#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ksi n SER 2 N 0.00 3.58 -4.95 7.83 7.64 -1.26 -4.96 113.62 121.50 2ksi n SER 2 Ca 0.00 0.44 -0.24 0.00 1.01 0.00 0.00 58.87 60.08 2ksi n SER 2 Cb 0.00 -1.55 0.02 0.00 -1.01 0.00 0.00 64.21 61.67 2ksi n SER 2 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2ksi s LEU 3 N 7.01 2.80 -0.01 -3.43 2.34 -1.26 -5.05 118.68 121.09 2ksi s LEU 3 Ca 0.97 -1.14 -0.23 0.00 0.06 0.00 0.00 54.13 53.79 2ksi s LEU 3 Cb -0.37 -1.29 -0.13 0.00 -0.56 0.00 0.00 46.19 43.84 2ksi s LEU 3 CO 0.38 -1.20 0.97 0.11 -1.06 0.00 0.00 176.35 175.54 2ksi h LYS 4 N 0.55 -0.68 -1.56 1.48 1.57 -2.03 -3.08 116.57 112.81 2ksi h LYS 4 Ca -0.34 0.05 0.46 0.00 -1.87 0.00 0.00 60.65 58.94 2ksi h LYS 4 Cb 1.30 0.16 -0.07 0.00 0.08 0.00 0.00 32.23 33.69 2ksi h LYS 4 CO 0.52 -0.41 1.11 0.77 -0.57 0.00 0.00 179.45 180.87 2ksi h SER 5 N -1.12 0.04 -0.41 0.86 0.02 -1.96 0.32 113.55 111.30 2ksi h SER 5 Ca -0.07 0.02 0.07 0.00 -0.84 0.00 0.00 61.79 60.97 2ksi h SER 5 Cb 0.59 0.01 -0.07 0.00 0.14 0.00 0.00 62.40 63.08 2ksi h SER 5 CO 0.12 -0.02 0.00 -0.78 -1.14 0.00 0.00 176.83 175.02 2ksi h ASP 6 N 0.02 -0.16 -1.00 3.07 3.58 -1.94 -0.67 116.42 119.32 2ksi h ASP 6 Ca 0.77 0.09 0.23 0.00 0.42 0.00 0.00 57.03 58.54 2ksi h ASP 6 Cb 2.98 0.16 -0.10 0.00 1.72 0.00 0.00 39.33 44.10 2ksi h ASP 6 CO -0.06 -0.04 0.63 -0.08 -2.88 0.00 0.00 179.24 176.80 2ksi h GLU 7 N 0.11 0.52 0.79 0.28 4.57 -0.47 -1.94 114.58 118.44 2ksi h GLU 7 Ca 0.20 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.31 2ksi h GLU 7 Cb 0.28 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.75 2ksi h GLU 7 CO -0.33 0.34 -0.49 0.28 -1.18 0.00 0.00 179.01 177.64 2ksi h VAL 8 N 0.54 0.00 -0.60 0.32 2.07 -1.20 0.23 116.25 117.60 2ksi h VAL 8 Ca 0.57 0.00 0.12 0.00 0.82 0.00 0.00 66.70 68.21 2ksi h VAL 8 Cb 1.21 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.87 2ksi h VAL 8 CO -0.32 0.00 -0.08 -0.26 0.02 0.00 0.00 177.57 176.94 2ksi h PHE 9 N -1.20 -0.19 -0.78 1.57 -1.00 -1.27 0.16 116.94 114.24 2ksi h PHE 9 Ca -0.11 0.05 -0.02 0.00 2.81 0.00 0.00 57.97 60.70 2ksi h PHE 9 Cb 0.96 0.18 -0.04 0.00 3.61 0.00 0.00 35.95 40.66 2ksi h PHE 9 CO -0.10 -0.22 0.39 0.00 -1.61 0.00 0.00 178.31 176.78 2ksi h ALA 10 N 1.58 1.00 0.26 2.45 0.00 -1.27 -1.91 119.26 121.36 2ksi h ALA 10 Ca 0.30 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2ksi h ALA 10 Cb 0.48 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2ksi h ALA 10 CO -0.57 0.55 -0.12 0.87 0.00 0.00 0.00 179.25 179.97 2ksi h LYS 11 N 1.09 -0.33 -0.36 0.00 1.79 0.15 0.21 116.57 119.12 2ksi h LYS 11 Ca 0.27 0.02 0.06 0.00 -2.18 0.00 0.00 60.65 58.83 2ksi h LYS 11 Cb 0.09 0.08 -0.06 0.00 -1.58 0.00 0.00 32.23 30.76 2ksi h LYS 11 CO -0.04 -0.16 -0.00 0.82 -1.08 0.00 0.00 179.45 178.99 2ksi h ILE 12 N -0.44 0.73 0.35 1.86 2.04 -0.67 0.16 117.51 121.54 2ksi h ILE 12 Ca -0.04 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 2ksi h ILE 12 Cb 0.33 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 2ksi h ILE 12 CO 0.06 0.02 -0.17 0.00 0.00 0.00 0.00 178.15 178.06 2ksi h ALA 13 N 1.31 -0.47 -0.36 1.87 0.00 -1.25 -1.34 119.26 119.02 2ksi h ALA 13 Ca 0.17 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.03 2ksi h ALA 13 Cb 0.24 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2ksi h ALA 13 CO -0.29 -0.67 0.30 -0.22 0.00 0.00 0.00 179.25 178.37 2ksi h LYS 14 N -0.64 0.00 0.06 0.00 3.64 -0.33 0.14 116.57 119.44 2ksi h LYS 14 Ca -0.05 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.08 2ksi h LYS 14 Cb 0.46 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.29 2ksi h LYS 14 CO 0.08 0.00 -1.09 0.00 -2.27 0.00 0.00 179.45 176.17 2ksi h ARG 15 N 0.00 0.41 0.00 1.90 -0.00 -0.35 -3.15 114.38 113.19 2ksi h ARG 15 Ca 0.17 -0.53 0.00 0.00 -0.50 0.00 0.00 59.98 59.12 2ksi h ARG 15 Cb 0.78 0.17 0.00 0.00 0.00 0.00 0.00 29.97 30.92 2ksi h ARG 15 CO -0.00 1.19 0.00 1.37 0.00 0.00 0.00 179.97 182.53 2ksi h LEU 16 N 0.20 0.00 0.00 3.04 8.10 0.16 -2.39 115.31 124.41 2ksi h LEU 16 Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.87 2ksi h LEU 16 Cb 1.76 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.98 2ksi h LEU 16 CO 0.19 0.00 -0.41 -0.62 -4.11 0.00 0.00 178.44 173.49 2ksi n GLU 17 N -3.06 0.01 -0.01 0.17 1.02 -0.74 -3.92 120.64 114.12 2ksi n GLU 17 Ca 0.01 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.98 2ksi n GLU 17 Cb 0.33 -1.51 -0.08 0.00 -0.02 0.00 0.00 31.44 30.15 2ksi n GLU 17 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 2ksi h SER 18 N 0.00 0.84 -0.70 1.62 0.02 -1.39 -3.44 113.55 110.51 2ksi h SER 18 Ca 0.00 -0.66 -0.58 0.00 -0.84 0.00 0.00 61.79 59.71 2ksi h SER 18 Cb 0.51 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.76 2ksi h SER 18 CO 0.00 1.37 1.57 -0.38 -1.14 0.00 0.00 176.83 178.25 2ksi n ILE 19 N -4.01 0.04 -1.71 3.27 -0.00 -1.25 -4.85 119.36 110.85 2ksi n ILE 19 Ca -0.08 -0.26 -0.40 0.00 -0.00 0.00 0.00 62.75 62.01 2ksi n ILE 19 Cb 0.73 -1.37 0.03 0.00 -0.00 0.00 0.00 39.64 39.03 2ksi n ILE 19 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 2ksi n ASP 20 N 11.15 2.44 0.04 4.38 9.92 -1.26 -4.87 116.55 138.34 2ksi n ASP 20 Ca 0.50 1.04 0.08 0.00 -0.53 0.00 0.00 54.79 55.89 2ksi n ASP 20 Cb 0.20 -1.52 0.36 0.00 -0.64 0.00 0.00 41.12 39.52 2ksi n ASP 20 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2ksi n PRO 21 N -0.37 0.06 0.00 -0.24 -0.04 -1.26 -2.22 135.00 130.93 2ksi n PRO 21 Ca 0.08 0.31 0.15 0.00 -0.04 0.00 0.00 63.50 64.00 2ksi n PRO 21 Cb 0.42 -1.61 0.78 0.00 -0.04 0.00 0.00 33.50 33.05 2ksi n PRO 21 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ksi n ALA 22 N -1.58 2.51 -3.15 0.55 0.00 -1.26 -4.65 120.51 112.93 2ksi n ALA 22 Ca 0.03 -0.15 0.05 0.00 0.00 0.00 0.00 53.44 53.37 2ksi n ALA 22 Cb 0.18 -1.49 -0.01 0.00 0.00 0.00 0.00 19.45 18.13 2ksi n ALA 22 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2ksi s ASN 23 N -2.49 -0.47 0.04 0.00 3.84 -0.94 -5.18 114.94 109.74 2ksi s ASN 23 Ca 0.31 0.16 0.01 0.00 0.21 0.00 0.00 52.86 53.55 2ksi s ASN 23 Cb 0.20 1.34 0.01 0.00 -0.55 0.00 0.00 41.25 42.25 2ksi s ASN 23 CO 0.45 -0.09 0.05 0.54 -2.79 0.00 0.00 177.10 175.26 2ksi n ARG 24 N 5.30 1.11 0.00 0.43 5.12 -1.26 -4.38 116.66 122.98 2ksi n ARG 24 Ca 0.01 -0.24 0.00 0.00 -1.93 0.00 0.00 57.85 55.69 2ksi n ARG 24 Cb 0.56 -0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.85 2ksi n ARG 24 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2ksi n GLN 25 N -0.95 0.00 -3.77 5.56 3.00 -1.26 -5.10 117.38 114.86 2ksi n GLN 25 Ca 0.01 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.79 2ksi n GLN 25 Cb 0.05 0.00 -0.17 0.00 0.00 0.00 0.00 30.24 30.11 2ksi n GLN 25 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2ksi s VAL 26 N -0.12 0.15 -0.17 5.09 1.01 -1.26 -5.13 120.40 119.96 2ksi s VAL 26 Ca 0.00 0.23 -0.03 0.00 0.00 0.00 0.00 61.98 62.17 2ksi s VAL 26 Cb 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 36.38 36.03 2ksi s VAL 26 CO 0.00 0.20 -0.05 -1.61 0.00 0.00 0.00 175.10 173.65 2ksi s GLU 27 N 1.82 3.54 0.17 2.72 2.02 -1.26 -5.03 118.70 122.69 2ksi s GLU 27 Ca 0.02 -0.58 -0.23 0.00 0.02 0.00 0.00 54.97 54.20 2ksi s GLU 27 Cb -0.12 -2.91 0.07 0.00 0.10 0.00 0.00 34.13 31.27 2ksi s GLU 27 CO -0.04 0.09 1.02 -1.58 0.02 0.00 0.00 175.26 174.77 2ksi s HIS 28 N 0.73 0.00 -0.22 1.61 2.46 -1.26 -4.98 115.29 113.63 2ksi s HIS 28 Ca -0.02 -0.37 -0.14 0.00 0.47 0.00 0.00 55.06 55.00 2ksi s HIS 28 Cb -0.15 0.68 -0.04 0.00 -0.13 0.00 0.00 32.58 32.94 2ksi s HIS 28 CO 0.02 -0.89 0.32 0.08 -2.47 0.00 0.00 174.74 171.80 2ksi s VAL 29 N -2.55 5.25 0.18 0.89 1.01 -1.26 -3.85 120.40 120.07 2ksi s VAL 29 Ca 0.18 0.53 0.10 0.00 0.00 0.00 0.00 61.98 62.79 2ksi s VAL 29 Cb -0.02 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 2ksi s VAL 29 CO 0.04 0.27 -0.21 -0.31 0.00 0.00 0.00 175.10 174.89 2ksi s TYR 30 N 1.32 2.04 -0.05 5.22 2.02 -1.24 -2.97 117.35 123.69 2ksi s TYR 30 Ca 0.15 -0.42 0.06 0.00 -0.37 0.00 0.00 57.07 56.50 2ksi s TYR 30 Cb -0.14 -1.01 -0.01 0.00 -0.40 0.00 0.00 41.96 40.40 2ksi s TYR 30 CO 0.07 0.42 -0.24 0.21 -1.57 0.00 0.00 175.55 174.43 2ksi s LYS 31 N -2.77 2.37 -0.14 -0.62 2.20 -0.51 -1.23 119.74 119.04 2ksi s LYS 31 Ca 0.18 -0.88 0.00 0.00 -0.36 0.00 0.00 55.97 54.91 2ksi s LYS 31 Cb -0.07 -2.07 0.03 0.00 -1.51 0.00 0.00 37.83 34.21 2ksi s LYS 31 CO 0.08 0.40 -0.11 -0.06 -0.36 0.00 0.00 175.35 175.31 2ksi s PHE 32 N -0.24 1.90 -0.16 4.03 0.40 0.88 -0.09 117.98 124.71 2ksi s PHE 32 Ca -0.01 -1.06 -0.11 0.00 -0.60 0.00 0.00 56.93 55.15 2ksi s PHE 32 Cb -0.13 -1.45 -0.05 0.00 0.51 0.00 0.00 43.02 41.91 2ksi s PHE 32 CO 0.03 -0.62 0.20 1.03 0.70 0.00 0.00 175.22 176.56 2ksi s ARG 33 N 1.57 4.03 -0.26 0.44 0.52 0.12 0.56 118.95 125.93 2ksi s ARG 33 Ca 0.04 -0.07 -0.02 0.00 -0.52 0.00 0.00 55.73 55.17 2ksi s ARG 33 Cb -0.13 -3.36 0.03 0.00 0.52 0.00 0.00 34.95 32.01 2ksi s ARG 33 CO -0.09 0.41 -0.04 0.42 0.02 0.00 0.00 175.30 176.01 2ksi s ILE 34 N 0.01 2.96 -0.05 1.52 -1.09 -1.13 -1.99 121.20 121.42 2ksi s ILE 34 Ca 0.13 -1.08 0.02 0.00 -2.23 0.00 0.00 60.65 57.48 2ksi s ILE 34 Cb -0.12 -2.55 -0.03 0.00 -1.58 0.00 0.00 42.46 38.18 2ksi s ILE 34 CO 0.02 0.13 -0.08 0.42 -1.23 0.00 0.00 174.94 174.20 2ksi s THR 35 N 1.32 3.60 -0.30 2.92 -4.23 -1.04 -0.42 115.64 117.49 2ksi s THR 35 Ca -0.01 -0.58 0.01 0.00 -1.18 0.00 0.00 61.69 59.92 2ksi s THR 35 Cb -0.17 -2.49 0.19 0.00 1.34 0.00 0.00 72.50 71.37 2ksi s THR 35 CO -0.03 0.55 0.74 0.00 -0.54 0.00 0.00 174.62 175.33 2ksi s GLN 36 N -0.95 0.44 0.00 3.99 -2.07 -1.17 -0.37 119.66 119.52 2ksi s GLN 36 Ca 0.13 0.38 0.00 0.00 -1.82 0.00 0.00 55.36 54.05 2ksi s GLN 36 Cb -0.11 0.18 0.00 0.00 -1.09 0.00 0.00 33.01 31.99 2ksi s GLN 36 CO 0.03 -0.81 0.00 0.41 -1.32 0.00 0.00 175.29 173.60 2ksi n GLY 37 N 5.25 1.16 0.00 2.60 0.00 -1.26 -4.70 105.19 108.24 2ksi n GLY 37 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2ksi n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ksi n GLY 38 N 0.00 1.19 3.16 -0.02 0.00 -1.26 -5.11 105.19 103.15 2ksi n GLY 38 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2ksi n GLY 38 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ksi s LYS 39 N 0.00 0.79 0.25 1.61 2.20 -1.26 -5.13 119.74 118.21 2ksi s LYS 39 Ca 0.00 -1.20 -0.31 0.00 -0.36 0.00 0.00 55.97 54.10 2ksi s LYS 39 Cb 0.00 0.27 -0.12 0.00 -1.51 0.00 0.00 37.83 36.47 2ksi s LYS 39 CO 0.00 -0.21 1.61 0.28 -0.36 0.00 0.00 175.35 176.66 2ksi n VAL 40 N -0.01 0.64 -0.01 4.02 0.31 -1.26 -3.06 118.33 118.96 2ksi n VAL 40 Ca -0.12 -0.16 -0.13 0.00 -0.01 0.00 0.00 64.34 63.92 2ksi n VAL 40 Cb 0.62 -1.87 -0.14 0.00 -0.91 0.00 0.00 33.84 31.54 2ksi n VAL 40 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 2ksi n VAL 41 N 2.72 1.67 -3.61 2.52 0.24 0.44 -4.93 118.33 117.39 2ksi n VAL 41 Ca 0.12 -0.74 -0.07 0.00 -2.04 0.00 0.00 64.34 61.60 2ksi n VAL 41 Cb 0.35 -1.29 -0.05 0.00 -1.47 0.00 0.00 33.84 31.37 2ksi n VAL 41 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2ksi s LYS 42 N -2.58 0.36 0.53 7.34 1.02 -1.23 -5.08 119.74 120.10 2ksi s LYS 42 Ca -0.11 0.17 -0.05 0.00 0.02 0.00 0.00 55.97 55.99 2ksi s LYS 42 Cb 0.07 0.17 -0.02 0.00 -0.52 0.00 0.00 37.83 37.54 2ksi s LYS 42 CO 0.80 -0.10 0.83 -0.80 -0.92 0.00 0.00 175.35 175.17 2ksi s ASN 43 N -0.74 5.97 0.03 2.83 0.01 -1.26 -2.84 114.94 118.93 2ksi s ASN 43 Ca 0.03 0.82 0.01 0.00 -0.71 0.00 0.00 52.86 53.02 2ksi s ASN 43 Cb -0.02 -2.00 -0.02 0.00 0.41 0.00 0.00 41.25 39.62 2ksi s ASN 43 CO -0.04 -0.79 -0.06 0.26 -1.51 0.00 0.00 177.10 174.96 2ksi s TRP 44 N -2.84 0.49 -0.03 2.20 0.51 0.19 -2.72 118.94 116.75 2ksi s TRP 44 Ca 0.50 -0.49 0.06 0.00 -2.12 0.00 0.00 56.10 54.05 2ksi s TRP 44 Cb -0.10 -0.31 -0.01 0.00 -0.81 0.00 0.00 33.47 32.24 2ksi s TRP 44 CO 0.45 -0.12 -0.20 0.08 -0.51 0.00 0.00 176.95 176.65 2ksi s VAL 45 N -1.34 1.62 -0.62 4.03 1.01 0.15 -0.08 120.40 125.17 2ksi s VAL 45 Ca -0.12 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 60.85 2ksi s VAL 45 Cb -0.10 -1.36 0.15 0.00 0.00 0.00 0.00 36.38 35.08 2ksi s VAL 45 CO -0.00 0.46 0.57 -0.32 0.00 0.00 0.00 175.10 175.80 2ksi s MET 46 N -0.33 3.14 -1.28 2.72 1.75 -0.37 -1.70 119.30 123.23 2ksi s MET 46 Ca 0.04 -1.93 -0.19 0.00 -1.25 0.00 0.00 55.69 52.37 2ksi s MET 46 Cb -0.09 -4.32 0.03 0.00 2.84 0.00 0.00 34.83 33.29 2ksi s MET 46 CO 0.00 -1.31 1.84 -3.47 -0.65 0.00 0.00 175.02 171.43 2ksi n ASP 47 N 4.87 4.38 0.10 1.11 -0.08 0.14 -3.65 116.55 123.43 2ksi n ASP 47 Ca -0.06 -2.86 0.12 0.00 -1.51 0.00 0.00 54.79 50.48 2ksi n ASP 47 Cb 0.42 -1.72 0.45 0.00 2.34 0.00 0.00 41.12 42.62 2ksi n ASP 47 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2ksi n LEU 48 N 9.23 0.66 -0.03 -2.67 7.99 -1.25 0.20 117.00 131.13 2ksi n LEU 48 Ca 0.49 0.61 -0.16 0.00 -0.01 0.00 0.00 56.01 56.93 2ksi n LEU 48 Cb 0.45 -0.45 -0.13 0.00 -0.11 0.00 0.00 43.42 43.18 2ksi n LEU 48 CO 0.78 -0.34 0.30 0.50 -1.51 0.00 0.00 177.39 177.11 2ksi h LYS 49 N 0.00 0.12 -0.01 3.23 3.64 -1.84 -3.31 116.57 118.40 2ksi h LYS 49 Ca 0.00 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 2ksi h LYS 49 Cb 0.53 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 2ksi h LYS 49 CO 0.00 1.04 -0.15 -1.71 -2.27 0.00 0.00 179.45 176.36 2ksi n ASN 50 N -4.45 1.34 -2.28 4.20 2.85 -1.21 -4.95 115.26 110.75 2ksi n ASN 50 Ca -0.11 -1.21 -0.10 0.00 -0.11 0.00 0.00 54.58 53.05 2ksi n ASN 50 Cb 0.58 0.09 0.05 0.00 1.24 0.00 0.00 39.78 41.73 2ksi n ASN 50 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 2ksi n VAL 51 N -0.20 -2.85 -4.00 3.44 0.31 -0.30 -5.04 118.33 109.68 2ksi n VAL 51 Ca 0.15 -0.21 -0.10 0.00 -0.01 0.00 0.00 64.34 64.18 2ksi n VAL 51 Cb 0.37 -3.61 -0.07 0.00 -0.91 0.00 0.00 33.84 29.62 2ksi n VAL 51 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2ksi s LYS 52 N -4.97 1.35 -0.30 5.55 2.47 0.13 -4.67 119.74 119.30 2ksi s LYS 52 Ca 0.08 -1.26 -0.01 0.00 -1.56 0.00 0.00 55.97 53.22 2ksi s LYS 52 Cb -0.03 0.41 0.09 0.00 -1.46 0.00 0.00 37.83 36.84 2ksi s LYS 52 CO 0.39 -0.52 0.08 -0.51 0.16 0.00 0.00 175.35 174.95 2ksi s LEU 53 N -3.01 2.27 0.48 5.43 1.43 -1.26 0.26 118.68 124.27 2ksi s LEU 53 Ca 0.22 -1.56 0.08 0.00 -1.03 0.00 0.00 54.13 51.85 2ksi s LEU 53 Cb 0.02 -0.89 0.03 0.00 0.03 0.00 0.00 46.19 45.38 2ksi s LEU 53 CO 0.06 -0.39 0.58 0.68 0.23 0.00 0.00 176.35 177.50 2ksi s VAL 54 N 1.59 2.56 -0.33 -1.59 -7.23 -0.69 -4.95 120.40 109.76 2ksi s VAL 54 Ca 0.08 -1.12 -0.08 0.00 -1.81 0.00 0.00 61.98 59.05 2ksi s VAL 54 Cb -0.17 -2.67 0.02 0.00 0.56 0.00 0.00 36.38 34.11 2ksi s VAL 54 CO -0.22 0.00 0.13 -1.83 -0.31 0.00 0.00 175.10 172.87 2ksi s GLU 55 N -4.39 2.97 0.09 4.82 4.04 -1.26 0.34 118.70 125.31 2ksi s GLU 55 Ca 0.54 -0.96 -0.26 0.00 0.04 0.00 0.00 54.97 54.32 2ksi s GLU 55 Cb -0.07 -3.52 0.08 0.00 0.02 0.00 0.00 34.13 30.64 2ksi s GLU 55 CO 0.33 -0.55 0.95 -1.12 -1.84 0.00 0.00 175.26 173.02 2ksi s SER 56 N 1.51 -0.24 -0.17 0.83 0.01 -1.10 -4.80 113.70 109.75 2ksi s SER 56 Ca 0.02 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.03 2ksi s SER 56 Cb -0.18 0.44 0.03 0.00 0.21 0.00 0.00 66.02 66.52 2ksi s SER 56 CO 0.04 -0.78 -0.12 1.51 0.41 0.00 0.00 173.24 174.30 2ksi s ASP 57 N -2.79 2.95 0.15 2.44 -4.77 -1.26 -2.58 116.67 110.81 2ksi s ASP 57 Ca 0.10 -0.65 -0.13 0.00 -3.30 0.00 0.00 52.55 48.57 2ksi s ASP 57 Cb -0.01 -1.17 0.02 0.00 -1.09 0.00 0.00 42.92 40.66 2ksi s ASP 57 CO -0.02 -0.10 0.36 -1.81 0.70 0.00 0.00 175.17 174.30 2ksi s ASP 58 N 1.47 -0.11 -0.74 2.11 1.11 -1.26 -5.08 116.67 114.17 2ksi s ASP 58 Ca 0.02 -0.56 -0.26 0.00 0.18 0.00 0.00 52.55 51.94 2ksi s ASP 58 Cb -0.14 0.47 -0.09 0.00 1.07 0.00 0.00 42.92 44.22 2ksi s ASP 58 CO -0.09 -0.89 2.27 0.00 1.18 0.00 0.00 175.17 177.63 2ksi s ALA 59 N -3.87 1.21 0.15 5.23 0.00 -1.26 -4.91 121.76 118.31 2ksi s ALA 59 Ca 0.08 -0.76 -0.03 0.00 0.00 0.00 0.00 51.96 51.25 2ksi s ALA 59 Cb 0.02 -4.50 -0.05 0.00 0.00 0.00 0.00 23.12 18.59 2ksi s ALA 59 CO -0.07 -5.22 0.36 0.00 0.00 0.00 0.00 175.76 170.83 2ksi s ALA 60 N 12.81 3.83 0.40 0.00 0.00 -1.26 -4.98 121.76 132.56 2ksi s ALA 60 Ca 0.87 -0.68 0.39 0.00 0.00 0.00 0.00 51.96 52.55 2ksi s ALA 60 Cb -0.12 -2.05 1.95 0.00 0.00 0.00 0.00 23.12 22.90 2ksi s ALA 60 CO 0.11 0.63 2.19 0.93 0.00 0.00 0.00 175.76 179.62 2ksi h GLU 61 N 2.62 0.00 -3.32 0.00 3.07 -1.89 -3.41 114.58 111.66 2ksi h GLU 61 Ca -0.46 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.08 2ksi h GLU 61 Cb 1.17 0.00 -0.36 0.00 -0.84 0.00 0.00 28.75 28.72 2ksi h GLU 61 CO 0.72 0.00 -0.70 0.00 -1.40 0.00 0.00 179.01 177.63 2ksi s ALA 62 N -3.92 0.04 -0.18 3.43 0.00 -1.25 -4.62 121.76 115.25 2ksi s ALA 62 Ca -0.02 0.37 -0.07 0.00 0.00 0.00 0.00 51.96 52.24 2ksi s ALA 62 Cb 0.11 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 2ksi s ALA 62 CO 0.46 -0.35 0.04 0.99 0.00 0.00 0.00 175.76 176.90 2ksi s THR 63 N 1.74 4.60 -0.22 0.00 2.01 0.25 -1.43 115.64 122.59 2ksi s THR 63 Ca -0.01 -0.10 0.01 0.00 0.31 0.00 0.00 61.69 61.90 2ksi s THR 63 Cb -0.12 -3.06 0.05 0.00 0.01 0.00 0.00 72.50 69.37 2ksi s THR 63 CO -0.04 0.46 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.47 2ksi s LEU 64 N 0.43 2.61 -0.17 4.42 1.02 0.88 -0.04 118.68 127.82 2ksi s LEU 64 Ca 0.02 -1.02 -0.04 0.00 0.02 0.00 0.00 54.13 53.11 2ksi s LEU 64 Cb -0.13 -1.36 -0.03 0.00 0.02 0.00 0.00 46.19 44.70 2ksi s LEU 64 CO 0.01 -0.14 -0.02 -0.89 0.02 0.00 0.00 176.35 175.33 2ksi s THR 65 N 1.29 3.97 0.01 5.49 2.01 -0.16 0.14 115.64 128.39 2ksi s THR 65 Ca -0.03 -0.32 -0.28 0.00 0.31 0.00 0.00 61.69 61.37 2ksi s THR 65 Cb -0.17 -2.76 0.07 0.00 0.01 0.00 0.00 72.50 69.65 2ksi s THR 65 CO -0.08 0.47 0.65 -0.04 -0.69 0.00 0.00 174.62 174.93 2ksi s MET 66 N 0.56 1.12 0.67 4.92 -1.94 -0.84 -3.19 119.30 120.59 2ksi s MET 66 Ca -0.02 0.04 -0.11 0.00 -1.71 0.00 0.00 55.69 53.89 2ksi s MET 66 Cb -0.14 0.52 -0.00 0.00 2.01 0.00 0.00 34.83 37.22 2ksi s MET 66 CO 0.02 -0.39 1.06 -1.21 -0.01 0.00 0.00 175.02 174.49 2ksi s GLU 67 N -1.95 3.06 0.11 2.03 0.41 -1.26 -2.51 118.70 118.59 2ksi s GLU 67 Ca -0.07 0.49 -0.28 0.00 -0.41 0.00 0.00 54.97 54.70 2ksi s GLU 67 Cb -0.00 -2.06 -0.09 0.00 -1.78 0.00 0.00 34.13 30.19 2ksi s GLU 67 CO 0.03 -0.88 1.63 0.22 -0.49 0.00 0.00 175.26 175.77 2ksi h ASP 68 N -0.52 -0.83 -0.85 -0.19 1.82 -1.05 -1.99 116.42 112.82 2ksi h ASP 68 Ca -0.45 0.09 0.07 0.00 -0.39 0.00 0.00 57.03 56.35 2ksi h ASP 68 Cb 1.24 0.31 -0.06 0.00 0.68 0.00 0.00 39.33 41.50 2ksi h ASP 68 CO 0.63 -0.39 0.56 0.44 -1.61 0.00 0.00 179.24 178.86 2ksi h ASP 69 N -0.54 0.82 -0.59 2.28 3.32 -1.94 -2.13 116.42 117.64 2ksi h ASP 69 Ca 0.02 0.01 0.10 0.00 0.02 0.00 0.00 57.03 57.18 2ksi h ASP 69 Cb 0.55 -0.17 -0.08 0.00 0.22 0.00 0.00 39.33 39.85 2ksi h ASP 69 CO -0.14 0.52 0.15 0.40 -1.72 0.00 0.00 179.24 178.45 2ksi h ILE 70 N 0.93 0.69 -0.88 0.35 1.08 -1.74 0.47 117.51 118.41 2ksi h ILE 70 Ca 0.37 -0.10 0.21 0.00 -0.39 0.00 0.00 64.86 64.95 2ksi h ILE 70 Cb 0.26 0.37 -0.06 0.00 -3.07 0.00 0.00 36.82 34.31 2ksi h ILE 70 CO -0.14 0.05 0.59 0.00 -0.69 0.00 0.00 178.15 177.97 2ksi h MET 71 N 0.30 0.30 -0.02 2.37 -0.00 -1.05 0.39 114.93 117.23 2ksi h MET 71 Ca 0.30 -0.02 -0.12 0.00 -0.00 0.00 0.00 59.70 59.86 2ksi h MET 71 Cb 0.43 -0.07 -0.02 0.00 -0.00 0.00 0.00 31.60 31.94 2ksi h MET 71 CO -0.36 0.20 -0.56 0.35 -0.00 0.00 0.00 176.91 176.54 2ksi h PHE 72 N 0.31 0.07 0.18 -0.10 3.57 -0.96 0.42 116.94 120.43 2ksi h PHE 72 Ca 0.45 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.92 2ksi h PHE 72 Cb 1.25 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.98 2ksi h PHE 72 CO -0.00 0.60 -0.08 0.00 -2.23 0.00 0.00 178.31 176.60 2ksi h ALA 73 N 1.39 -0.25 -0.17 2.41 0.00 -0.02 -3.10 119.26 119.52 2ksi h ALA 73 Ca -0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2ksi h ALA 73 Cb 1.01 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2ksi h ALA 73 CO 0.08 -0.23 -0.20 0.82 0.00 0.00 0.00 179.25 179.72 2ksi h ILE 74 N -0.99 1.34 -0.95 0.00 2.04 -1.30 0.27 117.51 117.93 2ksi h ILE 74 Ca -0.02 -1.38 0.18 0.00 1.00 0.00 0.00 64.86 64.64 2ksi h ILE 74 Cb 0.18 1.85 -0.11 0.00 -0.74 0.00 0.00 36.82 38.00 2ksi h ILE 74 CO 0.04 0.41 0.53 1.23 0.00 0.00 0.00 178.15 180.37 2ksi h GLY 75 N 0.08 1.64 0.49 5.37 0.00 -0.32 0.33 103.07 110.67 2ksi h GLY 75 Ca 0.02 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2ksi h GLY 75 CO 0.05 -0.08 -0.24 -1.30 0.00 0.00 0.00 176.54 174.97 2ksi n THR 76 N -4.83 0.00 -1.06 4.70 -2.24 -1.17 -4.57 114.28 105.11 2ksi n THR 76 Ca 0.21 -0.10 -0.02 0.00 -2.27 0.00 0.00 64.05 61.87 2ksi n THR 76 Cb 0.54 0.25 -0.01 0.00 -2.10 0.00 0.00 70.33 69.01 2ksi n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ksi n GLY 77 N 1.34 0.52 0.32 3.38 0.00 0.12 -4.91 105.19 105.97 2ksi n GLY 77 Ca 0.12 -0.29 0.01 0.00 0.00 0.00 0.00 46.02 45.86 2ksi n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ksi h ALA 78 N 0.00 1.19 -3.81 4.61 0.00 -0.72 -3.43 119.26 117.11 2ksi h ALA 78 Ca -0.04 -0.01 -0.58 0.00 0.00 0.00 0.00 54.91 54.28 2ksi h ALA 78 Cb 0.30 -0.23 -0.23 0.00 0.00 0.00 0.00 17.79 17.63 2ksi h ALA 78 CO 0.06 0.28 -0.84 -1.17 0.00 0.00 0.00 179.25 177.58 2ksi s LEU 79 N -10.21 2.27 0.11 0.00 2.96 -1.19 -5.04 118.68 107.58 2ksi s LEU 79 Ca -0.13 -0.65 -0.31 0.00 -0.22 0.00 0.00 54.13 52.82 2ksi s LEU 79 Cb 0.18 -0.95 -0.08 0.00 0.50 0.00 0.00 46.19 45.84 2ksi s LEU 79 CO 0.79 0.10 1.36 -2.16 -1.32 0.00 0.00 176.35 175.13 2ksi s PRO 80 N -1.73 4.34 0.52 0.98 0.04 -1.26 -4.53 135.00 133.35 2ksi s PRO 80 Ca 0.08 2.04 0.21 0.00 0.04 0.00 0.00 61.00 63.36 2ksi s PRO 80 Cb -0.10 -3.26 1.38 0.00 0.04 0.00 0.00 34.50 32.56 2ksi s PRO 80 CO 0.04 -0.41 2.12 0.00 0.04 0.00 0.00 177.00 178.79 2ksi h ALA 81 N 6.74 1.67 0.31 8.56 0.00 -1.96 0.25 119.26 134.83 2ksi h ALA 81 Ca -0.42 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 2ksi h ALA 81 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2ksi h ALA 81 CO 0.85 0.09 -0.15 0.87 0.00 0.00 0.00 179.25 180.91 2ksi h LYS 82 N 0.00 -0.40 -0.36 0.00 1.57 -1.99 -2.72 116.57 112.68 2ksi h LYS 82 Ca -0.00 0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 2ksi h LYS 82 Cb 0.14 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 2ksi h LYS 82 CO 0.01 -0.09 0.00 1.49 -0.57 0.00 0.00 179.45 180.29 2ksi h GLU 83 N -0.98 0.63 -0.31 3.15 4.57 -1.93 -0.09 114.58 119.61 2ksi h GLU 83 Ca -0.04 -0.20 0.07 0.00 -1.18 0.00 0.00 59.36 58.01 2ksi h GLU 83 Cb 0.49 -0.06 -0.08 0.00 -0.16 0.00 0.00 28.75 28.94 2ksi h GLU 83 CO 0.07 0.74 -0.23 0.00 -1.18 0.00 0.00 179.01 178.40 2ksi h ALA 84 N 0.87 -0.06 0.00 2.92 0.00 -0.61 -0.35 119.26 122.03 2ksi h ALA 84 Ca 0.10 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 2ksi h ALA 84 Cb 0.45 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2ksi h ALA 84 CO 0.02 -0.64 -0.43 0.52 0.00 0.00 0.00 179.25 178.72 2ksi h MET 85 N -0.21 0.00 -0.31 0.00 2.86 -1.45 -3.03 114.93 112.79 2ksi h MET 85 Ca 0.16 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.78 2ksi h MET 85 Cb 0.45 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 2ksi h MET 85 CO -0.43 0.43 0.13 0.00 1.06 0.00 0.00 176.91 178.10 2ksi h ALA 86 N 1.57 1.64 -0.26 6.32 0.00 0.67 -1.59 119.26 127.61 2ksi h ALA 86 Ca -0.00 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 2ksi h ALA 86 Cb 0.97 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.56 2ksi h ALA 86 CO 0.06 0.29 0.15 1.04 0.00 0.00 0.00 179.25 180.78 2ksi n GLN 87 N -4.41 1.52 -2.31 0.00 6.02 -0.66 -4.82 117.38 112.72 2ksi n GLN 87 Ca 0.02 -0.87 -0.07 0.00 -0.01 0.00 0.00 57.00 56.06 2ksi n GLN 87 Cb 0.13 -1.42 -0.01 0.00 1.02 0.00 0.00 30.24 29.96 2ksi n GLN 87 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2ksi n ASP 88 N 0.06 -2.62 -0.65 1.08 9.92 -0.60 -4.75 116.55 118.99 2ksi n ASP 88 Ca 0.15 0.30 0.13 0.00 -0.53 0.00 0.00 54.79 54.85 2ksi n ASP 88 Cb 0.77 -2.33 0.38 0.00 -0.64 0.00 0.00 41.12 39.30 2ksi n ASP 88 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2ksi n LYS 89 N -2.54 1.89 -3.77 -1.24 5.02 -1.20 -4.88 118.16 111.44 2ksi n LYS 89 Ca -0.08 -1.30 -0.13 0.00 -2.02 0.00 0.00 58.31 54.78 2ksi n LYS 89 Cb 0.53 -1.47 -0.10 0.00 -0.02 0.00 0.00 35.03 33.97 2ksi n LYS 89 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2ksi s MET 90 N -1.95 0.45 -0.29 1.97 -1.94 -1.26 -4.93 119.30 111.35 2ksi s MET 90 Ca 0.35 0.19 0.00 0.00 -1.71 0.00 0.00 55.69 54.52 2ksi s MET 90 Cb 0.20 0.21 0.06 0.00 2.01 0.00 0.00 34.83 37.31 2ksi s MET 90 CO 0.32 -0.09 -0.03 -1.21 -0.01 0.00 0.00 175.02 174.00 2ksi s GLU 91 N -0.37 2.28 -0.02 2.03 0.41 -1.19 -4.84 118.70 117.00 2ksi s GLU 91 Ca -0.05 -1.36 0.04 0.00 -0.41 0.00 0.00 54.97 53.18 2ksi s GLU 91 Cb -0.03 -3.09 -0.01 0.00 -1.78 0.00 0.00 34.13 29.22 2ksi s GLU 91 CO 0.02 -0.64 -0.12 0.54 -0.49 0.00 0.00 175.26 174.56 2ksi s VAL 92 N 1.17 1.01 -0.17 2.63 0.11 -1.26 -0.99 120.40 122.89 2ksi s VAL 92 Ca -0.05 -0.52 -0.01 0.00 -2.93 0.00 0.00 61.98 58.46 2ksi s VAL 92 Cb -0.20 -0.85 0.05 0.00 -1.53 0.00 0.00 36.38 33.84 2ksi s VAL 92 CO -0.03 0.29 -0.01 -1.81 -3.33 0.00 0.00 175.10 170.21 2ksi s ASP 93 N -0.15 2.76 0.00 3.54 1.11 0.94 -4.99 116.67 119.88 2ksi s ASP 93 Ca 0.02 -0.68 0.00 0.00 0.18 0.00 0.00 52.55 52.07 2ksi s ASP 93 Cb -0.06 -0.75 0.00 0.00 1.07 0.00 0.00 42.92 43.18 2ksi s ASP 93 CO 0.00 -0.24 0.00 0.61 1.18 0.00 0.00 175.17 176.72 2ksi n GLY 94 N 4.96 1.60 3.67 0.21 0.00 -1.26 0.84 105.19 115.22 2ksi n GLY 94 Ca -0.10 -0.96 -0.49 0.00 0.00 0.00 0.00 46.02 44.47 2ksi n GLY 94 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2ksi n GLN 95 N -0.64 2.04 -0.31 1.61 -0.06 -1.26 -4.84 117.38 113.92 2ksi n GLN 95 Ca 0.00 0.74 0.07 0.00 -2.00 0.00 0.00 57.00 55.81 2ksi n GLN 95 Cb 0.00 -2.61 0.17 0.00 -4.06 0.00 0.00 30.24 23.74 2ksi n GLN 95 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 2ksi h VAL 96 N 5.58 0.14 -0.05 1.69 2.07 -1.99 0.17 116.25 123.86 2ksi h VAL 96 Ca -0.47 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.05 2ksi h VAL 96 Cb 1.28 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2ksi h VAL 96 CO 0.95 0.01 -0.05 -0.33 0.02 0.00 0.00 177.57 178.17 2ksi h GLU 97 N 0.03 -0.06 -0.41 1.57 5.08 -1.96 0.38 114.58 119.21 2ksi h GLU 97 Ca 0.47 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.91 2ksi h GLU 97 Cb 0.82 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.99 2ksi h GLU 97 CO -0.85 -0.04 -0.32 -0.07 -1.00 0.00 0.00 179.01 176.73 2ksi h LEU 98 N -0.06 -1.05 -1.09 1.33 3.38 -1.05 0.16 115.31 116.92 2ksi h LEU 98 Ca 0.04 0.19 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 2ksi h LEU 98 Cb 0.12 0.50 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2ksi h LEU 98 CO -0.09 -0.31 -0.28 0.16 0.09 0.00 0.00 178.44 178.00 2ksi h ILE 99 N -0.24 0.71 0.00 1.22 3.07 -1.16 -2.57 117.51 118.54 2ksi h ILE 99 Ca 0.18 -1.25 0.00 0.00 1.55 0.00 0.00 64.86 65.34 2ksi h ILE 99 Cb 0.53 1.80 0.00 0.00 -0.27 0.00 0.00 36.82 38.88 2ksi h ILE 99 CO -0.54 0.28 0.00 0.33 -1.05 0.00 0.00 178.15 177.17 2ksi n PHE 100 N -3.48 0.38 0.07 0.16 7.35 0.13 -2.76 117.46 119.30 2ksi n PHE 100 Ca -0.00 0.14 -0.12 0.00 -0.76 0.00 0.00 57.45 56.70 2ksi n PHE 100 Cb 0.45 -0.72 -0.03 0.00 0.35 0.00 0.00 39.48 39.53 2ksi n PHE 100 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2ksi h LEU 101 N 0.00 0.47 -0.11 -2.13 3.38 -0.72 -3.10 115.31 113.10 2ksi h LEU 101 Ca 0.00 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2ksi h LEU 101 Cb 0.38 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2ksi h LEU 101 CO 0.00 1.16 -0.20 0.18 0.09 0.00 0.00 178.44 179.68 2ksi n LEU 102 N -3.73 0.37 0.16 1.67 4.32 -1.11 -4.00 117.00 114.67 2ksi n LEU 102 Ca -0.06 0.13 -0.14 0.00 -0.02 0.00 0.00 56.01 55.92 2ksi n LEU 102 Cb 0.82 -0.29 -0.08 0.00 -1.62 0.00 0.00 43.42 42.25 2ksi n LEU 102 CO 0.50 0.08 0.66 -0.33 -1.22 0.00 0.00 177.39 177.08 2ksi h GLU 103 N 0.27 -0.37 0.00 3.23 5.08 -1.51 -1.99 114.58 119.29 2ksi h GLU 103 Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2ksi h GLU 103 Cb 0.44 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2ksi h GLU 103 CO 0.00 -0.12 0.00 -0.35 -1.00 0.00 0.00 179.01 177.54 2ksi n PRO 104 N -5.17 0.08 0.02 2.33 -0.04 -1.26 -2.05 135.00 128.90 2ksi n PRO 104 Ca -0.10 0.22 0.11 0.00 -0.04 0.00 0.00 63.50 63.69 2ksi n PRO 104 Cb 0.23 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.11 2ksi n PRO 104 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2ksi n PHE 105 N -1.42 0.24 -0.25 0.54 3.72 -1.03 -4.30 117.46 114.95 2ksi n PHE 105 Ca 0.05 0.07 -0.02 0.00 -0.05 0.00 0.00 57.45 57.50 2ksi n PHE 105 Cb 0.15 -0.49 0.10 0.00 -0.94 0.00 0.00 39.48 38.29 2ksi n PHE 105 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 2ksi h ILE 106 N 0.00 1.03 -0.74 4.37 2.04 -0.77 -2.19 117.51 121.24 2ksi h ILE 106 Ca 0.00 -0.27 0.04 0.00 1.00 0.00 0.00 64.86 65.62 2ksi h ILE 106 Cb 0.86 0.16 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 2ksi h ILE 106 CO 0.00 0.15 0.46 0.00 0.00 0.00 0.00 178.15 178.76 2ksi h ALA 107 N 1.34 0.98 -0.39 1.87 0.00 -1.75 -1.07 119.26 120.23 2ksi h ALA 107 Ca 0.30 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.31 2ksi h ALA 107 Cb 0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2ksi h ALA 107 CO -0.15 0.23 0.53 0.77 0.00 0.00 0.00 179.25 180.63 2ksi h SER 108 N 0.89 0.00 -4.28 0.00 0.02 -1.62 -3.41 113.55 105.15 2ksi h SER 108 Ca 0.30 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.80 2ksi h SER 108 Cb 0.06 0.00 0.13 0.00 0.14 0.00 0.00 62.40 62.72 2ksi h SER 108 CO -0.13 0.00 0.33 -0.76 -1.14 0.00 0.00 176.83 175.13 2ksi s LEU 109 N -6.92 2.12 0.00 5.07 1.43 -0.41 -5.04 118.68 114.94 2ksi s LEU 109 Ca -0.04 0.85 0.03 0.00 -1.03 0.00 0.00 54.13 53.94 2ksi s LEU 109 Cb 0.14 -3.16 0.03 0.00 0.03 0.00 0.00 46.19 43.22 2ksi s LEU 109 CO 0.47 -2.49 0.60 1.17 0.23 0.00 0.00 176.35 176.33