#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 4.51 -0.28 1.61 0.01 -1.26 -5.07 113.70 113.22 2dat s SER 2 Ca 0.00 -0.68 -0.24 0.00 1.31 0.00 0.00 55.95 56.34 2dat s SER 2 Cb 0.00 -1.74 0.11 0.00 0.21 0.00 0.00 66.02 64.60 2dat s SER 2 CO 0.00 -0.11 0.96 -0.94 0.41 0.00 0.00 173.24 173.56 2dat s SER 3 N 1.42 -0.53 0.20 2.44 1.04 -1.26 -5.18 113.70 111.83 2dat s SER 3 Ca 0.03 0.99 0.02 0.00 0.48 0.00 0.00 55.95 57.46 2dat s SER 3 Cb -0.16 1.04 -0.05 0.00 0.10 0.00 0.00 66.02 66.95 2dat s SER 3 CO -0.02 -0.17 0.02 -0.83 0.98 0.00 0.00 173.24 173.21 2dat s GLY 4 N 0.44 1.40 0.51 7.32 0.00 -1.26 -5.17 107.32 110.57 2dat s GLY 4 Ca 0.01 -1.68 0.04 0.00 0.00 0.00 0.00 44.72 43.08 2dat s GLY 4 CO -0.07 -1.58 0.71 -1.35 0.00 0.00 0.00 173.10 170.82 2dat s SER 5 N -3.23 5.37 0.09 1.64 1.04 -1.26 -5.13 113.70 112.23 2dat s SER 5 Ca 0.27 -0.18 0.06 0.00 0.48 0.00 0.00 55.95 56.58 2dat s SER 5 Cb 0.06 -0.75 -0.03 0.00 0.10 0.00 0.00 66.02 65.40 2dat s SER 5 CO 0.07 -1.04 -0.15 -0.44 0.98 0.00 0.00 173.24 172.66 2dat s SER 6 N -4.41 1.88 0.11 7.02 0.01 -1.26 -5.05 113.70 112.00 2dat s SER 6 Ca 0.57 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 57.14 2dat s SER 6 Cb -0.10 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.06 2dat s SER 6 CO 0.37 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.55 2dat n GLY 7 N 1.02 -4.48 3.77 3.44 0.00 -1.26 -4.92 105.19 102.75 2dat n GLY 7 Ca -0.19 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.33 6.75 0.67 1.61 1.04 -1.26 -5.00 113.70 117.18 2dat s SER 8 Ca 0.00 2.68 -0.15 0.00 0.48 0.00 0.00 55.95 58.96 2dat s SER 8 Cb 0.00 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.48 2dat s SER 8 CO 0.00 -0.55 1.11 -2.16 0.98 0.00 0.00 173.24 172.62 2dat s PRO 9 N -1.82 2.76 0.41 4.02 0.04 -1.26 -4.95 135.00 134.19 2dat s PRO 9 Ca 0.49 1.38 -0.24 0.00 0.04 0.00 0.00 61.00 62.68 2dat s PRO 9 Cb -0.39 -1.95 -0.12 0.00 0.04 0.00 0.00 34.50 32.08 2dat s PRO 9 CO 0.52 -1.28 0.74 0.09 0.04 0.00 0.00 177.00 177.11 2dat n ASN 10 N -2.49 -0.02 -4.77 6.66 4.13 -1.26 -4.94 115.26 112.58 2dat n ASN 10 Ca 0.10 0.98 -0.31 0.00 1.68 0.00 0.00 54.58 57.03 2dat n ASN 10 Cb 0.52 -1.20 0.09 0.00 -1.54 0.00 0.00 39.78 37.65 2dat n ASN 10 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2dat s PRO 11 N -1.72 2.22 0.21 3.52 0.04 -1.26 -4.82 135.00 133.19 2dat s PRO 11 Ca 0.63 1.17 0.22 0.00 0.04 0.00 0.00 61.00 63.06 2dat s PRO 11 Cb -0.61 -1.89 0.91 0.00 0.04 0.00 0.00 34.50 32.95 2dat s PRO 11 CO 0.57 -1.67 1.66 -0.35 0.04 0.00 0.00 177.00 177.26 2dat n PRO 12 N -3.54 0.16 0.06 0.56 -0.04 -1.26 -1.55 135.00 129.38 2dat n PRO 12 Ca 0.09 0.39 -0.21 0.00 -0.04 0.00 0.00 63.50 63.74 2dat n PRO 12 Cb 0.53 -1.80 -0.15 0.00 -0.04 0.00 0.00 33.50 32.04 2dat n PRO 12 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2dat h LYS 13 N 0.00 0.32 0.01 0.54 1.57 -1.99 -3.19 116.57 113.82 2dat h LYS 13 Ca 0.00 -0.55 -0.00 0.00 -1.87 0.00 0.00 60.65 58.23 2dat h LYS 13 Cb 0.34 0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2dat h LYS 13 CO 0.00 1.22 -0.00 1.25 -0.57 0.00 0.00 179.45 181.34 2dat h LEU 14 N 0.09 -0.01 -0.20 2.94 5.85 -1.90 -3.25 115.31 118.83 2dat h LEU 14 Ca -0.33 -0.57 0.06 0.00 0.84 0.00 0.00 57.88 57.87 2dat h LEU 14 Cb 2.07 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 43.03 2dat h LEU 14 CO 0.16 0.78 -0.24 0.74 -0.34 0.00 0.00 178.44 179.53 2dat h THR 15 N -0.99 0.40 -0.35 1.05 2.02 -1.49 -2.67 112.91 110.87 2dat h THR 15 Ca -0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 2dat h THR 15 Cb 0.58 0.40 -0.07 0.00 -1.74 0.00 0.00 68.15 67.32 2dat h THR 15 CO 0.00 0.00 -0.52 0.50 0.37 0.00 0.00 175.52 175.87 2dat h LYS 16 N -0.27 -0.38 -0.96 6.66 3.64 -1.71 -1.36 116.57 122.20 2dat h LYS 16 Ca 0.12 0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.67 2dat h LYS 16 Cb 0.46 0.09 -0.15 0.00 -0.41 0.00 0.00 32.23 32.21 2dat h LYS 16 CO -0.36 -0.25 -0.41 0.37 -2.27 0.00 0.00 179.45 176.53 2dat h GLN 17 N -0.39 -0.02 -0.37 1.90 4.15 -1.51 0.33 115.11 119.20 2dat h GLN 17 Ca 0.06 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.56 2dat h GLN 17 Cb 0.57 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.18 2dat h GLN 17 CO -0.54 -0.01 -0.18 0.52 -1.93 0.00 0.00 178.83 176.69 2dat h MET 18 N -0.02 -0.11 0.94 1.69 2.86 -1.04 -2.50 114.93 116.76 2dat h MET 18 Ca 0.32 0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.92 2dat h MET 18 Cb 0.57 0.02 0.01 0.00 0.06 0.00 0.00 31.60 32.27 2dat h MET 18 CO -0.95 -0.07 -0.45 -0.91 1.06 0.00 0.00 176.91 175.58 2dat h ASN 19 N -0.11 -1.07 -0.73 1.22 2.35 0.17 -2.80 115.58 114.61 2dat h ASN 19 Ca 0.19 0.04 0.24 0.00 -0.55 0.00 0.00 56.30 56.21 2dat h ASN 19 Cb 0.40 0.28 -0.13 0.00 0.05 0.00 0.00 38.32 38.91 2dat h ASN 19 CO -0.44 -0.75 0.14 0.00 -1.65 0.00 0.00 177.43 174.73 2dat n ALA 20 N -2.66 0.50 -0.27 -0.83 0.00 0.81 0.01 120.51 118.06 2dat n ALA 20 Ca -0.16 0.77 0.00 0.00 0.00 0.00 0.00 53.44 54.05 2dat n ALA 20 Cb 0.50 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.32 2dat n ALA 20 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2dat n ILE 21 N -4.89 0.00 -0.26 0.00 5.41 -0.97 -2.96 119.36 115.70 2dat n ILE 21 Ca 0.21 1.08 -0.06 0.00 1.00 0.00 0.00 62.75 64.98 2dat n ILE 21 Cb 0.69 -2.00 -0.01 0.00 -0.71 0.00 0.00 39.64 37.61 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 0.09 -0.91 1.39 1.08 -0.96 0.65 117.51 118.86 2dat h ILE 22 Ca 0.00 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.65 2dat h ILE 22 Cb 0.00 0.09 -0.17 0.00 -3.07 0.00 0.00 36.82 33.67 2dat h ILE 22 CO 0.00 0.00 -0.24 -0.67 -0.69 0.00 0.00 178.15 176.55 2dat n ASP 23 N -5.42 -0.35 0.32 1.72 2.03 0.10 -0.16 116.55 114.78 2dat n ASP 23 Ca 0.05 1.57 -0.14 0.00 0.52 0.00 0.00 54.79 56.78 2dat n ASP 23 Cb 0.36 -0.46 -0.07 0.00 -0.72 0.00 0.00 41.12 40.23 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 0.10 -0.34 5.18 2.02 -0.79 -1.63 112.91 117.45 2dat h THR 24 Ca 0.42 -0.37 0.04 0.00 0.77 0.00 0.00 66.41 67.28 2dat h THR 24 Cb 0.65 0.14 -0.06 0.00 -1.74 0.00 0.00 68.15 67.14 2dat h THR 24 CO -0.93 0.02 -0.42 0.58 0.37 0.00 0.00 175.52 175.13 2dat h VAL 25 N -1.17 0.00 -0.90 3.16 2.07 -0.19 0.18 116.25 119.39 2dat h VAL 25 Ca -0.09 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.58 2dat h VAL 25 Cb 0.67 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.35 2dat h VAL 25 CO 0.14 0.00 0.50 0.40 0.02 0.00 0.00 177.57 178.63 2dat h ILE 26 N -0.28 0.76 -1.64 4.57 2.04 -0.66 -1.24 117.51 121.07 2dat h ILE 26 Ca 0.06 -0.24 -0.73 0.00 1.00 0.00 0.00 64.86 64.94 2dat h ILE 26 Cb 0.44 -0.01 -0.28 0.00 -0.74 0.00 0.00 36.82 36.23 2dat h ILE 26 CO -0.47 0.13 0.94 0.59 0.00 0.00 0.00 178.15 179.35 2dat n ASN 27 N -4.81 7.50 -4.84 1.72 3.02 -0.10 -4.38 115.26 113.38 2dat n ASN 27 Ca 0.18 -3.82 -0.28 0.00 -0.03 0.00 0.00 54.58 50.63 2dat n ASN 27 Cb 0.44 -1.02 -0.05 0.00 -0.61 0.00 0.00 39.78 38.54 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 -3.98 3.27 -0.09 3.10 6.14 0.43 -4.82 117.35 121.39 2dat s TYR 28 Ca 0.56 0.06 0.00 0.00 0.64 0.00 0.00 57.07 58.34 2dat s TYR 28 Cb 0.46 -1.60 -0.02 0.00 0.42 0.00 0.00 41.96 41.22 2dat s TYR 28 CO -0.27 0.53 -0.09 -1.59 0.64 0.00 0.00 175.55 174.76 2dat s LYS 29 N -2.88 3.01 -0.23 4.97 -2.85 -1.26 -4.22 119.74 116.28 2dat s LYS 29 Ca 0.32 -0.61 -0.18 0.00 -1.00 0.00 0.00 55.97 54.50 2dat s LYS 29 Cb -0.11 -2.61 -0.15 0.00 -2.06 0.00 0.00 37.83 32.90 2dat s LYS 29 CO 0.25 0.48 -0.03 -0.40 0.10 0.00 0.00 175.35 175.75 2dat n ASP 30 N 2.77 1.89 0.05 0.03 5.68 -1.22 -4.89 116.55 120.86 2dat n ASP 30 Ca -0.18 0.40 0.00 0.00 -0.50 0.00 0.00 54.79 54.52 2dat n ASP 30 Cb 0.53 -0.90 0.00 0.00 -1.14 0.00 0.00 41.12 39.60 2dat n ASP 30 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 2dat n SER 31 N -4.38 0.22 -3.39 -1.12 2.88 -1.26 -4.97 113.62 101.60 2dat n SER 31 Ca -0.38 0.16 -0.27 0.00 -1.33 0.00 0.00 58.87 57.05 2dat n SER 31 Cb 0.72 0.02 -0.08 0.00 -0.75 0.00 0.00 64.21 64.13 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 -2.99 3.87 -2.63 -3.46 7.64 -1.26 -4.85 113.62 109.94 2dat n SER 32 Ca 0.00 -3.47 -0.14 0.00 1.01 0.00 0.00 58.87 56.27 2dat n SER 32 Cb 0.00 -0.67 -0.00 0.00 -1.01 0.00 0.00 64.21 62.53 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 0.76 -0.50 3.71 0.23 0.00 -1.26 -4.90 105.19 103.24 2dat n GLY 33 Ca 0.30 0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.92 2dat n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dat s ARG 34 N -5.23 4.55 -0.53 1.61 1.81 -1.26 -4.88 118.95 115.02 2dat s ARG 34 Ca 0.08 1.49 -0.21 0.00 -1.72 0.00 0.00 55.73 55.38 2dat s ARG 34 Cb -0.04 -3.43 0.06 0.00 -0.45 0.00 0.00 34.95 31.09 2dat s ARG 34 CO 0.10 -0.06 0.75 -1.14 -0.68 0.00 0.00 175.30 174.27 2dat s GLN 35 N 0.90 3.18 0.07 3.54 0.74 -1.26 -3.45 119.66 123.38 2dat s GLN 35 Ca 0.53 -0.71 -0.19 0.00 0.05 0.00 0.00 55.36 55.03 2dat s GLN 35 Cb -0.23 -4.10 -0.10 0.00 1.10 0.00 0.00 33.01 29.68 2dat s GLN 35 CO 0.29 -1.36 1.47 -0.07 -0.55 0.00 0.00 175.29 175.07 2dat h LEU 36 N 10.22 0.39 -1.10 3.68 3.38 -1.83 -2.83 115.31 127.23 2dat h LEU 36 Ca -0.27 -0.35 0.22 0.00 0.09 0.00 0.00 57.88 57.57 2dat h LEU 36 Cb 1.09 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 2dat h LEU 36 CO 1.02 0.65 1.04 0.77 0.09 0.00 0.00 178.44 182.02 2dat h SER 37 N 0.13 0.00 0.00 -0.43 4.64 -1.86 -2.60 113.55 113.43 2dat h SER 37 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2dat h SER 37 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2dat h SER 37 CO 0.02 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.36 2dat n GLU 38 N -3.21 0.00 0.17 4.77 1.02 -1.07 0.23 120.64 122.55 2dat n GLU 38 Ca 0.17 0.82 0.12 0.00 -0.02 0.00 0.00 57.16 58.26 2dat n GLU 38 Cb 1.28 -1.24 0.60 0.00 -0.02 0.00 0.00 31.44 32.07 2dat n GLU 38 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 2dat h VAL 39 N 0.00 0.00 -0.48 2.62 -1.51 -1.73 -0.36 116.25 114.79 2dat h VAL 39 Ca 0.00 -0.08 -0.02 0.00 -1.23 0.00 0.00 66.70 65.38 2dat h VAL 39 Cb 0.00 0.67 -0.01 0.00 -2.13 0.00 0.00 31.29 29.82 2dat h VAL 39 CO 0.00 0.00 0.02 0.49 -1.23 0.00 0.00 177.57 176.85 2dat n PHE 40 N -2.33 1.72 -0.01 5.19 3.72 0.62 -4.61 117.46 121.76 2dat n PHE 40 Ca -0.01 -0.82 -0.00 0.00 -0.05 0.00 0.00 57.45 56.57 2dat n PHE 40 Cb 0.10 -0.46 -0.00 0.00 -0.94 0.00 0.00 39.48 38.17 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 3.15 0.00 -4.06 4.37 1.08 0.22 -1.90 117.51 120.37 2dat h ILE 41 Ca 0.02 -0.22 -0.69 0.00 -0.39 0.00 0.00 64.86 63.58 2dat h ILE 41 Cb 1.83 0.00 -0.23 0.00 -3.07 0.00 0.00 36.82 35.34 2dat h ILE 41 CO 0.42 0.00 -0.86 -1.58 -0.69 0.00 0.00 178.15 175.44 2dat s GLN 42 N -1.20 1.70 0.19 2.37 -0.44 -1.26 -3.47 119.66 117.56 2dat s GLN 42 Ca -0.02 -1.18 0.02 0.00 -2.50 0.00 0.00 55.36 51.68 2dat s GLN 42 Cb 0.00 -2.00 -0.04 0.00 -1.64 0.00 0.00 33.01 29.34 2dat s GLN 42 CO 0.02 0.49 0.35 -0.51 0.50 0.00 0.00 175.29 176.14 2dat s LEU 43 N -1.65 4.28 0.52 3.68 1.43 -1.26 -5.00 118.68 120.67 2dat s LEU 43 Ca 0.14 0.24 -0.21 0.00 -1.03 0.00 0.00 54.13 53.28 2dat s LEU 43 Cb -0.10 -3.01 -0.06 0.00 0.03 0.00 0.00 46.19 43.05 2dat s LEU 43 CO 0.05 -0.02 1.14 -2.16 0.23 0.00 0.00 176.35 175.59 2dat s PRO 44 N -3.46 3.48 -0.05 1.29 0.04 -1.26 -4.95 135.00 130.08 2dat s PRO 44 Ca 0.36 1.66 -0.30 0.00 0.04 0.00 0.00 61.00 62.76 2dat s PRO 44 Cb -0.11 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 2dat s PRO 44 CO 0.29 -0.76 1.65 0.45 0.04 0.00 0.00 177.00 178.67 2dat s SER 45 N -1.65 6.67 0.32 6.66 0.15 -1.26 -4.84 113.70 119.76 2dat s SER 45 Ca 0.70 2.23 0.09 0.00 0.70 0.00 0.00 55.95 59.67 2dat s SER 45 Cb -0.25 -2.53 0.96 0.00 -1.71 0.00 0.00 66.02 62.48 2dat s SER 45 CO 0.29 -0.92 1.61 -0.09 1.20 0.00 0.00 173.24 175.33 2dat h ARG 46 N 9.49 0.10 -0.52 5.44 1.12 -1.93 0.47 114.38 128.54 2dat h ARG 46 Ca -0.39 -0.01 0.10 0.00 -1.11 0.00 0.00 59.98 58.58 2dat h ARG 46 Cb 1.18 -0.02 -0.09 0.00 -0.01 0.00 0.00 29.97 31.02 2dat h ARG 46 CO 0.95 0.06 -0.06 -0.22 -3.11 0.00 0.00 179.97 177.60 2dat h LYS 47 N 0.10 0.06 -0.07 0.20 3.64 -1.96 1.08 116.57 119.61 2dat h LYS 47 Ca 0.68 -0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.95 2dat h LYS 47 Cb 1.55 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 33.36 2dat h LYS 47 CO -0.77 0.04 -0.38 0.93 -2.27 0.00 0.00 179.45 177.00 2dat h GLU 48 N 0.06 0.38 -2.55 1.90 4.39 -0.56 -3.39 114.58 114.80 2dat h GLU 48 Ca 0.26 -0.31 -0.60 0.00 0.34 0.00 0.00 59.36 59.04 2dat h GLU 48 Cb 0.40 0.07 -0.41 0.00 -0.10 0.00 0.00 28.75 28.71 2dat h GLU 48 CO -0.48 0.96 -0.75 -0.11 -1.16 0.00 0.00 179.01 177.47 2dat n LEU 49 N -4.37 1.94 -0.10 1.33 7.94 0.13 -4.94 117.00 118.93 2dat n LEU 49 Ca -0.08 -4.99 -0.13 0.00 -1.11 0.00 0.00 56.01 49.70 2dat n LEU 49 Cb 0.53 -0.22 -0.04 0.00 0.53 0.00 0.00 43.42 44.23 2dat n LEU 49 CO 0.43 1.89 0.57 1.55 -1.11 0.00 0.00 177.39 180.72 2dat h PRO 50 N 4.97 0.75 -0.87 1.96 0.13 0.99 -3.20 132.00 136.73 2dat h PRO 50 Ca 0.18 -0.40 0.22 0.00 -0.87 0.00 0.00 66.00 65.14 2dat h PRO 50 Cb 0.79 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 31.80 2dat h PRO 50 CO 0.62 1.02 0.30 1.05 -0.23 0.00 0.00 178.00 180.76 2dat h GLU 51 N 0.51 0.28 -1.00 0.86 4.11 -1.92 0.45 114.58 117.87 2dat h GLU 51 Ca 0.05 -0.02 0.24 0.00 0.07 0.00 0.00 59.36 59.70 2dat h GLU 51 Cb 0.88 -0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.98 2dat h GLU 51 CO 0.08 0.18 0.65 -0.92 0.07 0.00 0.00 179.01 179.07 2dat h TYR 52 N 0.29 0.63 0.00 2.06 3.20 -1.93 0.70 116.97 121.91 2dat h TYR 52 Ca 0.55 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.42 2dat h TYR 52 Cb 1.07 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 39.15 2dat h TYR 52 CO -0.21 0.10 -0.23 1.88 -1.64 0.00 0.00 178.16 178.06 2dat h TYR 53 N 0.42 0.00 0.31 -3.82 -1.99 -0.27 -2.46 116.97 109.16 2dat h TYR 53 Ca 0.55 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 61.27 2dat h TYR 53 Cb 1.37 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.10 2dat h TYR 53 CO -0.00 0.09 -0.15 0.93 -0.00 0.00 0.00 178.16 179.02 2dat h GLU 54 N 0.00 -0.40 -0.23 4.88 5.08 0.93 -3.32 114.58 121.52 2dat h GLU 54 Ca -0.00 0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.20 2dat h GLU 54 Cb 1.07 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2dat h GLU 54 CO 0.01 -0.07 -0.57 1.37 -1.00 0.00 0.00 179.01 178.75 2dat h LEU 55 N -0.90 0.90 -9.62 1.33 -0.00 -1.52 -3.44 115.31 102.07 2dat h LEU 55 Ca -0.04 -0.57 -0.52 0.00 -0.00 0.00 0.00 57.88 56.75 2dat h LEU 55 Cb 0.52 -0.26 0.01 0.00 -0.00 0.00 0.00 40.66 40.93 2dat h LEU 55 CO 0.07 1.30 0.51 -0.63 -0.00 0.00 0.00 178.44 179.69 2dat s ILE 56 N -4.00 3.83 -0.11 0.15 -1.09 -0.92 -4.98 121.20 114.08 2dat s ILE 56 Ca -0.11 1.51 -0.06 0.00 -2.23 0.00 0.00 60.65 59.76 2dat s ILE 56 Cb 0.09 -3.97 -0.05 0.00 -1.58 0.00 0.00 42.46 36.95 2dat s ILE 56 CO 0.88 0.23 0.14 0.03 -1.23 0.00 0.00 174.94 174.98 2dat h ARG 57 N 5.48 0.00 -2.99 2.79 2.47 -1.85 -3.44 114.38 116.84 2dat h ARG 57 Ca -0.44 0.00 -0.61 0.00 -1.26 0.00 0.00 59.98 57.67 2dat h ARG 57 Cb 1.21 0.00 -0.40 0.00 -1.65 0.00 0.00 29.97 29.13 2dat h ARG 57 CO 0.75 0.20 -0.72 0.15 0.56 0.00 0.00 179.97 180.91 2dat s LYS 58 N -1.73 1.57 -0.93 0.04 1.02 -1.26 -5.06 119.74 113.39 2dat s LYS 58 Ca -0.05 -2.37 -0.24 0.00 0.02 0.00 0.00 55.97 53.33 2dat s LYS 58 Cb -0.00 -2.58 -0.05 0.00 -0.52 0.00 0.00 37.83 34.68 2dat s LYS 58 CO 0.15 -1.21 1.95 -1.25 -0.92 0.00 0.00 175.35 174.07 2dat s PRO 59 N -0.13 2.55 0.32 -1.68 0.04 -1.26 -4.81 135.00 130.02 2dat s PRO 59 Ca 0.21 -0.38 0.08 0.00 0.04 0.00 0.00 61.00 60.95 2dat s PRO 59 Cb -0.17 -5.08 -0.04 0.00 0.04 0.00 0.00 34.50 29.25 2dat s PRO 59 CO -0.06 -3.44 0.16 0.54 0.04 0.00 0.00 177.00 174.25 2dat s VAL 60 N 10.18 3.39 0.24 -0.36 0.11 -1.26 -5.04 120.40 127.65 2dat s VAL 60 Ca 0.70 -1.61 0.03 0.00 -2.93 0.00 0.00 61.98 58.17 2dat s VAL 60 Cb -0.06 -3.06 -0.01 0.00 -1.53 0.00 0.00 36.38 31.72 2dat s VAL 60 CO 0.01 -0.23 0.25 0.47 -3.33 0.00 0.00 175.10 172.27 2dat n ASP 61 N -1.17 -0.66 0.21 3.54 9.92 -1.26 -4.56 116.55 122.58 2dat n ASP 61 Ca -0.04 -2.47 0.15 0.00 -0.53 0.00 0.00 54.79 51.90 2dat n ASP 61 Cb 0.60 1.39 0.58 0.00 -0.64 0.00 0.00 41.12 43.05 2dat n ASP 61 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 2dat h PHE 62 N 1.74 0.00 0.00 1.24 0.04 -1.45 -1.92 116.94 116.59 2dat h PHE 62 Ca -0.17 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.44 2dat h PHE 62 Cb 0.84 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.97 2dat h PHE 62 CO 0.00 0.00 -0.77 0.87 -0.60 0.00 0.00 178.31 177.81 2dat h LYS 63 N 0.00 0.00 0.10 1.51 1.57 -1.80 -3.14 116.57 114.81 2dat h LYS 63 Ca 0.00 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.47 2dat h LYS 63 Cb 0.50 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2dat h LYS 63 CO 0.00 0.77 -1.63 0.87 -0.57 0.00 0.00 179.45 178.89 2dat h LYS 64 N 0.00 0.21 -0.26 3.15 6.56 -1.79 -3.24 116.57 121.20 2dat h LYS 64 Ca -0.01 -0.36 0.06 0.00 -1.06 0.00 0.00 60.65 59.29 2dat h LYS 64 Cb 1.50 0.13 -0.07 0.00 -0.57 0.00 0.00 32.23 33.23 2dat h LYS 64 CO 0.10 1.17 -0.18 0.82 -2.06 0.00 0.00 179.45 179.30 2dat h ILE 65 N -0.29 0.49 0.54 1.86 2.04 -1.47 -2.42 117.51 118.27 2dat h ILE 65 Ca -0.36 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.47 2dat h ILE 65 Cb 1.79 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 2dat h ILE 65 CO 0.02 0.00 -0.27 0.11 0.00 0.00 0.00 178.15 178.01 2dat h LYS 66 N -0.17 -0.71 -0.91 2.37 1.57 -1.73 -3.01 116.57 113.99 2dat h LYS 66 Ca 0.14 0.05 0.14 0.00 -1.87 0.00 0.00 60.65 59.11 2dat h LYS 66 Cb 0.39 0.16 -0.15 0.00 0.08 0.00 0.00 32.23 32.71 2dat h LYS 66 CO -0.36 -0.47 -0.34 0.39 -0.57 0.00 0.00 179.45 178.09 2dat n GLU 67 N -5.41 -0.20 -0.17 3.15 1.02 -1.04 0.67 120.64 118.66 2dat n GLU 67 Ca -0.12 1.40 -0.02 0.00 -0.02 0.00 0.00 57.16 58.40 2dat n GLU 67 Cb 0.31 -2.07 0.06 0.00 -0.02 0.00 0.00 31.44 29.71 2dat n GLU 67 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dat h ARG 68 N 0.00 0.06 0.05 3.49 3.08 -1.31 0.25 114.38 120.00 2dat h ARG 68 Ca 0.32 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 2dat h ARG 68 Cb 0.55 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 2dat h ARG 68 CO -0.90 0.04 -0.22 0.82 -1.07 0.00 0.00 179.97 178.64 2dat h ILE 69 N 0.06 0.00 0.00 2.04 2.04 0.31 0.42 117.51 122.38 2dat h ILE 69 Ca 0.26 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.12 2dat h ILE 69 Cb 0.41 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 2dat h ILE 69 CO -0.49 0.00 0.00 -2.11 0.00 0.00 0.00 178.15 175.55 2dat n ARG 70 N -3.67 0.08 -0.03 2.37 -4.01 -0.95 -0.40 116.66 110.05 2dat n ARG 70 Ca -0.03 0.53 0.13 0.00 -1.04 0.00 0.00 57.85 57.43 2dat n ARG 70 Cb 0.17 -1.72 0.44 0.00 -3.04 0.00 0.00 32.46 28.30 2dat n ARG 70 CO 0.00 0.00 0.00 0.09 -3.04 0.00 0.00 177.63 174.68 2dat n ASN 71 N -1.88 1.74 -3.35 2.89 3.02 0.86 -4.93 115.26 113.61 2dat n ASN 71 Ca -0.00 -1.61 -0.24 0.00 -0.03 0.00 0.00 54.58 52.69 2dat n ASN 71 Cb 0.05 -0.03 0.03 0.00 -0.61 0.00 0.00 39.78 39.22 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 0.36 -2.16 -0.12 3.10 8.25 0.47 -4.89 115.22 120.23 2dat n HIS 72 Ca 0.18 0.67 -0.25 0.00 -0.26 0.00 0.00 57.72 58.05 2dat n HIS 72 Cb 0.38 -4.18 -0.11 0.00 1.12 0.00 0.00 29.99 27.20 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 -4.26 0.58 -1.66 -0.41 4.76 -0.71 -4.84 118.16 111.61 2dat n LYS 73 Ca -0.04 0.44 -0.54 0.00 -2.87 0.00 0.00 58.31 55.29 2dat n LYS 73 Cb 0.58 -1.64 -0.07 0.00 -1.84 0.00 0.00 35.03 32.06 2dat n LYS 73 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2dat n TYR 74 N -4.33 2.04 0.03 2.13 4.01 -1.26 -4.85 117.16 114.94 2dat n TYR 74 Ca -0.42 0.37 -0.16 0.00 -0.16 0.00 0.00 57.90 57.54 2dat n TYR 74 Cb 0.78 -2.52 -0.05 0.00 -0.31 0.00 0.00 39.34 37.24 2dat n TYR 74 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2dat h ARG 75 N 8.50 0.61 -3.66 -0.72 2.47 -1.98 -3.48 114.38 116.13 2dat h ARG 75 Ca -0.43 -0.57 -0.09 0.00 -1.26 0.00 0.00 59.98 57.63 2dat h ARG 75 Cb 1.31 0.14 -0.08 0.00 -1.65 0.00 0.00 29.97 29.69 2dat h ARG 75 CO 0.97 1.18 -0.09 0.45 0.56 0.00 0.00 179.97 183.05 2dat s SER 76 N -7.12 0.08 0.37 7.04 0.15 -1.26 -5.04 113.70 107.91 2dat s SER 76 Ca -0.08 -1.03 0.07 0.00 0.70 0.00 0.00 55.95 55.60 2dat s SER 76 Cb 0.09 0.63 0.72 0.00 -1.71 0.00 0.00 66.02 65.74 2dat s SER 76 CO 0.89 -1.22 1.92 0.25 1.20 0.00 0.00 173.24 176.28 2dat h LEU 77 N 2.20 0.39 -0.69 3.45 5.85 -1.94 -2.80 115.31 121.77 2dat h LEU 77 Ca -0.27 -0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.46 2dat h LEU 77 Cb 1.25 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 42.12 2dat h LEU 77 CO 0.36 0.46 0.37 1.23 -0.34 0.00 0.00 178.44 180.52 2dat h GLY 78 N 0.74 1.02 0.44 3.75 0.00 -2.01 -1.97 103.07 105.05 2dat h GLY 78 Ca 0.09 -0.25 0.10 0.00 0.00 0.00 0.00 47.33 47.27 2dat h GLY 78 CO 0.01 0.13 0.42 -0.55 0.00 0.00 0.00 176.54 176.54 2dat h ASP 79 N 0.67 0.56 -0.26 0.19 5.19 -1.91 -2.01 116.42 118.86 2dat h ASP 79 Ca 0.32 0.06 0.05 0.00 -0.62 0.00 0.00 57.03 56.84 2dat h ASP 79 Cb 0.24 -0.04 -0.04 0.00 0.18 0.00 0.00 39.33 39.67 2dat h ASP 79 CO -0.21 0.30 -0.03 0.25 -3.12 0.00 0.00 179.24 176.43 2dat h LEU 80 N 0.68 -0.17 -0.39 1.55 5.85 -1.43 -2.64 115.31 118.76 2dat h LEU 80 Ca 0.39 0.07 0.08 0.00 0.84 0.00 0.00 57.88 59.26 2dat h LEU 80 Cb 0.42 0.13 -0.09 0.00 0.37 0.00 0.00 40.66 41.49 2dat h LEU 80 CO -0.28 -0.05 -0.33 -0.08 -0.34 0.00 0.00 178.44 177.35 2dat h GLU 81 N 0.04 -0.25 -0.68 1.25 4.57 -1.22 0.12 114.58 118.40 2dat h GLU 81 Ca 0.12 0.02 0.11 0.00 -1.18 0.00 0.00 59.36 58.44 2dat h GLU 81 Cb 0.18 0.06 -0.12 0.00 -0.16 0.00 0.00 28.75 28.70 2dat h GLU 81 CO -0.24 -0.17 -0.35 0.87 -1.18 0.00 0.00 179.01 177.94 2dat h LYS 82 N -0.26 -0.12 0.36 1.92 1.79 -1.32 0.17 116.57 119.11 2dat h LYS 82 Ca 0.17 0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.63 2dat h LYS 82 Cb 0.54 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 2dat h LYS 82 CO -0.53 -0.08 -0.17 -0.44 -1.08 0.00 0.00 179.45 177.14 2dat h ASP 83 N -0.13 -0.41 -0.53 0.86 5.19 -1.16 -1.87 116.42 118.38 2dat h ASP 83 Ca 0.26 -0.04 0.10 0.00 -0.62 0.00 0.00 57.03 56.72 2dat h ASP 83 Cb 0.56 0.11 -0.11 0.00 0.18 0.00 0.00 39.33 40.07 2dat h ASP 83 CO -0.75 -0.22 -0.34 0.58 -3.12 0.00 0.00 179.24 175.39 2dat h VAL 84 N -0.58 0.19 0.00 -1.35 2.07 0.27 0.48 116.25 117.32 2dat h VAL 84 Ca -0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 2dat h VAL 84 Cb 0.43 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2dat h VAL 84 CO 0.08 0.00 -0.02 0.24 0.02 0.00 0.00 177.57 177.90 2dat h MET 85 N -0.20 0.00 0.32 1.57 2.86 -0.65 -2.78 114.93 116.05 2dat h MET 85 Ca 0.21 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.83 2dat h MET 85 Cb 0.55 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.21 2dat h MET 85 CO -0.63 0.02 -0.15 1.25 1.06 0.00 0.00 176.91 178.45 2dat h LEU 86 N 0.00 -0.36 -1.24 1.22 7.12 0.74 -1.72 115.31 121.07 2dat h LEU 86 Ca -0.00 -0.18 0.31 0.00 0.13 0.00 0.00 57.88 58.14 2dat h LEU 86 Cb 0.03 0.09 -0.12 0.00 -0.53 0.00 0.00 40.66 40.13 2dat h LEU 86 CO 0.00 0.02 0.67 0.25 -0.13 0.00 0.00 178.44 179.26 2dat h LEU 87 N -0.79 0.46 0.28 2.25 6.46 -0.83 -0.81 115.31 122.33 2dat h LEU 87 Ca -0.04 0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 57.83 2dat h LEU 87 Cb 0.51 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.51 2dat h LEU 87 CO 0.07 -0.01 -0.13 0.00 -0.62 0.00 0.00 178.44 177.74 2dat h HIS 89 N -1.00 -1.72 -1.81 0.00 -0.00 -0.30 0.47 115.15 110.80 2dat h HIS 89 Ca -0.04 0.09 0.52 0.00 -0.00 0.00 0.00 60.37 60.94 2dat h HIS 89 Cb 0.46 0.81 -0.07 0.00 -0.00 0.00 0.00 27.41 28.61 2dat h HIS 89 CO 0.04 -0.48 1.38 -0.91 -0.00 0.00 0.00 177.93 177.96 2dat h ASN 90 N -0.36 0.00 0.40 3.26 2.35 -1.33 0.15 115.58 120.06 2dat h ASN 90 Ca 0.08 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 2dat h ASN 90 Cb 0.57 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.95 2dat h ASN 90 CO -0.63 0.00 -0.19 0.00 -1.65 0.00 0.00 177.43 174.96 2dat h ALA 91 N 0.95 -0.67 -0.09 -0.83 0.00 -0.13 -2.74 119.26 115.75 2dat h ALA 91 Ca 0.86 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.68 2dat h ALA 91 Cb 3.60 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 21.60 2dat h ALA 91 CO -0.01 -0.63 0.22 1.96 0.00 0.00 0.00 179.25 180.78 2dat h GLN 92 N -0.90 0.00 0.00 0.00 4.20 -0.63 0.70 115.11 118.49 2dat h GLN 92 Ca -0.06 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.51 2dat h GLN 92 Cb 0.42 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 2dat h GLN 92 CO 0.09 0.00 -0.70 1.15 -0.67 0.00 0.00 178.83 178.71 2dat h THR 93 N 0.00 1.37 0.00 -0.54 2.02 -1.15 -3.39 112.91 111.22 2dat h THR 93 Ca 0.04 -2.49 -0.08 0.00 0.77 0.00 0.00 66.41 64.66 2dat h THR 93 Cb 0.47 2.39 -0.01 0.00 -1.74 0.00 0.00 68.15 69.27 2dat h THR 93 CO -0.00 0.68 -1.12 0.33 0.37 0.00 0.00 175.52 175.78 2dat n PHE 94 N -3.52 0.00 -2.14 3.16 7.35 0.65 -4.98 117.46 117.97 2dat n PHE 94 Ca -0.00 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.28 2dat n PHE 94 Cb 0.73 -0.49 -0.02 0.00 0.35 0.00 0.00 39.48 40.04 2dat n PHE 94 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 2dat s ASN 95 N -6.16 6.81 1.06 -2.13 0.01 0.21 -5.00 114.94 109.75 2dat s ASN 95 Ca -0.26 2.62 -0.13 0.00 -0.71 0.00 0.00 52.86 54.38 2dat s ASN 95 Cb 0.05 -2.64 0.21 0.00 0.41 0.00 0.00 41.25 39.28 2dat s ASN 95 CO 0.36 -0.52 0.47 0.18 -1.51 0.00 0.00 177.10 176.09 2dat n LEU 96 N 1.18 0.00 -4.91 0.60 4.32 -1.26 -4.51 117.00 112.42 2dat n LEU 96 Ca 0.01 -0.48 -0.27 0.00 -0.02 0.00 0.00 56.01 55.25 2dat n LEU 96 Cb 0.42 -0.69 0.04 0.00 -1.62 0.00 0.00 43.42 41.56 2dat n LEU 96 CO 0.59 -2.36 0.60 -1.61 -1.22 0.00 0.00 177.39 173.38 2dat s GLU 97 N -3.65 2.85 -0.30 3.23 2.02 -1.26 -4.01 118.70 117.57 2dat s GLU 97 Ca 0.36 0.10 -0.04 0.00 0.02 0.00 0.00 54.97 55.41 2dat s GLU 97 Cb -0.06 -2.20 0.04 0.00 0.10 0.00 0.00 34.13 32.01 2dat s GLU 97 CO 0.31 -0.83 0.10 0.41 0.02 0.00 0.00 175.26 175.26 2dat n GLY 98 N -2.72 -0.34 3.98 -1.39 0.00 -1.26 -4.84 105.19 98.62 2dat n GLY 98 Ca 0.05 0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.69 5.79 0.24 1.61 0.15 -1.26 -4.85 113.70 113.70 2dat s SER 99 Ca 0.14 -0.12 -0.13 0.00 0.70 0.00 0.00 55.95 56.53 2dat s SER 99 Cb -0.08 -1.13 0.32 0.00 -1.71 0.00 0.00 66.02 63.42 2dat s SER 99 CO 0.17 -0.64 1.57 1.56 1.20 0.00 0.00 173.24 177.09 2dat h GLN 100 N 0.64 -0.02 -0.04 5.44 1.08 -1.92 0.15 115.11 120.44 2dat h GLN 100 Ca -0.44 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.75 2dat h GLN 100 Cb 1.27 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.70 2dat h GLN 100 CO 0.52 -0.01 -0.01 0.82 -0.95 0.00 0.00 178.83 179.19 2dat h ILE 101 N -0.02 1.30 -0.37 2.54 1.08 -1.94 -2.99 117.51 117.11 2dat h ILE 101 Ca 0.38 -0.94 0.03 0.00 -0.39 0.00 0.00 64.86 63.95 2dat h ILE 101 Cb 0.63 1.86 -0.05 0.00 -3.07 0.00 0.00 36.82 36.19 2dat h ILE 101 CO -0.91 0.25 -0.25 0.22 -0.69 0.00 0.00 178.15 176.77 2dat h TYR 102 N -0.29 -0.78 -0.33 1.37 3.20 -1.22 0.47 116.97 119.39 2dat h TYR 102 Ca 0.01 0.05 0.07 0.00 3.14 0.00 0.00 58.73 62.00 2dat h TYR 102 Cb 0.41 0.39 -0.08 0.00 1.54 0.00 0.00 36.73 38.99 2dat h TYR 102 CO 0.06 -0.17 -0.34 0.93 -1.64 0.00 0.00 178.16 177.00 2dat h GLU 103 N -0.03 -0.29 -0.83 1.82 5.08 -1.39 -0.67 114.58 118.25 2dat h GLU 103 Ca 0.06 0.02 0.21 0.00 -1.00 0.00 0.00 59.36 58.65 2dat h GLU 103 Cb 0.19 0.07 -0.14 0.00 0.50 0.00 0.00 28.75 29.36 2dat h GLU 103 CO -0.37 -0.19 0.07 -0.44 -1.00 0.00 0.00 179.01 177.08 2dat h ASP 104 N -0.30 -0.29 -0.61 1.42 3.32 -1.05 0.31 116.42 119.22 2dat h ASP 104 Ca 0.15 0.21 0.01 0.00 0.02 0.00 0.00 57.03 57.42 2dat h ASP 104 Cb 0.55 0.35 -0.03 0.00 0.22 0.00 0.00 39.33 40.42 2dat h ASP 104 CO -0.49 -0.21 0.40 0.77 -1.72 0.00 0.00 179.24 177.99 2dat h SER 105 N 0.11 0.67 -0.70 6.45 4.64 0.56 -1.05 113.55 124.22 2dat h SER 105 Ca 0.48 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.77 2dat h SER 105 Cb 0.92 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.81 2dat h SER 105 CO -0.71 0.48 0.36 0.40 -0.87 0.00 0.00 176.83 176.49 2dat h ILE 106 N 0.80 1.23 0.46 0.95 5.03 0.18 -3.11 117.51 123.05 2dat h ILE 106 Ca 0.23 -0.60 -0.02 0.00 -0.12 0.00 0.00 64.86 64.35 2dat h ILE 106 Cb -0.05 0.33 0.00 0.00 -3.03 0.00 0.00 36.82 34.07 2dat h ILE 106 CO -0.07 0.26 -0.22 0.58 -0.68 0.00 0.00 178.15 178.02 2dat h VAL 107 N 0.98 0.53 -0.94 1.67 2.07 -0.61 -2.99 116.25 116.95 2dat h VAL 107 Ca 0.25 -0.25 0.30 0.00 0.82 0.00 0.00 66.70 67.82 2dat h VAL 107 Cb 0.08 0.64 -0.17 0.00 -1.52 0.00 0.00 31.29 30.32 2dat h VAL 107 CO -0.04 0.04 0.17 0.18 0.02 0.00 0.00 177.57 177.95 2dat n LEU 108 N -5.29 0.03 0.17 2.57 4.77 -0.44 0.22 117.00 119.02 2dat n LEU 108 Ca -0.11 1.59 -0.14 0.00 -0.03 0.00 0.00 56.01 57.32 2dat n LEU 108 Cb 0.29 -0.64 -0.07 0.00 -2.33 0.00 0.00 43.42 40.67 2dat n LEU 108 CO 0.34 -1.66 0.66 1.56 -1.33 0.00 0.00 177.39 176.96 2dat h GLN 109 N 0.00 -0.57 -0.26 3.23 4.20 -1.46 0.86 115.11 121.11 2dat h GLN 109 Ca 0.64 0.04 0.08 0.00 0.06 0.00 0.00 58.65 59.47 2dat h GLN 109 Cb 1.48 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 29.38 2dat h GLN 109 CO -0.84 -0.38 0.38 0.77 -0.67 0.00 0.00 178.83 178.09 2dat h SER 110 N -0.60 0.00 0.06 1.46 0.02 -0.22 -0.94 113.55 113.33 2dat h SER 110 Ca 0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 2dat h SER 110 Cb 0.57 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.11 2dat h SER 110 CO -0.10 0.00 -0.71 0.58 -1.14 0.00 0.00 176.83 175.47 2dat h VAL 111 N 0.00 1.42 -0.25 2.27 2.07 -0.53 -3.17 116.25 118.06 2dat h VAL 111 Ca 0.12 -2.37 0.05 0.00 0.82 0.00 0.00 66.70 65.32 2dat h VAL 111 Cb 0.88 3.00 -0.05 0.00 -1.52 0.00 0.00 31.29 33.61 2dat h VAL 111 CO -0.00 0.60 -0.06 0.15 0.02 0.00 0.00 177.57 178.28 2dat h PHE 112 N -0.71 -0.14 0.39 1.57 3.04 0.42 0.40 116.94 121.91 2dat h PHE 112 Ca -0.16 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.80 2dat h PHE 112 Cb 1.36 0.10 -0.01 0.00 2.56 0.00 0.00 35.95 39.97 2dat h PHE 112 CO 0.20 -0.11 -0.29 0.87 -2.02 0.00 0.00 178.31 176.95 2dat h LYS 113 N -0.00 -0.63 -0.98 1.11 6.56 -1.50 0.52 116.57 121.64 2dat h LYS 113 Ca 0.12 0.04 0.16 0.00 -1.06 0.00 0.00 60.65 59.91 2dat h LYS 113 Cb 0.19 0.14 -0.09 0.00 -0.57 0.00 0.00 32.23 31.90 2dat h LYS 113 CO -0.26 -0.42 0.61 1.03 -2.06 0.00 0.00 179.45 178.36 2dat h SER 114 N -0.65 0.79 -0.26 0.86 0.87 -1.50 -1.03 113.55 112.62 2dat h SER 114 Ca -0.05 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2dat h SER 114 Cb 0.54 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 2dat h SER 114 CO 0.02 0.35 0.16 0.00 -0.53 0.00 0.00 176.83 176.83 2dat h ALA 115 N 1.60 0.33 0.76 6.23 0.00 0.12 -2.93 119.26 125.37 2dat h ALA 115 Ca 0.52 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.35 2dat h ALA 115 Cb 0.75 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.44 2dat h ALA 115 CO -0.30 -0.17 -0.38 -0.09 0.00 0.00 0.00 179.25 178.31 2dat h ARG 116 N 0.33 -1.01 -0.92 0.00 2.43 0.37 -3.11 114.38 112.46 2dat h ARG 116 Ca 0.09 0.07 0.11 0.00 -0.81 0.00 0.00 59.98 59.44 2dat h ARG 116 Cb 0.01 0.23 -0.13 0.00 -0.42 0.00 0.00 29.97 29.66 2dat h ARG 116 CO -0.02 -0.67 -0.46 0.94 -1.51 0.00 0.00 179.97 178.25 2dat n GLN 117 N -5.55 -0.32 -3.74 0.20 0.00 -0.73 -4.65 117.38 102.59 2dat n GLN 117 Ca -0.14 1.41 -0.13 0.00 -0.00 0.00 0.00 57.00 58.13 2dat n GLN 117 Cb 0.43 -2.08 -0.08 0.00 0.00 0.00 0.00 30.24 28.51 2dat n GLN 117 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 2dat s SER 118 N -5.40 -0.20 1.16 1.69 1.04 -1.11 -5.13 113.70 105.75 2dat s SER 118 Ca -0.12 0.01 -0.19 0.00 0.48 0.00 0.00 55.95 56.13 2dat s SER 118 Cb 0.14 0.35 0.28 0.00 0.10 0.00 0.00 66.02 66.89 2dat s SER 118 CO 0.61 -0.53 1.19 -0.83 0.98 0.00 0.00 173.24 174.66 2dat s GLY 119 N -1.63 1.66 0.83 7.32 0.00 -1.25 -4.33 107.32 109.92 2dat s GLY 119 Ca -0.10 -1.14 -0.11 0.00 0.00 0.00 0.00 44.72 43.37 2dat s GLY 119 CO 0.01 -0.24 1.09 2.56 0.00 0.00 0.00 173.10 176.53 2dat s PRO 120 N -5.64 1.83 -0.27 2.90 0.04 -1.26 -5.04 135.00 127.56 2dat s PRO 120 Ca 0.73 1.02 -0.27 0.00 0.04 0.00 0.00 61.00 62.53 2dat s PRO 120 Cb -0.06 -1.86 0.16 0.00 0.04 0.00 0.00 34.50 32.78 2dat s PRO 120 CO 0.55 -1.90 1.23 -1.54 0.04 0.00 0.00 177.00 175.38 2dat s SER 121 N -3.41 -0.22 -1.04 6.66 1.04 -1.26 -5.08 113.70 110.39 2dat s SER 121 Ca 0.62 0.36 -0.23 0.00 0.48 0.00 0.00 55.95 57.19 2dat s SER 121 Cb -0.17 0.35 -0.02 0.00 0.10 0.00 0.00 66.02 66.27 2dat s SER 121 CO 0.56 -0.12 1.80 -0.55 0.98 0.00 0.00 173.24 175.92 2dat s SER 122 N -0.32 5.64 0.00 7.02 0.15 -1.26 -5.32 113.70 119.62 2dat s SER 122 Ca 0.05 -1.28 0.28 0.00 0.70 0.00 0.00 55.95 55.70 2dat s SER 122 Cb -0.03 -2.57 1.05 0.00 -1.71 0.00 0.00 66.02 62.75 2dat s SER 122 CO -0.08 -2.34 1.74 0.61 1.20 0.00 0.00 173.24 174.38