.26 -1.28 -6.35 0.20 1.08 -0.02 -3.44 115.11 105.56 2dat h GLN 117 Ca 0.02 0.09 -0.49 0.00 -1.45 0.00 0.00 58.65 56.82 2dat h GLN 117 Cb 0.88 0.29 0.24 0.00 -0.05 0.00 0.00 27.48 28.84 2dat h GLN 117 CO 0.07 -0.85 -1.75 0.45 -0.95 0.00 0.00 178.83 175.80 2dat n SER 118 N -5.66 -3.01 0.00 1.46 2.88 -0.96 -4.68 113.62 103.64 2dat n SER 118 Ca -0.17 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 2dat n SER 118 Cb 0.53 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 2dat n SER 118 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dat n GLY 119 N 2.70 0.87 0.27 0.46 0.00 -1.26 -4.87 105.19 103.36 2dat n GLY 119 Ca -0.00 -0.24 0.16 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 -5.70 1.61 0.13 -1.97 -3.41 132.00 122.66 2dat h PRO 120 Ca 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.83 2dat h PRO 120 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 2dat h PRO 120 CO 0.00 0.05 0.82 0.45 -0.23 0.00 0.00 178.00 179.10 2dat s SER 121 N -5.80 4.88 0.00 1.44 0.15 -1.26 -4.49 113.70 108.62 2dat s SER 121 Ca 0.01 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.50 2dat s SER 121 Cb 0.10 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 2dat s SER 121 CO 0.56 -2.88 0.00 -0.24 1.20 0.00 0.00 173.24 171.88 2dat n SER 122 N 14.73 3.07 0.00 5.45 2.88 -1.26 -5.08 113.62 133.41 2dat n SER 122 Ca 0.36 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 2dat n SER 122 Cb 0.48 0.23 0.00 0.00 -0.75 0.00 0.00 64.21 64.17 2dat n SER 122 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42