#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ksi s SER 2 N 0.00 7.31 0.92 3.17 1.04 -1.26 -5.06 113.70 119.82 2ksi s SER 2 Ca 0.00 1.56 -0.14 0.00 0.48 0.00 0.00 55.95 57.85 2ksi s SER 2 Cb 0.00 -2.51 0.18 0.00 0.10 0.00 0.00 66.02 63.79 2ksi s SER 2 CO 0.00 0.01 1.28 -0.76 0.98 0.00 0.00 173.24 174.74 2ksi s LEU 3 N -0.12 2.71 -0.02 2.42 1.43 -1.26 -5.01 118.68 118.83 2ksi s LEU 3 Ca 0.41 0.28 -0.16 0.00 -1.03 0.00 0.00 54.13 53.62 2ksi s LEU 3 Cb -0.21 -2.41 -0.09 0.00 0.03 0.00 0.00 46.19 43.51 2ksi s LEU 3 CO 0.25 -2.55 0.72 0.11 0.23 0.00 0.00 176.35 175.10 2ksi h LYS 4 N -1.47 -0.57 -1.41 1.70 1.79 -1.99 -3.19 116.57 111.43 2ksi h LYS 4 Ca -0.44 0.04 0.42 0.00 -2.18 0.00 0.00 60.65 58.49 2ksi h LYS 4 Cb 1.25 0.13 -0.09 0.00 -1.58 0.00 0.00 32.23 31.94 2ksi h LYS 4 CO 0.42 -0.38 0.97 0.77 -1.08 0.00 0.00 179.45 180.15 2ksi h SER 5 N -1.07 0.13 -0.31 0.86 0.02 -1.95 0.27 113.55 111.50 2ksi h SER 5 Ca -0.06 0.05 0.06 0.00 -0.84 0.00 0.00 61.79 61.00 2ksi h SER 5 Cb 0.45 0.04 -0.06 0.00 0.14 0.00 0.00 62.40 62.97 2ksi h SER 5 CO 0.10 -0.04 -0.06 -0.78 -1.14 0.00 0.00 176.83 174.91 2ksi h ASP 6 N 0.08 -0.26 -0.96 3.07 1.82 -1.94 -1.13 116.42 117.10 2ksi h ASP 6 Ca 0.74 0.09 0.17 0.00 -0.39 0.00 0.00 57.03 57.64 2ksi h ASP 6 Cb 2.64 0.18 -0.08 0.00 0.68 0.00 0.00 39.33 42.74 2ksi h ASP 6 CO -0.17 -0.09 0.60 -0.08 -1.61 0.00 0.00 179.24 177.90 2ksi h GLU 7 N 0.01 0.69 0.08 0.28 4.81 -0.55 -2.44 114.58 117.46 2ksi h GLU 7 Ca 0.15 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.35 2ksi h GLU 7 Cb 0.22 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 2ksi h GLU 7 CO -0.31 0.45 -0.46 0.28 -0.73 0.00 0.00 179.01 178.25 2ksi h VAL 8 N 0.71 0.00 -0.61 0.32 2.07 -1.23 0.29 116.25 117.80 2ksi h VAL 8 Ca 0.51 0.00 0.13 0.00 0.82 0.00 0.00 66.70 68.15 2ksi h VAL 8 Cb 0.85 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.52 2ksi h VAL 8 CO -0.27 0.00 0.03 -0.26 0.02 0.00 0.00 177.57 177.09 2ksi h PHE 9 N -0.63 0.02 -0.50 1.57 0.04 -1.41 -0.50 116.94 115.53 2ksi h PHE 9 Ca -0.00 0.04 0.02 0.00 2.80 0.00 0.00 57.97 60.83 2ksi h PHE 9 Cb 0.64 0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.85 2ksi h PHE 9 CO -0.45 -0.14 0.31 0.00 -0.60 0.00 0.00 178.31 177.43 2ksi h ALA 10 N 1.54 0.64 0.07 2.45 0.00 -1.17 -1.88 119.26 120.90 2ksi h ALA 10 Ca 0.32 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.23 2ksi h ALA 10 Cb 0.52 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2ksi h ALA 10 CO -0.50 0.02 -0.16 0.87 0.00 0.00 0.00 179.25 179.48 2ksi h LYS 11 N 0.62 -0.29 0.27 0.00 1.79 0.11 -0.53 116.57 118.54 2ksi h LYS 11 Ca 0.20 0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.69 2ksi h LYS 11 Cb -0.01 0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 30.67 2ksi h LYS 11 CO -0.08 -0.19 -0.44 0.82 -1.08 0.00 0.00 179.45 178.48 2ksi h ILE 12 N -0.30 0.12 -0.40 1.86 2.04 -1.00 -0.86 117.51 118.97 2ksi h ILE 12 Ca 0.03 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.97 2ksi h ILE 12 Cb 0.33 0.12 -0.09 0.00 -0.74 0.00 0.00 36.82 36.44 2ksi h ILE 12 CO -0.10 0.00 -0.19 0.00 0.00 0.00 0.00 178.15 177.86 2ksi h ALA 13 N -0.42 0.11 -0.59 1.87 0.00 -1.24 0.16 119.26 119.16 2ksi h ALA 13 Ca -0.01 0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.17 2ksi h ALA 13 Cb 0.74 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2ksi h ALA 13 CO -0.16 -0.55 0.40 0.87 0.00 0.00 0.00 179.25 179.81 2ksi h LYS 14 N -0.11 0.25 -0.17 0.00 1.57 -0.76 0.05 116.57 117.39 2ksi h LYS 14 Ca 0.20 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.81 2ksi h LYS 14 Cb 0.42 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 2ksi h LYS 14 CO -0.48 0.17 -0.53 -0.09 -0.57 0.00 0.00 179.45 177.95 2ksi h ARG 15 N 0.26 0.49 0.00 3.15 1.12 0.72 -2.81 114.38 117.32 2ksi h ARG 15 Ca 0.28 -0.30 0.00 0.00 -1.11 0.00 0.00 59.98 58.85 2ksi h ARG 15 Cb 0.75 0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.74 2ksi h ARG 15 CO -0.06 0.90 0.00 -0.07 -3.11 0.00 0.00 179.97 177.63 2ksi h LEU 16 N 0.38 0.00 -2.14 3.80 3.38 0.02 -2.62 115.31 118.14 2ksi h LEU 16 Ca 0.01 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.04 2ksi h LEU 16 Cb 1.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2ksi h LEU 16 CO 0.10 0.00 0.30 -0.33 0.09 0.00 0.00 178.44 178.60 2ksi h GLU 17 N 0.00 0.00 0.00 1.13 5.08 -1.25 0.41 114.58 119.94 2ksi h GLU 17 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 2ksi h GLU 17 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2ksi h GLU 17 CO 0.00 0.00 -0.61 1.03 -1.00 0.00 0.00 179.01 178.43 2ksi h SER 18 N 0.00 0.00 -0.83 1.42 0.87 -1.66 -3.45 113.55 109.90 2ksi h SER 18 Ca 0.09 0.00 -0.58 0.00 -1.23 0.00 0.00 61.79 60.08 2ksi h SER 18 Cb 0.70 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.63 2ksi h SER 18 CO -0.00 0.40 1.57 -0.38 -0.53 0.00 0.00 176.83 177.88 2ksi n ILE 19 N -3.11 0.05 -4.46 2.23 5.41 0.14 -4.92 119.36 114.71 2ksi n ILE 19 Ca 0.00 -0.30 -0.33 0.00 1.00 0.00 0.00 62.75 63.12 2ksi n ILE 19 Cb 0.71 -1.53 -0.10 0.00 -0.71 0.00 0.00 39.64 38.01 2ksi n ILE 19 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 2ksi s ASP 20 N 8.96 4.75 0.22 4.38 1.11 -1.26 -5.00 116.67 129.81 2ksi s ASP 20 Ca 1.15 -0.08 0.22 0.00 0.18 0.00 0.00 52.55 54.02 2ksi s ASP 20 Cb -0.85 -1.16 0.92 0.00 1.07 0.00 0.00 42.92 42.90 2ksi s ASP 20 CO 0.44 0.30 1.67 -0.81 1.18 0.00 0.00 175.17 177.96 2ksi n PRO 21 N 1.70 0.16 0.00 8.23 -0.04 -1.26 -2.32 135.00 141.47 2ksi n PRO 21 Ca -0.16 0.40 0.10 0.00 -0.04 0.00 0.00 63.50 63.80 2ksi n PRO 21 Cb 0.53 -1.81 0.48 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.73 2.01 -3.15 0.55 0.00 -1.26 -4.57 120.51 112.36 2ksi n ALA 22 Ca 0.02 -0.08 0.05 0.00 0.00 0.00 0.00 53.44 53.43 2ksi n ALA 22 Cb 0.22 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 18.32 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 -2.84 -0.64 0.43 0.00 3.04 -0.98 -5.18 114.94 108.76 2ksi s ASN 23 Ca 0.14 0.19 0.04 0.00 0.04 0.00 0.00 52.86 53.27 2ksi s ASN 23 Cb 0.14 1.45 -0.05 0.00 -1.54 0.00 0.00 41.25 41.25 2ksi s ASN 23 CO 0.36 -0.12 0.03 -0.13 -3.04 0.00 0.00 177.10 174.20 2ksi s ARG 24 N 2.93 1.98 0.08 0.43 1.81 -1.26 -4.45 118.95 120.48 2ksi s ARG 24 Ca 0.16 -2.18 0.00 0.00 -1.72 0.00 0.00 55.73 51.98 2ksi s ARG 24 Cb -0.06 -1.33 0.00 0.00 -0.45 0.00 0.00 34.95 33.10 2ksi s ARG 24 CO -0.19 -0.24 0.00 1.04 -0.68 0.00 0.00 175.30 175.23 2ksi n GLN 25 N -1.01 0.00 -3.50 3.54 6.02 -1.26 -5.07 117.38 116.10 2ksi n GLN 25 Ca -0.09 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.83 2ksi n GLN 25 Cb 0.67 -0.42 -0.08 0.00 1.02 0.00 0.00 30.24 31.43 2ksi n GLN 25 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2ksi s VAL 26 N -2.00 -0.69 -0.20 5.09 1.01 -1.26 -5.14 120.40 117.21 2ksi s VAL 26 Ca 0.00 0.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.98 2ksi s VAL 26 Cb 0.00 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 2ksi s VAL 26 CO 0.00 -0.01 0.01 -1.61 0.00 0.00 0.00 175.10 173.49 2ksi s GLU 27 N 2.63 3.65 0.12 2.72 2.02 -1.26 -5.07 118.70 123.51 2ksi s GLU 27 Ca 0.05 -0.51 -0.25 0.00 0.02 0.00 0.00 54.97 54.29 2ksi s GLU 27 Cb -0.14 -3.09 0.08 0.00 0.10 0.00 0.00 34.13 31.09 2ksi s GLU 27 CO -0.15 0.04 1.10 -1.01 0.02 0.00 0.00 175.26 175.26 2ksi s HIS 28 N 0.93 0.00 -0.08 1.61 3.76 -1.26 -5.12 115.29 115.14 2ksi s HIS 28 Ca 0.01 -0.29 -0.16 0.00 -0.15 0.00 0.00 55.06 54.47 2ksi s HIS 28 Cb -0.14 0.64 -0.05 0.00 1.11 0.00 0.00 32.58 34.14 2ksi s HIS 28 CO 0.02 -0.70 0.42 0.08 -0.85 0.00 0.00 174.74 173.71 2ksi s VAL 29 N -2.44 5.14 0.01 -0.90 1.01 -1.26 -4.36 120.40 117.60 2ksi s VAL 29 Ca 0.20 0.84 0.07 0.00 0.00 0.00 0.00 61.98 63.09 2ksi s VAL 29 Cb -0.01 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 2ksi s VAL 29 CO 0.02 0.44 -0.21 -0.31 0.00 0.00 0.00 175.10 175.04 2ksi s TYR 30 N -0.10 1.87 -0.10 5.22 2.02 -1.23 -3.13 117.35 121.90 2ksi s TYR 30 Ca 0.23 -0.36 -0.02 0.00 -0.37 0.00 0.00 57.07 56.55 2ksi s TYR 30 Cb -0.15 -1.17 -0.03 0.00 -0.40 0.00 0.00 41.96 40.20 2ksi s TYR 30 CO 0.10 0.02 0.00 0.21 -1.57 0.00 0.00 175.55 174.31 2ksi s LYS 31 N -0.75 3.15 -0.14 -0.62 2.20 0.21 -0.18 119.74 123.62 2ksi s LYS 31 Ca 0.08 -0.42 -0.00 0.00 -0.36 0.00 0.00 55.97 55.27 2ksi s LYS 31 Cb -0.08 -2.84 0.03 0.00 -1.51 0.00 0.00 37.83 33.43 2ksi s LYS 31 CO 0.00 0.61 -0.07 -0.06 -0.36 0.00 0.00 175.35 175.47 2ksi s PHE 32 N -0.63 1.62 -0.13 4.03 0.08 0.15 0.02 117.98 123.12 2ksi s PHE 32 Ca 0.10 -0.92 -0.11 0.00 0.12 0.00 0.00 56.93 56.13 2ksi s PHE 32 Cb -0.12 -1.29 -0.05 0.00 -0.57 0.00 0.00 43.02 40.99 2ksi s PHE 32 CO 0.02 -0.57 0.23 1.03 -0.10 0.00 0.00 175.22 175.83 2ksi s ARG 33 N 1.66 3.89 -0.62 0.44 0.52 0.30 0.71 118.95 125.84 2ksi s ARG 33 Ca 0.03 0.01 -0.03 0.00 -0.52 0.00 0.00 55.73 55.22 2ksi s ARG 33 Cb -0.14 -3.30 0.16 0.00 0.52 0.00 0.00 34.95 32.19 2ksi s ARG 33 CO -0.08 0.52 0.44 0.42 0.02 0.00 0.00 175.30 176.62 2ksi s ILE 34 N -0.36 3.73 0.42 1.52 -1.09 -0.66 -2.19 121.20 122.57 2ksi s ILE 34 Ca 0.16 -2.93 0.08 0.00 -2.23 0.00 0.00 60.65 55.72 2ksi s ILE 34 Cb -0.13 -3.44 0.01 0.00 -1.58 0.00 0.00 42.46 37.33 2ksi s ILE 34 CO 0.04 -0.88 0.57 0.42 -1.23 0.00 0.00 174.94 173.87 2ksi s THR 35 N -0.03 3.07 -0.31 2.92 -4.23 -0.95 -3.12 115.64 112.99 2ksi s THR 35 Ca 0.17 -0.98 -0.02 0.00 -1.18 0.00 0.00 61.69 59.68 2ksi s THR 35 Cb -0.20 -3.03 0.11 0.00 1.34 0.00 0.00 72.50 70.71 2ksi s THR 35 CO -0.03 -0.01 0.13 0.00 -0.54 0.00 0.00 174.62 174.16 2ksi s GLN 36 N -4.36 0.55 0.00 3.99 -2.07 -0.88 -1.77 119.66 115.13 2ksi s GLN 36 Ca 0.54 -0.96 0.00 0.00 -1.82 0.00 0.00 55.36 53.13 2ksi s GLN 36 Cb -0.10 -1.66 0.00 0.00 -1.09 0.00 0.00 33.01 30.16 2ksi s GLN 36 CO 0.33 -1.03 0.00 0.41 -1.32 0.00 0.00 175.29 173.69 2ksi n GLY 37 N 4.85 2.50 0.00 2.60 0.00 -1.26 -4.06 105.19 109.82 2ksi n GLY 37 Ca -0.02 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 0.04 3.86 -0.02 0.00 -1.26 -5.13 105.19 102.68 2ksi n GLY 38 Ca 0.00 -0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 3.64 0.31 1.61 2.20 -1.26 -5.04 119.74 121.21 2ksi s LYS 39 Ca 0.00 0.08 -0.28 0.00 -0.36 0.00 0.00 55.97 55.41 2ksi s LYS 39 Cb 0.00 -3.18 -0.09 0.00 -1.51 0.00 0.00 37.83 33.05 2ksi s LYS 39 CO 0.00 0.72 1.11 0.08 -0.36 0.00 0.00 175.35 176.90 2ksi s VAL 40 N -1.11 3.42 0.00 4.02 1.01 -1.26 -2.06 120.40 124.43 2ksi s VAL 40 Ca 0.21 1.35 0.00 0.00 0.00 0.00 0.00 61.98 63.54 2ksi s VAL 40 Cb -0.14 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.41 2ksi s VAL 40 CO 0.10 0.26 0.00 1.33 0.00 0.00 0.00 175.10 176.79 2ksi n VAL 41 N 0.85 0.00 -3.56 2.92 0.24 -1.19 -4.93 118.33 112.66 2ksi n VAL 41 Ca 0.00 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.14 2ksi n VAL 41 Cb 0.45 -0.46 -0.06 0.00 -1.47 0.00 0.00 33.84 32.30 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 -1.98 0.95 0.18 7.34 3.01 -1.18 -5.09 119.74 122.97 2ksi s LYS 42 Ca 0.00 0.48 0.04 0.00 -1.01 0.00 0.00 55.97 55.48 2ksi s LYS 42 Cb 0.00 0.45 -0.04 0.00 -1.01 0.00 0.00 37.83 37.24 2ksi s LYS 42 CO 0.00 -0.25 0.25 -0.80 0.51 0.00 0.00 175.35 175.06 2ksi s ASN 43 N -0.68 6.03 0.01 2.83 -0.87 -1.26 -1.65 114.94 119.36 2ksi s ASN 43 Ca -0.07 0.03 -0.03 0.00 -1.57 0.00 0.00 52.86 51.22 2ksi s ASN 43 Cb -0.02 -1.72 -0.01 0.00 -0.02 0.00 0.00 41.25 39.48 2ksi s ASN 43 CO 0.06 0.03 0.04 0.26 -2.57 0.00 0.00 177.10 174.92 2ksi s TRP 44 N -1.82 0.17 0.01 2.20 0.51 0.22 -2.80 118.94 117.43 2ksi s TRP 44 Ca 0.33 -0.37 0.05 0.00 -2.12 0.00 0.00 56.10 53.99 2ksi s TRP 44 Cb -0.10 -0.13 -0.02 0.00 -0.81 0.00 0.00 33.47 32.41 2ksi s TRP 44 CO 0.27 -0.23 -0.14 0.14 -0.51 0.00 0.00 176.95 176.48 2ksi s VAL 45 N -1.41 1.12 -0.45 4.03 -7.23 0.80 0.31 120.40 117.57 2ksi s VAL 45 Ca -0.15 -0.77 -0.15 0.00 -1.81 0.00 0.00 61.98 59.09 2ksi s VAL 45 Cb -0.09 -0.97 0.06 0.00 0.56 0.00 0.00 36.38 35.94 2ksi s VAL 45 CO 0.00 0.19 0.36 -0.32 -0.31 0.00 0.00 175.10 175.02 2ksi s MET 46 N -0.67 2.96 -1.16 4.82 1.75 0.74 -1.86 119.30 125.89 2ksi s MET 46 Ca 0.04 -1.26 -0.20 0.00 -1.25 0.00 0.00 55.69 53.03 2ksi s MET 46 Cb -0.06 -4.07 0.07 0.00 2.84 0.00 0.00 34.83 33.61 2ksi s MET 46 CO 0.00 -0.94 1.56 -0.51 -0.65 0.00 0.00 175.02 174.48 2ksi s ASP 47 N 2.31 6.71 0.18 1.11 1.11 0.32 -3.55 116.67 124.86 2ksi s ASP 47 Ca 0.04 -2.07 0.24 0.00 0.18 0.00 0.00 52.55 50.94 2ksi s ASP 47 Cb -0.23 -2.55 0.91 0.00 1.07 0.00 0.00 42.92 42.12 2ksi s ASP 47 CO 0.07 -1.26 1.72 0.18 1.18 0.00 0.00 175.17 177.06 2ksi n LEU 48 N 8.26 0.55 -0.07 1.23 7.99 -1.26 -1.05 117.00 132.65 2ksi n LEU 48 Ca 0.40 0.60 -0.13 0.00 -0.01 0.00 0.00 56.01 56.87 2ksi n LEU 48 Cb 0.48 -0.48 -0.11 0.00 -0.11 0.00 0.00 43.42 43.20 2ksi n LEU 48 CO 0.70 -0.34 0.23 0.50 -1.51 0.00 0.00 177.39 176.97 2ksi h LYS 49 N 0.00 0.00 -0.00 3.23 3.64 -1.85 -3.33 116.57 118.25 2ksi h LYS 49 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2ksi h LYS 49 Cb 0.48 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 2ksi h LYS 49 CO 0.00 0.87 -0.17 -1.71 -2.27 0.00 0.00 179.45 176.17 2ksi n ASN 50 N -4.61 0.44 -2.44 4.20 5.15 -1.22 -4.93 115.26 111.85 2ksi n ASN 50 Ca -0.11 -0.38 -0.13 0.00 -0.60 0.00 0.00 54.58 53.35 2ksi n ASN 50 Cb 0.44 -0.07 0.05 0.00 -0.53 0.00 0.00 39.78 39.67 2ksi n ASN 50 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 2ksi n VAL 51 N -1.10 -2.43 -3.99 3.44 0.31 -0.26 -5.03 118.33 109.26 2ksi n VAL 51 Ca 0.12 -0.10 -0.10 0.00 -0.01 0.00 0.00 64.34 64.25 2ksi n VAL 51 Cb 0.30 -3.36 -0.06 0.00 -0.91 0.00 0.00 33.84 29.81 2ksi n VAL 51 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2ksi s LYS 52 N -5.51 1.37 -0.05 5.55 -0.14 -0.21 -4.69 119.74 116.06 2ksi s LYS 52 Ca 0.25 -1.25 0.06 0.00 -1.36 0.00 0.00 55.97 53.67 2ksi s LYS 52 Cb -0.11 0.42 -0.02 0.00 -1.68 0.00 0.00 37.83 36.44 2ksi s LYS 52 CO 0.45 -0.54 -0.23 -0.51 -0.76 0.00 0.00 175.35 173.76 2ksi s LEU 53 N -3.01 2.20 0.17 3.17 1.02 -1.26 -0.52 118.68 120.45 2ksi s LEU 53 Ca 0.22 -0.45 0.01 0.00 0.02 0.00 0.00 54.13 53.93 2ksi s LEU 53 Cb 0.02 -1.41 -0.04 0.00 0.02 0.00 0.00 46.19 44.77 2ksi s LEU 53 CO 0.06 0.27 0.04 0.68 0.02 0.00 0.00 176.35 177.42 2ksi s VAL 54 N -0.30 0.42 -0.46 -1.59 -7.23 -0.78 -4.95 120.40 105.51 2ksi s VAL 54 Ca 0.01 -1.96 -0.16 0.00 -1.81 0.00 0.00 61.98 58.06 2ksi s VAL 54 Cb -0.13 -2.19 0.06 0.00 0.56 0.00 0.00 36.38 34.68 2ksi s VAL 54 CO 0.02 -0.38 0.39 -1.83 -0.31 0.00 0.00 175.10 173.00 2ksi s GLU 55 N -3.99 2.99 0.04 4.82 1.03 -1.26 -0.14 118.70 122.18 2ksi s GLU 55 Ca 0.27 -1.23 -0.28 0.00 0.03 0.00 0.00 54.97 53.76 2ksi s GLU 55 Cb 0.07 -4.09 0.09 0.00 -0.80 0.00 0.00 34.13 29.40 2ksi s GLU 55 CO 0.05 -0.97 0.94 -1.12 -1.33 0.00 0.00 175.26 172.83 2ksi s SER 56 N 2.37 -0.28 -0.17 0.83 0.01 -1.12 -4.85 113.70 110.49 2ksi s SER 56 Ca 0.05 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.18 2ksi s SER 56 Cb -0.23 0.40 0.03 0.00 0.21 0.00 0.00 66.02 66.43 2ksi s SER 56 CO 0.08 -0.68 -0.12 1.51 0.41 0.00 0.00 173.24 174.44 2ksi s ASP 57 N -2.64 2.99 0.11 2.44 -4.77 -1.26 -2.85 116.67 110.70 2ksi s ASP 57 Ca 0.08 -0.67 -0.07 0.00 -3.30 0.00 0.00 52.55 48.58 2ksi s ASP 57 Cb -0.01 -1.17 -0.01 0.00 -1.09 0.00 0.00 42.92 40.64 2ksi s ASP 57 CO -0.05 -0.11 0.19 -1.81 0.70 0.00 0.00 175.17 174.09 2ksi s ASP 58 N 1.47 0.14 -0.78 2.11 1.01 -1.26 -5.08 116.67 114.28 2ksi s ASP 58 Ca 0.02 -0.79 -0.26 0.00 0.71 0.00 0.00 52.55 52.24 2ksi s ASP 58 Cb -0.14 0.35 -0.11 0.00 1.01 0.00 0.00 42.92 44.03 2ksi s ASP 58 CO -0.09 -0.77 2.29 0.00 0.21 0.00 0.00 175.17 176.81 2ksi s ALA 59 N -3.91 1.05 0.15 5.23 0.00 -1.26 -4.93 121.76 118.10 2ksi s ALA 59 Ca 0.10 -0.87 -0.05 0.00 0.00 0.00 0.00 51.96 51.14 2ksi s ALA 59 Cb 0.05 -4.54 -0.06 0.00 0.00 0.00 0.00 23.12 18.57 2ksi s ALA 59 CO -0.07 -5.46 0.40 0.00 0.00 0.00 0.00 175.76 170.63 2ksi s ALA 60 N 13.28 3.77 0.46 0.00 0.00 -1.26 -4.98 121.76 133.03 2ksi s ALA 60 Ca 0.87 -0.54 0.35 0.00 0.00 0.00 0.00 51.96 52.64 2ksi s ALA 60 Cb -0.12 -2.16 1.81 0.00 0.00 0.00 0.00 23.12 22.65 2ksi s ALA 60 CO 0.08 0.65 2.18 1.49 0.00 0.00 0.00 175.76 180.16 2ksi h GLU 61 N 2.76 0.00 -3.42 0.00 4.22 -1.90 -3.41 114.58 112.83 2ksi h GLU 61 Ca -0.46 0.00 -0.35 0.00 0.08 0.00 0.00 59.36 58.63 2ksi h GLU 61 Cb 1.17 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 30.05 2ksi h GLU 61 CO 0.72 0.04 -0.74 0.00 -2.18 0.00 0.00 179.01 176.86 2ksi s ALA 62 N -4.12 0.20 -0.20 2.92 0.00 -1.23 -4.68 121.76 114.64 2ksi s ALA 62 Ca -0.03 0.22 -0.08 0.00 0.00 0.00 0.00 51.96 52.07 2ksi s ALA 62 Cb 0.12 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 2ksi s ALA 62 CO 0.51 -0.33 0.09 0.99 0.00 0.00 0.00 175.76 177.02 2ksi s THR 63 N 1.71 4.90 -0.25 0.00 2.01 0.24 -0.61 115.64 123.64 2ksi s THR 63 Ca -0.01 0.01 0.01 0.00 0.31 0.00 0.00 61.69 62.02 2ksi s THR 63 Cb -0.12 -3.24 0.07 0.00 0.01 0.00 0.00 72.50 69.21 2ksi s THR 63 CO -0.03 0.42 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.51 2ksi s LEU 64 N 0.64 2.94 -0.19 4.42 1.02 0.10 -0.42 118.68 127.20 2ksi s LEU 64 Ca 0.05 -1.33 -0.08 0.00 0.02 0.00 0.00 54.13 52.78 2ksi s LEU 64 Cb -0.13 -1.29 -0.04 0.00 0.02 0.00 0.00 46.19 44.75 2ksi s LEU 64 CO 0.01 -0.25 0.08 -0.89 0.02 0.00 0.00 176.35 175.32 2ksi s THR 65 N 1.30 4.92 0.10 5.49 2.01 -1.07 -0.54 115.64 127.84 2ksi s THR 65 Ca -0.04 0.01 -0.21 0.00 0.31 0.00 0.00 61.69 61.76 2ksi s THR 65 Cb -0.19 -3.23 0.05 0.00 0.01 0.00 0.00 72.50 69.15 2ksi s THR 65 CO -0.07 0.45 0.52 -0.04 -0.69 0.00 0.00 174.62 174.79 2ksi s MET 66 N 0.39 1.12 0.45 4.92 -1.94 -0.93 -3.84 119.30 119.48 2ksi s MET 66 Ca 0.04 -0.40 -0.07 0.00 -1.71 0.00 0.00 55.69 53.55 2ksi s MET 66 Cb -0.12 0.51 -0.05 0.00 2.01 0.00 0.00 34.83 37.18 2ksi s MET 66 CO -0.00 -0.44 0.78 -1.21 -0.01 0.00 0.00 175.02 174.14 2ksi s GLU 67 N -3.13 3.63 0.13 2.03 2.02 -1.26 -2.24 118.70 119.88 2ksi s GLU 67 Ca -0.02 0.31 -0.28 0.00 0.02 0.00 0.00 54.97 55.00 2ksi s GLU 67 Cb -0.00 -2.38 -0.04 0.00 0.10 0.00 0.00 34.13 31.81 2ksi s GLU 67 CO -0.07 -0.15 1.59 0.22 0.02 0.00 0.00 175.26 176.87 2ksi h ASP 68 N 0.61 -1.20 -0.93 -0.19 3.58 -1.68 -0.63 116.42 115.98 2ksi h ASP 68 Ca -0.47 0.16 0.18 0.00 0.42 0.00 0.00 57.03 57.33 2ksi h ASP 68 Cb 1.20 0.49 -0.11 0.00 1.72 0.00 0.00 39.33 42.63 2ksi h ASP 68 CO 0.63 -0.41 0.51 -0.78 -2.88 0.00 0.00 179.24 176.31 2ksi h ASP 69 N -0.46 0.61 -0.72 2.28 1.82 -1.95 0.24 116.42 118.23 2ksi h ASP 69 Ca 0.08 0.11 -0.02 0.00 -0.39 0.00 0.00 57.03 56.81 2ksi h ASP 69 Cb 0.60 0.01 -0.03 0.00 0.68 0.00 0.00 39.33 40.59 2ksi h ASP 69 CO -0.38 0.19 0.37 0.40 -1.61 0.00 0.00 179.24 178.21 2ksi h ILE 70 N 0.64 1.23 -0.76 2.25 1.08 -1.55 -2.39 117.51 118.00 2ksi h ILE 70 Ca 0.54 -0.62 0.14 0.00 -0.39 0.00 0.00 64.86 64.53 2ksi h ILE 70 Cb 0.86 0.31 -0.09 0.00 -3.07 0.00 0.00 36.82 34.83 2ksi h ILE 70 CO -0.41 0.26 0.32 -0.03 -0.69 0.00 0.00 178.15 177.61 2ksi h MET 71 N 1.00 0.46 -0.02 2.37 4.05 0.33 0.60 114.93 123.73 2ksi h MET 71 Ca 0.25 -0.03 -0.11 0.00 -0.28 0.00 0.00 59.70 59.53 2ksi h MET 71 Cb 0.09 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 30.77 2ksi h MET 71 CO -0.04 0.30 -0.52 0.35 0.23 0.00 0.00 176.91 177.24 2ksi h PHE 72 N 0.47 0.05 0.20 1.39 3.57 -1.31 0.71 116.94 122.03 2ksi h PHE 72 Ca 0.42 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.89 2ksi h PHE 72 Cb 0.62 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.35 2ksi h PHE 72 CO -0.15 0.55 -0.10 0.00 -2.23 0.00 0.00 178.31 176.38 2ksi h ALA 73 N 1.45 -0.27 -0.14 2.41 0.00 -0.30 -3.29 119.26 119.13 2ksi h ALA 73 Ca -0.00 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 2ksi h ALA 73 Cb 0.93 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2ksi h ALA 73 CO 0.07 -0.25 -0.62 0.82 0.00 0.00 0.00 179.25 179.27 2ksi h ILE 74 N -1.07 1.34 -0.93 0.00 2.04 -0.02 0.35 117.51 119.22 2ksi h ILE 74 Ca -0.03 -1.92 0.22 0.00 1.00 0.00 0.00 64.86 64.13 2ksi h ILE 74 Cb 0.21 1.91 -0.12 0.00 -0.74 0.00 0.00 36.82 38.07 2ksi h ILE 74 CO 0.05 0.59 0.48 1.23 0.00 0.00 0.00 178.15 180.49 2ksi h GLY 75 N 1.15 1.66 -2.36 5.37 0.00 0.33 0.29 103.07 109.51 2ksi h GLY 75 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2ksi h GLY 75 CO 0.11 -0.23 0.00 -0.37 0.00 0.00 0.00 176.54 176.05 2ksi n THR 76 N -4.96 0.76 -2.79 4.70 5.66 -1.21 -4.64 114.28 111.80 2ksi n THR 76 Ca 0.23 -0.88 -0.19 0.00 -3.05 0.00 0.00 64.05 60.16 2ksi n THR 76 Cb 0.66 0.73 0.02 0.00 -1.55 0.00 0.00 70.33 70.20 2ksi n THR 76 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2ksi n GLY 77 N 1.46 -0.36 0.18 1.09 0.00 0.10 -4.74 105.19 102.92 2ksi n GLY 77 Ca 0.21 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 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 0.87 0.13 -2.54 4.61 0.00 -0.54 -3.46 119.26 118.33 2ksi h ALA 78 Ca -0.45 -0.64 -0.60 0.00 0.00 0.00 0.00 54.91 53.22 2ksi h ALA 78 Cb 1.32 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 19.03 2ksi h ALA 78 CO 0.50 0.57 -0.70 -0.51 0.00 0.00 0.00 179.25 179.10 2ksi s LEU 79 N -8.23 2.96 -0.43 0.00 1.43 -1.21 -5.04 118.68 108.16 2ksi s LEU 79 Ca -0.11 -0.71 -0.28 0.00 -1.03 0.00 0.00 54.13 52.00 2ksi s LEU 79 Cb 0.06 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.72 2ksi s LEU 79 CO 0.89 0.05 1.76 -2.16 0.23 0.00 0.00 176.35 177.11 2ksi s PRO 80 N -3.30 3.15 0.55 1.29 0.04 -1.26 -4.65 135.00 130.82 2ksi s PRO 80 Ca 0.28 1.09 0.25 0.00 0.04 0.00 0.00 61.00 62.66 2ksi s PRO 80 Cb -0.07 -4.23 1.44 0.00 0.04 0.00 0.00 34.50 31.68 2ksi s PRO 80 CO 0.17 -2.08 2.04 0.00 0.04 0.00 0.00 177.00 177.17 2ksi h ALA 81 N 13.17 2.23 -0.01 8.56 0.00 -1.97 -0.51 119.26 140.74 2ksi h ALA 81 Ca -0.30 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 2ksi h ALA 81 Cb 1.16 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2ksi h ALA 81 CO 1.10 -0.45 -0.01 -0.22 0.00 0.00 0.00 179.25 179.66 2ksi h LYS 82 N 0.00 0.02 -0.45 0.00 3.64 -1.99 -2.89 116.57 114.90 2ksi h LYS 82 Ca 0.16 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 2ksi h LYS 82 Cb 0.71 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 2ksi h LYS 82 CO -0.00 0.56 0.17 1.49 -2.27 0.00 0.00 179.45 179.40 2ksi h GLU 83 N -0.52 0.67 -0.28 1.90 4.22 -1.76 0.20 114.58 119.01 2ksi h GLU 83 Ca 0.00 -0.13 0.07 0.00 0.08 0.00 0.00 59.36 59.38 2ksi h GLU 83 Cb 0.56 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.63 2ksi h GLU 83 CO 0.00 0.62 -0.20 0.00 -2.18 0.00 0.00 179.01 177.25 2ksi h ALA 84 N 1.02 -0.02 0.00 2.92 0.00 -1.19 -0.81 119.26 121.18 2ksi h ALA 84 Ca 0.15 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 2ksi h ALA 84 Cb 0.20 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2ksi h ALA 84 CO -0.01 -0.61 -0.48 0.52 0.00 0.00 0.00 179.25 178.67 2ksi h MET 85 N -0.18 0.00 0.00 0.00 2.86 -1.40 -3.07 114.93 113.13 2ksi h MET 85 Ca 0.15 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.76 2ksi h MET 85 Cb 0.41 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.07 2ksi h MET 85 CO -0.39 0.48 -0.14 0.00 1.06 0.00 0.00 176.91 177.92 2ksi h ALA 86 N 1.52 1.74 -0.37 6.32 0.00 0.76 -1.85 119.26 127.37 2ksi h ALA 86 Ca -0.00 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.61 2ksi h ALA 86 Cb 1.10 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.77 2ksi h ALA 86 CO 0.06 0.17 0.22 1.04 0.00 0.00 0.00 179.25 180.74 2ksi n GLN 87 N -4.33 1.70 -2.25 0.00 6.02 -0.58 -4.83 117.38 113.11 2ksi n GLN 87 Ca -0.03 -1.23 -0.08 0.00 -0.01 0.00 0.00 57.00 55.66 2ksi n GLN 87 Cb 0.21 -1.54 -0.01 0.00 1.02 0.00 0.00 30.24 29.92 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 -0.09 -2.67 -0.72 1.08 8.00 -0.69 -4.75 116.55 116.71 2ksi n ASP 88 Ca 0.22 0.29 0.12 0.00 0.71 0.00 0.00 54.79 56.13 2ksi n ASP 88 Cb 0.91 -2.38 0.34 0.00 -0.02 0.00 0.00 41.12 39.97 2ksi n ASP 88 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2ksi n LYS 89 N -2.49 1.97 -3.70 -1.24 4.76 -1.21 -4.90 118.16 111.35 2ksi n LYS 89 Ca -0.09 -1.43 -0.14 0.00 -2.87 0.00 0.00 58.31 53.78 2ksi n LYS 89 Cb 0.51 -1.46 -0.08 0.00 -1.84 0.00 0.00 35.03 32.16 2ksi n LYS 89 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 2ksi s MET 90 N -1.88 0.71 -0.27 1.97 -1.94 -1.26 -4.90 119.30 111.73 2ksi s MET 90 Ca 0.34 0.08 0.03 0.00 -1.71 0.00 0.00 55.69 54.43 2ksi s MET 90 Cb 0.20 0.33 0.07 0.00 2.01 0.00 0.00 34.83 37.43 2ksi s MET 90 CO 0.31 -0.19 -0.07 -1.21 -0.01 0.00 0.00 175.02 173.85 2ksi s GLU 91 N -0.95 1.98 -0.02 2.03 8.01 -1.25 -4.84 118.70 123.66 2ksi s GLU 91 Ca -0.10 -1.34 0.07 0.00 0.01 0.00 0.00 54.97 53.62 2ksi s GLU 91 Cb -0.04 -2.85 -0.02 0.00 -4.31 0.00 0.00 34.13 26.91 2ksi s GLU 91 CO 0.05 -0.63 -0.25 0.08 0.01 0.00 0.00 175.26 174.52 2ksi s VAL 92 N 1.15 1.94 -0.16 2.63 1.01 -1.26 -2.59 120.40 123.11 2ksi s VAL 92 Ca -0.05 -1.05 -0.02 0.00 0.00 0.00 0.00 61.98 60.86 2ksi s VAL 92 Cb -0.20 -1.61 0.05 0.00 0.00 0.00 0.00 36.38 34.62 2ksi s VAL 92 CO -0.06 0.55 0.00 -1.81 0.00 0.00 0.00 175.10 173.78 2ksi s ASP 93 N -0.54 2.67 0.00 3.32 1.11 0.44 -5.00 116.67 118.67 2ksi s ASP 93 Ca 0.08 -0.65 0.00 0.00 0.18 0.00 0.00 52.55 52.16 2ksi s ASP 93 Cb -0.10 -0.68 0.00 0.00 1.07 0.00 0.00 42.92 43.21 2ksi s ASP 93 CO -0.01 -0.25 0.00 0.61 1.18 0.00 0.00 175.17 176.71 2ksi n GLY 94 N 5.00 1.62 3.62 0.21 0.00 -1.26 0.82 105.19 115.21 2ksi n GLY 94 Ca -0.09 -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 -0.65 1.86 -0.31 1.61 -0.06 -1.26 -4.83 117.38 113.73 2ksi n GLN 95 Ca 0.00 0.63 0.11 0.00 -2.00 0.00 0.00 57.00 55.74 2ksi n GLN 95 Cb 0.00 -2.66 0.23 0.00 -4.06 0.00 0.00 30.24 23.75 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 6.04 0.16 -0.13 1.69 2.07 -1.99 0.22 116.25 124.32 2ksi h VAL 96 Ca -0.43 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.09 2ksi h VAL 96 Cb 1.28 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 2ksi h VAL 96 CO 0.97 0.01 -0.02 -0.33 0.02 0.00 0.00 177.57 178.22 2ksi h GLU 97 N 0.06 0.02 -0.40 1.57 5.08 -1.96 0.35 114.58 119.31 2ksi h GLU 97 Ca 0.52 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.96 2ksi h GLU 97 Cb 1.01 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.16 2ksi h GLU 97 CO -0.82 0.01 -0.31 -0.07 -1.00 0.00 0.00 179.01 176.83 2ksi h LEU 98 N 0.02 -1.03 -1.07 1.33 3.38 -0.94 0.34 115.31 117.34 2ksi h LEU 98 Ca 0.06 0.19 -0.07 0.00 0.09 0.00 0.00 57.88 58.15 2ksi h LEU 98 Cb 0.08 0.49 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2ksi h LEU 98 CO -0.11 -0.31 -0.34 0.16 0.09 0.00 0.00 178.44 177.93 2ksi h ILE 99 N -0.24 0.85 0.00 1.22 3.07 -1.19 -2.59 117.51 118.64 2ksi h ILE 99 Ca 0.18 -1.37 0.00 0.00 1.55 0.00 0.00 64.86 65.21 2ksi h ILE 99 Cb 0.53 1.84 0.00 0.00 -0.27 0.00 0.00 36.82 38.92 2ksi h ILE 99 CO -0.53 0.33 0.00 0.15 -1.05 0.00 0.00 178.15 177.05 2ksi h PHE 100 N 0.00 0.00 -0.00 0.16 3.57 0.23 -3.09 116.94 117.80 2ksi h PHE 100 Ca -0.00 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.30 2ksi h PHE 100 Cb 0.81 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 2ksi h PHE 100 CO 0.00 0.00 -0.87 -0.07 -2.23 0.00 0.00 178.31 175.14 2ksi h LEU 101 N 0.00 0.33 0.00 0.59 3.38 -0.03 -3.09 115.31 116.48 2ksi h LEU 101 Ca 0.00 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2ksi h LEU 101 Cb 0.64 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2ksi h LEU 101 CO 0.00 1.05 -0.18 0.18 0.09 0.00 0.00 178.44 179.59 2ksi n LEU 102 N -3.69 0.32 0.20 1.67 4.32 -1.17 -3.93 117.00 114.72 2ksi n LEU 102 Ca -0.04 0.37 -0.15 0.00 -0.02 0.00 0.00 56.01 56.17 2ksi n LEU 102 Cb 0.80 -0.38 -0.08 0.00 -1.62 0.00 0.00 43.42 42.14 2ksi n LEU 102 CO 0.48 -0.01 0.73 -0.33 -1.22 0.00 0.00 177.39 177.05 2ksi h GLU 103 N 0.00 -0.44 0.00 3.23 5.08 -1.51 -1.01 114.58 119.92 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 0.57 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2ksi h GLU 103 CO 0.00 -0.27 0.00 -0.35 -1.00 0.00 0.00 179.01 177.39 2ksi n PRO 104 N -5.27 0.01 0.02 2.33 -0.04 -1.25 -2.07 135.00 128.72 2ksi n PRO 104 Ca -0.10 0.26 0.11 0.00 -0.04 0.00 0.00 63.50 63.73 2ksi n PRO 104 Cb 0.21 -1.51 -0.07 0.00 -0.04 0.00 0.00 33.50 32.09 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 -1.53 0.19 -0.32 0.54 3.72 -0.91 -4.29 117.46 114.87 2ksi n PHE 105 Ca 0.03 0.06 0.01 0.00 -0.05 0.00 0.00 57.45 57.50 2ksi n PHE 105 Cb 0.17 -0.43 0.14 0.00 -0.94 0.00 0.00 39.48 38.42 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 1.04 -0.98 4.37 2.04 -0.62 -1.70 117.51 121.66 2ksi h ILE 106 Ca 0.00 -0.34 0.11 0.00 1.00 0.00 0.00 64.86 65.63 2ksi h ILE 106 Cb 0.81 -0.03 -0.08 0.00 -0.74 0.00 0.00 36.82 36.78 2ksi h ILE 106 CO 0.00 0.18 0.63 0.00 0.00 0.00 0.00 178.15 178.96 2ksi h ALA 107 N 1.41 1.53 -0.80 1.87 0.00 -1.75 -0.24 119.26 121.27 2ksi h ALA 107 Ca 0.38 0.01 0.23 0.00 0.00 0.00 0.00 54.91 55.53 2ksi h ALA 107 Cb 0.17 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2ksi h ALA 107 CO -0.17 0.25 0.63 1.03 0.00 0.00 0.00 179.25 180.99 2ksi h SER 108 N 1.01 0.00 -4.31 0.00 0.87 -1.56 -3.41 113.55 106.15 2ksi h SER 108 Ca 0.47 0.00 -0.46 0.00 -1.23 0.00 0.00 61.79 60.57 2ksi h SER 108 Cb 0.42 0.00 0.13 0.00 -0.44 0.00 0.00 62.40 62.51 2ksi h SER 108 CO -0.23 0.00 0.33 -0.76 -0.53 0.00 0.00 176.83 175.64 2ksi s LEU 109 N -8.21 2.15 0.00 2.23 1.02 -0.10 -5.01 118.68 110.75 2ksi s LEU 109 Ca -0.05 0.85 0.00 0.00 0.02 0.00 0.00 54.13 54.95 2ksi s LEU 109 Cb 0.20 -3.18 0.00 0.00 0.02 0.00 0.00 46.19 43.23 2ksi s LEU 109 CO 0.71 -2.44 0.45 0.29 0.02 0.00 0.00 176.35 175.38