#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 7.12 -0.05 7.83 0.01 -1.26 -5.05 113.70 122.30 2ksi s SER 2 Ca 0.00 1.33 -0.17 0.00 1.31 0.00 0.00 55.95 58.42 2ksi s SER 2 Cb 0.00 -2.43 -0.05 0.00 0.21 0.00 0.00 66.02 63.74 2ksi s SER 2 CO 0.00 0.01 0.47 -0.76 0.41 0.00 0.00 173.24 173.36 2ksi s LEU 3 N 0.10 4.38 0.46 2.44 1.43 -1.26 -4.95 118.68 121.28 2ksi s LEU 3 Ca 0.37 0.93 0.31 0.00 -1.03 0.00 0.00 54.13 54.71 2ksi s LEU 3 Cb -0.19 -2.69 1.42 0.00 0.03 0.00 0.00 46.19 44.76 2ksi s LEU 3 CO 0.21 0.15 1.66 0.11 0.23 0.00 0.00 176.35 178.71 2ksi h LYS 4 N 5.70 0.12 -1.03 1.70 6.56 -1.98 0.48 116.57 128.11 2ksi h LYS 4 Ca -0.46 -0.01 0.30 0.00 -1.06 0.00 0.00 60.65 59.42 2ksi h LYS 4 Cb 1.20 -0.03 -0.04 0.00 -0.57 0.00 0.00 32.23 32.79 2ksi h LYS 4 CO 0.69 0.08 0.97 0.66 -2.06 0.00 0.00 179.45 179.78 2ksi h SER 5 N 0.12 0.00 -0.47 0.86 4.64 -1.92 0.21 113.55 116.99 2ksi h SER 5 Ca 0.77 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 62.17 2ksi h SER 5 Cb 2.50 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 64.52 2ksi h SER 5 CO -0.31 0.00 0.08 -2.24 -0.87 0.00 0.00 176.83 173.49 2ksi h ASP 6 N 0.00 -0.04 -0.98 4.97 2.03 -0.43 -0.82 116.42 121.16 2ksi h ASP 6 Ca 0.49 0.09 0.18 0.00 -0.73 0.00 0.00 57.03 57.06 2ksi h ASP 6 Cb 2.42 0.13 -0.09 0.00 -0.83 0.00 0.00 39.33 40.96 2ksi h ASP 6 CO -0.01 0.01 0.61 -0.08 -1.03 0.00 0.00 179.24 178.75 2ksi h GLU 7 N 0.21 0.70 0.47 4.15 4.57 -0.78 -2.29 114.58 121.61 2ksi h GLU 7 Ca 0.24 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.36 2ksi h GLU 7 Cb 0.32 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 2ksi h GLU 7 CO -0.32 0.47 -0.47 0.28 -1.18 0.00 0.00 179.01 177.78 2ksi h VAL 8 N 0.73 0.00 -0.75 0.32 2.07 -1.26 0.28 116.25 117.64 2ksi h VAL 8 Ca 0.53 0.00 0.15 0.00 0.82 0.00 0.00 66.70 68.20 2ksi h VAL 8 Cb 0.88 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.55 2ksi h VAL 8 CO -0.31 0.00 0.26 -0.26 0.02 0.00 0.00 177.57 177.29 2ksi h PHE 9 N -0.94 0.44 -0.43 1.57 0.04 -1.35 -0.53 116.94 115.74 2ksi h PHE 9 Ca -0.06 0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.73 2ksi h PHE 9 Cb 0.82 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.87 2ksi h PHE 9 CO -0.25 0.01 0.19 0.00 -0.60 0.00 0.00 178.31 177.67 2ksi h ALA 10 N 1.57 0.56 -0.25 2.45 0.00 -1.05 -2.47 119.26 120.08 2ksi h ALA 10 Ca 0.42 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.24 2ksi h ALA 10 Cb 0.67 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2ksi h ALA 10 CO -0.44 0.14 0.02 0.87 0.00 0.00 0.00 179.25 179.84 2ksi h LYS 11 N 0.56 0.11 -0.26 0.00 1.79 0.11 -0.55 116.57 118.32 2ksi h LYS 11 Ca 0.15 -0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.66 2ksi h LYS 11 Cb 0.15 -0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 30.73 2ksi h LYS 11 CO -0.02 0.07 -0.03 0.82 -1.08 0.00 0.00 179.45 179.21 2ksi h ILE 12 N 0.11 0.78 0.09 1.86 2.04 -1.09 -1.63 117.51 119.67 2ksi h ILE 12 Ca 0.11 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.97 2ksi h ILE 12 Cb 0.13 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 2ksi h ILE 12 CO -0.17 0.01 -0.12 0.00 0.00 0.00 0.00 178.15 177.87 2ksi h ALA 13 N 1.24 -0.20 -0.38 1.87 0.00 -1.08 -1.41 119.26 119.30 2ksi h ALA 13 Ca 0.12 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.12 2ksi h ALA 13 Cb 0.18 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2ksi h ALA 13 CO -0.24 -0.64 0.36 -0.22 0.00 0.00 0.00 179.25 178.52 2ksi h LYS 14 N -0.24 0.00 0.01 0.00 3.64 -0.79 0.16 116.57 119.35 2ksi h LYS 14 Ca 0.01 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.18 2ksi h LYS 14 Cb 0.25 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 2ksi h LYS 14 CO -0.05 0.00 -0.92 -0.09 -2.27 0.00 0.00 179.45 176.11 2ksi h ARG 15 N 0.00 0.26 0.00 1.90 9.65 -0.30 -3.14 114.38 122.76 2ksi h ARG 15 Ca 0.18 -0.29 -0.03 0.00 -1.10 0.00 0.00 59.98 58.74 2ksi h ARG 15 Cb 0.91 0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 29.57 2ksi h ARG 15 CO -0.00 1.02 -0.13 -0.07 2.80 0.00 0.00 179.97 183.58 2ksi h LEU 16 N 0.14 0.00 -2.31 3.80 3.38 -0.12 -2.56 115.31 117.64 2ksi h LEU 16 Ca -0.06 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.95 2ksi h LEU 16 Cb 1.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.31 2ksi h LEU 16 CO 0.15 0.13 0.18 -0.33 0.09 0.00 0.00 178.44 178.66 2ksi h GLU 17 N 0.00 0.00 0.00 1.13 5.08 -1.45 0.29 114.58 119.63 2ksi h GLU 17 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ksi h GLU 17 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2ksi h GLU 17 CO 0.02 0.00 -0.19 1.03 -1.00 0.00 0.00 179.01 178.86 2ksi h SER 18 N 0.00 0.00 -0.90 1.42 0.87 -1.65 -3.45 113.55 109.85 2ksi h SER 18 Ca 0.06 -0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 60.05 2ksi h SER 18 Cb 0.42 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.35 2ksi h SER 18 CO -0.00 0.00 1.58 -0.38 -0.53 0.00 0.00 176.83 177.50 2ksi n ILE 19 N -2.96 0.05 -4.42 2.23 5.41 0.10 -4.92 119.36 114.85 2ksi n ILE 19 Ca 0.03 -0.34 -0.31 0.00 1.00 0.00 0.00 62.75 63.13 2ksi n ILE 19 Cb 0.53 -1.62 -0.10 0.00 -0.71 0.00 0.00 39.64 37.73 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 9.19 4.52 0.09 4.38 1.11 -1.26 -5.01 116.67 129.69 2ksi s ASP 20 Ca 1.14 -0.22 0.17 0.00 0.18 0.00 0.00 52.55 53.82 2ksi s ASP 20 Cb -0.79 -0.99 0.74 0.00 1.07 0.00 0.00 42.92 42.94 2ksi s ASP 20 CO 0.43 0.25 1.54 -0.81 1.18 0.00 0.00 175.17 177.76 2ksi n PRO 21 N 1.34 0.07 0.00 8.23 -0.04 -1.26 -2.34 135.00 140.99 2ksi n PRO 21 Ca -0.15 0.32 0.10 0.00 -0.04 0.00 0.00 63.50 63.73 2ksi n PRO 21 Cb 0.52 -1.63 0.46 0.00 -0.04 0.00 0.00 33.50 32.82 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 -1.60 1.99 -3.15 0.55 0.00 -1.26 -4.61 120.51 112.43 2ksi n ALA 22 Ca 0.03 -0.07 0.05 0.00 0.00 0.00 0.00 53.44 53.45 2ksi n ALA 22 Cb 0.19 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.28 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 -3.01 -0.42 0.00 0.00 2.47 -0.99 -5.18 114.94 107.81 2ksi s ASN 23 Ca 0.10 0.13 0.00 0.00 0.42 0.00 0.00 52.86 53.52 2ksi s ASN 23 Cb 0.14 1.30 0.00 0.00 -1.45 0.00 0.00 41.25 41.24 2ksi s ASN 23 CO 0.40 -0.08 0.00 0.54 -3.72 0.00 0.00 177.10 174.24 2ksi n ARG 24 N 5.27 2.25 -2.94 0.43 5.12 -1.25 -4.46 116.66 121.08 2ksi n ARG 24 Ca 0.02 0.00 0.02 0.00 -1.93 0.00 0.00 57.85 55.96 2ksi n ARG 24 Cb 0.56 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.86 2ksi n ARG 24 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2ksi s GLN 25 N -1.26 0.37 0.06 5.56 -0.21 -1.26 -5.10 119.66 117.82 2ksi s GLN 25 Ca 0.00 -0.09 0.00 0.00 0.02 0.00 0.00 55.36 55.29 2ksi s GLN 25 Cb 0.00 0.05 0.00 0.00 1.00 0.00 0.00 33.01 34.06 2ksi s GLN 25 CO 0.00 -0.55 0.00 0.28 -2.12 0.00 0.00 175.29 172.90 2ksi n VAL 26 N 4.06-11.36 -4.85 1.09 0.31 -1.26 -5.02 118.33 101.29 2ksi n VAL 26 Ca 0.07 2.64 -0.32 0.00 -0.01 0.00 0.00 64.34 66.73 2ksi n VAL 26 Cb 0.61 -5.35 -0.17 0.00 -0.91 0.00 0.00 33.84 28.02 2ksi n VAL 26 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2ksi s GLU 27 N -0.94 2.96 0.15 5.55 2.02 -1.26 -5.10 118.70 122.07 2ksi s GLU 27 Ca 0.00 -0.84 -0.24 0.00 0.02 0.00 0.00 54.97 53.91 2ksi s GLU 27 Cb 0.00 -2.33 0.08 0.00 0.10 0.00 0.00 34.13 31.97 2ksi s GLU 27 CO 0.00 0.05 1.05 -1.01 0.02 0.00 0.00 175.26 175.37 2ksi s HIS 28 N 0.65 0.00 0.13 1.61 3.76 -1.26 -5.16 115.29 115.02 2ksi s HIS 28 Ca -0.11 -0.33 -0.21 0.00 -0.15 0.00 0.00 55.06 54.25 2ksi s HIS 28 Cb -0.16 0.66 -0.07 0.00 1.11 0.00 0.00 32.58 34.12 2ksi s HIS 28 CO 0.02 -0.81 0.66 0.08 -0.85 0.00 0.00 174.74 173.84 2ksi s VAL 29 N -2.51 4.59 -0.01 -0.90 1.01 -1.26 -4.73 120.40 116.58 2ksi s VAL 29 Ca 0.19 1.38 0.05 0.00 0.00 0.00 0.00 61.98 63.60 2ksi s VAL 29 Cb -0.01 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 2ksi s VAL 29 CO 0.03 0.49 -0.17 -0.31 0.00 0.00 0.00 175.10 175.14 2ksi s TYR 30 N -1.19 1.57 -0.09 5.22 2.02 -1.26 -3.28 117.35 120.34 2ksi s TYR 30 Ca 0.33 -0.30 -0.02 0.00 -0.37 0.00 0.00 57.07 56.72 2ksi s TYR 30 Cb -0.20 -1.01 -0.03 0.00 -0.40 0.00 0.00 41.96 40.31 2ksi s TYR 30 CO 0.22 -0.03 -0.01 0.21 -1.57 0.00 0.00 175.55 174.37 2ksi s LYS 31 N -0.40 2.98 -0.14 -0.62 2.47 0.05 -1.28 119.74 122.80 2ksi s LYS 31 Ca 0.06 -0.43 -0.00 0.00 -1.56 0.00 0.00 55.97 54.04 2ksi s LYS 31 Cb -0.07 -2.77 0.03 0.00 -1.46 0.00 0.00 37.83 33.56 2ksi s LYS 31 CO -0.01 0.68 -0.07 -0.06 0.16 0.00 0.00 175.35 176.06 2ksi s PHE 32 N -0.83 1.62 -0.16 4.03 0.08 0.10 -0.82 117.98 122.01 2ksi s PHE 32 Ca 0.13 -0.93 -0.06 0.00 0.12 0.00 0.00 56.93 56.18 2ksi s PHE 32 Cb -0.11 -1.29 -0.04 0.00 -0.57 0.00 0.00 43.02 41.01 2ksi s PHE 32 CO 0.02 -0.57 0.05 1.03 -0.10 0.00 0.00 175.22 175.65 2ksi s ARG 33 N 1.66 3.80 -0.65 0.44 1.81 -0.17 0.97 118.95 126.81 2ksi s ARG 33 Ca 0.03 -0.35 -0.04 0.00 -1.72 0.00 0.00 55.73 53.64 2ksi s ARG 33 Cb -0.14 -3.13 0.17 0.00 -0.45 0.00 0.00 34.95 31.40 2ksi s ARG 33 CO -0.08 0.36 0.48 0.42 -0.68 0.00 0.00 175.30 175.79 2ksi s ILE 34 N 0.12 3.94 0.43 1.52 -1.09 -0.85 -1.29 121.20 123.99 2ksi s ILE 34 Ca 0.04 -2.88 0.07 0.00 -2.23 0.00 0.00 60.65 55.65 2ksi s ILE 34 Cb -0.12 -3.55 0.01 0.00 -1.58 0.00 0.00 42.46 37.22 2ksi s ILE 34 CO 0.01 -0.89 0.59 0.42 -1.23 0.00 0.00 174.94 173.84 2ksi s THR 35 N -0.01 3.01 -0.31 2.92 -4.23 -1.15 -2.93 115.64 112.94 2ksi s THR 35 Ca 0.17 -0.96 -0.02 0.00 -1.18 0.00 0.00 61.69 59.69 2ksi s THR 35 Cb -0.19 -3.02 0.11 0.00 1.34 0.00 0.00 72.50 70.74 2ksi s THR 35 CO -0.04 -0.01 0.13 0.00 -0.54 0.00 0.00 174.62 174.17 2ksi s GLN 36 N -4.39 0.41 0.00 3.99 -2.07 -0.75 -3.42 119.66 113.43 2ksi s GLN 36 Ca 0.55 -0.82 0.00 0.00 -1.82 0.00 0.00 55.36 53.27 2ksi s GLN 36 Cb -0.10 -1.44 0.00 0.00 -1.09 0.00 0.00 33.01 30.38 2ksi s GLN 36 CO 0.34 -1.04 0.00 0.41 -1.32 0.00 0.00 175.29 173.68 2ksi n GLY 37 N 4.95 2.50 0.00 2.60 0.00 -1.26 -4.08 105.19 109.90 2ksi n GLY 37 Ca -0.02 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 3.89 -0.02 0.00 -1.26 -5.14 105.19 102.66 2ksi n GLY 38 Ca 0.00 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2ksi n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ksi s LYS 39 N -0.23 3.55 0.38 1.61 1.02 -1.26 -5.04 119.74 119.78 2ksi s LYS 39 Ca 0.00 -0.12 -0.25 0.00 0.02 0.00 0.00 55.97 55.63 2ksi s LYS 39 Cb 0.00 -3.09 -0.09 0.00 -0.52 0.00 0.00 37.83 34.13 2ksi s LYS 39 CO 0.00 0.66 1.05 0.08 -0.92 0.00 0.00 175.35 176.23 2ksi s VAL 40 N -1.28 3.71 0.00 3.17 1.01 -1.26 -1.82 120.40 123.94 2ksi s VAL 40 Ca 0.26 1.36 0.00 0.00 0.00 0.00 0.00 61.98 63.60 2ksi s VAL 40 Cb -0.13 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.52 2ksi s VAL 40 CO 0.15 0.06 0.00 1.33 0.00 0.00 0.00 175.10 176.64 2ksi n VAL 41 N 0.10 0.00 -3.52 2.92 0.24 -1.15 -4.91 118.33 112.01 2ksi n VAL 41 Ca 0.04 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.19 2ksi n VAL 41 Cb 0.49 -0.04 -0.05 0.00 -1.47 0.00 0.00 33.84 32.77 2ksi n VAL 41 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2ksi s LYS 42 N -1.73 1.10 0.25 7.34 2.47 -1.17 -5.08 119.74 122.91 2ksi s LYS 42 Ca 0.00 -0.12 0.08 0.00 -1.56 0.00 0.00 55.97 54.37 2ksi s LYS 42 Cb 0.00 0.51 -0.04 0.00 -1.46 0.00 0.00 37.83 36.84 2ksi s LYS 42 CO 0.00 -0.40 0.08 -0.80 0.16 0.00 0.00 175.35 174.39 2ksi s ASN 43 N -1.89 5.00 -0.05 1.43 -0.87 -1.26 -2.00 114.94 115.30 2ksi s ASN 43 Ca -0.06 -0.44 -0.04 0.00 -1.57 0.00 0.00 52.86 50.75 2ksi s ASN 43 Cb -0.01 -1.11 0.02 0.00 -0.02 0.00 0.00 41.25 40.13 2ksi s ASN 43 CO -0.00 -0.00 0.13 0.26 -2.57 0.00 0.00 177.10 174.91 2ksi s TRP 44 N -2.17 -0.14 0.02 2.20 0.51 0.27 -3.27 118.94 116.37 2ksi s TRP 44 Ca 0.32 0.36 0.09 0.00 -2.12 0.00 0.00 56.10 54.74 2ksi s TRP 44 Cb -0.07 0.03 -0.03 0.00 -0.81 0.00 0.00 33.47 32.59 2ksi s TRP 44 CO 0.22 -0.08 -0.26 0.08 -0.51 0.00 0.00 176.95 176.40 2ksi s VAL 45 N 0.20 2.09 -0.63 4.03 1.01 0.13 0.02 120.40 127.26 2ksi s VAL 45 Ca -0.01 -1.29 -0.15 0.00 0.00 0.00 0.00 61.98 60.53 2ksi s VAL 45 Cb -0.02 -1.77 0.16 0.00 0.00 0.00 0.00 36.38 34.74 2ksi s VAL 45 CO -0.01 0.43 0.57 -0.32 0.00 0.00 0.00 175.10 175.77 2ksi s MET 46 N -1.04 3.13 -1.14 2.72 1.75 -0.40 -2.18 119.30 122.14 2ksi s MET 46 Ca 0.11 -1.97 -0.21 0.00 -1.25 0.00 0.00 55.69 52.37 2ksi s MET 46 Cb -0.10 -4.30 0.03 0.00 2.84 0.00 0.00 34.83 33.30 2ksi s MET 46 CO 0.01 -1.30 1.69 0.34 -0.65 0.00 0.00 175.02 175.11 2ksi s ASP 47 N 3.00 6.29 0.00 1.11 -1.08 0.12 -4.05 116.67 122.06 2ksi s ASP 47 Ca 0.08 -1.80 0.28 0.00 -0.52 0.00 0.00 52.55 50.59 2ksi s ASP 47 Cb -0.23 -2.58 1.27 0.00 -1.46 0.00 0.00 42.92 39.92 2ksi s ASP 47 CO -0.01 -1.72 1.92 0.18 0.52 0.00 0.00 175.17 176.05 2ksi n LEU 48 N 10.01 0.00 -0.07 -1.34 4.32 -1.26 -0.30 117.00 128.36 2ksi n LEU 48 Ca 0.42 0.42 -0.08 0.00 -0.02 0.00 0.00 56.01 56.75 2ksi n LEU 48 Cb 0.48 -0.42 -0.05 0.00 -1.62 0.00 0.00 43.42 41.81 2ksi n LEU 48 CO 0.70 -0.02 -0.06 0.11 -1.22 0.00 0.00 177.39 176.90 2ksi h LYS 49 N 0.00 0.00 -0.01 3.23 1.57 -1.91 -3.36 116.57 116.10 2ksi h LYS 49 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ksi h LYS 49 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2ksi h LYS 49 CO 0.00 0.41 -0.11 0.09 -0.57 0.00 0.00 179.45 179.27 2ksi n ASN 50 N -4.65 0.64 -2.27 0.86 4.13 -1.25 -4.94 115.26 107.79 2ksi n ASN 50 Ca -0.09 -0.76 -0.09 0.00 1.68 0.00 0.00 54.58 55.31 2ksi n ASN 50 Cb 0.28 -0.03 0.05 0.00 -1.54 0.00 0.00 39.78 38.54 2ksi n ASN 50 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2ksi n VAL 51 N -0.78 -3.05 -4.07 2.41 0.31 -0.59 -5.05 118.33 107.51 2ksi n VAL 51 Ca 0.15 -0.24 -0.11 0.00 -0.01 0.00 0.00 64.34 64.13 2ksi n VAL 51 Cb 0.28 -3.75 -0.06 0.00 -0.91 0.00 0.00 33.84 29.40 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 -4.79 1.52 -0.31 5.55 1.02 0.59 -4.72 119.74 118.59 2ksi s LYS 52 Ca 0.02 -1.45 -0.01 0.00 0.02 0.00 0.00 55.97 54.56 2ksi s LYS 52 Cb -0.01 0.41 0.10 0.00 -0.52 0.00 0.00 37.83 37.81 2ksi s LYS 52 CO 0.39 -0.60 0.10 -0.51 -0.92 0.00 0.00 175.35 173.80 2ksi s LEU 53 N -3.10 2.31 0.61 3.17 1.02 -1.26 0.15 118.68 121.58 2ksi s LEU 53 Ca 0.29 -1.65 0.07 0.00 0.02 0.00 0.00 54.13 52.86 2ksi s LEU 53 Cb 0.01 -0.89 0.10 0.00 0.02 0.00 0.00 46.19 45.43 2ksi s LEU 53 CO 0.12 -0.41 0.84 0.68 0.02 0.00 0.00 176.35 177.59 2ksi s VAL 54 N 1.60 2.15 -0.30 -1.59 -7.23 -0.93 -4.92 120.40 109.18 2ksi s VAL 54 Ca 0.10 -0.91 -0.06 0.00 -1.81 0.00 0.00 61.98 59.30 2ksi s VAL 54 Cb -0.17 -2.24 0.02 0.00 0.56 0.00 0.00 36.38 34.55 2ksi s VAL 54 CO -0.25 0.00 0.07 -1.83 -0.31 0.00 0.00 175.10 172.78 2ksi s GLU 55 N -4.77 2.92 0.09 4.82 1.03 -1.26 0.20 118.70 121.73 2ksi s GLU 55 Ca 0.63 -0.96 -0.27 0.00 0.03 0.00 0.00 54.97 54.40 2ksi s GLU 55 Cb -0.06 -3.34 0.08 0.00 -0.80 0.00 0.00 34.13 30.01 2ksi s GLU 55 CO 0.40 -0.50 0.97 -1.12 -1.33 0.00 0.00 175.26 173.68 2ksi s SER 56 N 1.45 -0.22 -0.16 0.83 0.01 -1.20 -4.83 113.70 109.58 2ksi s SER 56 Ca 0.01 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.00 2ksi s SER 56 Cb -0.18 0.43 0.03 0.00 0.21 0.00 0.00 66.02 66.52 2ksi s SER 56 CO 0.02 -0.78 -0.11 1.51 0.41 0.00 0.00 173.24 174.29 2ksi s ASP 57 N -2.81 2.84 0.16 2.44 1.47 -1.26 -2.71 116.67 116.81 2ksi s ASP 57 Ca 0.10 -0.61 -0.12 0.00 1.18 0.00 0.00 52.55 53.10 2ksi s ASP 57 Cb -0.01 -1.10 0.01 0.00 -0.34 0.00 0.00 42.92 41.48 2ksi s ASP 57 CO -0.01 -0.11 0.36 -1.81 0.68 0.00 0.00 175.17 174.28 2ksi s ASP 58 N 1.52 -0.08 -0.84 2.11 1.01 -1.26 -5.09 116.67 114.04 2ksi s ASP 58 Ca 0.02 -0.67 -0.25 0.00 0.71 0.00 0.00 52.55 52.36 2ksi s ASP 58 Cb -0.14 0.48 -0.03 0.00 1.01 0.00 0.00 42.92 44.23 2ksi s ASP 58 CO -0.09 -0.93 1.88 0.00 0.21 0.00 0.00 175.17 176.24 2ksi s ALA 59 N -3.91 1.87 0.35 5.23 0.00 -1.26 -4.94 121.76 119.09 2ksi s ALA 59 Ca 0.12 -1.36 -0.03 0.00 0.00 0.00 0.00 51.96 50.69 2ksi s ALA 59 Cb 0.02 -4.49 -0.04 0.00 0.00 0.00 0.00 23.12 18.61 2ksi s ALA 59 CO -0.03 -4.50 0.59 0.00 0.00 0.00 0.00 175.76 171.82 2ksi s ALA 60 N 9.44 3.61 0.44 0.00 0.00 -1.26 -4.98 121.76 129.02 2ksi s ALA 60 Ca 0.67 -0.69 0.27 0.00 0.00 0.00 0.00 51.96 52.21 2ksi s ALA 60 Cb -0.08 -2.27 1.49 0.00 0.00 0.00 0.00 23.12 22.26 2ksi s ALA 60 CO 0.04 0.03 2.10 1.49 0.00 0.00 0.00 175.76 179.41 2ksi h GLU 61 N 1.04 0.00 -3.54 0.00 4.22 -1.92 -3.41 114.58 110.97 2ksi h GLU 61 Ca -0.48 0.00 -0.37 0.00 0.08 0.00 0.00 59.36 58.59 2ksi h GLU 61 Cb 1.20 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 30.09 2ksi h GLU 61 CO 0.63 0.10 -0.75 0.00 -2.18 0.00 0.00 179.01 176.82 2ksi s ALA 62 N -4.29 0.35 -0.24 2.92 0.00 -1.22 -4.70 121.76 114.57 2ksi s ALA 62 Ca -0.03 0.12 -0.10 0.00 0.00 0.00 0.00 51.96 51.95 2ksi s ALA 62 Cb 0.14 -0.52 -0.05 0.00 0.00 0.00 0.00 23.12 22.69 2ksi s ALA 62 CO 0.58 -0.32 0.15 0.99 0.00 0.00 0.00 175.76 177.17 2ksi s THR 63 N 1.67 5.30 -0.28 0.00 2.01 0.20 -0.77 115.64 123.78 2ksi s THR 63 Ca -0.01 0.16 0.02 0.00 0.31 0.00 0.00 61.69 62.17 2ksi s THR 63 Cb -0.13 -3.47 0.08 0.00 0.01 0.00 0.00 72.50 68.99 2ksi s THR 63 CO -0.03 0.35 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.48 2ksi s LEU 64 N 1.02 3.19 -0.20 4.42 1.02 0.00 -0.48 118.68 127.65 2ksi s LEU 64 Ca 0.07 -1.53 -0.10 0.00 0.02 0.00 0.00 54.13 52.60 2ksi s LEU 64 Cb -0.13 -1.29 -0.05 0.00 0.02 0.00 0.00 46.19 44.74 2ksi s LEU 64 CO 0.04 -0.29 0.13 -0.89 0.02 0.00 0.00 176.35 175.35 2ksi s THR 65 N 1.27 5.35 -0.07 5.49 2.01 -1.18 -1.00 115.64 127.51 2ksi s THR 65 Ca 0.00 0.17 -0.26 0.00 0.31 0.00 0.00 61.69 61.91 2ksi s THR 65 Cb -0.19 -3.44 0.06 0.00 0.01 0.00 0.00 72.50 68.94 2ksi s THR 65 CO -0.09 0.43 0.59 -0.04 -0.69 0.00 0.00 174.62 174.82 2ksi s MET 66 N 0.42 0.93 0.66 4.92 -1.94 -0.41 -4.08 119.30 119.80 2ksi s MET 66 Ca 0.07 0.24 -0.08 0.00 -1.71 0.00 0.00 55.69 54.21 2ksi s MET 66 Cb -0.11 0.44 0.03 0.00 2.01 0.00 0.00 34.83 37.19 2ksi s MET 66 CO -0.01 -0.27 1.00 -1.21 -0.01 0.00 0.00 175.02 174.52 2ksi s GLU 67 N -1.03 2.69 0.12 2.03 2.02 -1.26 -2.95 118.70 120.32 2ksi s GLU 67 Ca -0.10 0.08 -0.30 0.00 0.02 0.00 0.00 54.97 54.67 2ksi s GLU 67 Cb -0.02 -2.16 -0.08 0.00 0.10 0.00 0.00 34.13 31.97 2ksi s GLU 67 CO 0.08 -0.96 1.59 0.22 0.02 0.00 0.00 175.26 176.20 2ksi h ASP 68 N -0.45 -1.21 -0.96 -0.19 3.58 -1.90 -0.58 116.42 114.71 2ksi h ASP 68 Ca -0.45 0.14 0.21 0.00 0.42 0.00 0.00 57.03 57.36 2ksi h ASP 68 Cb 1.27 0.47 -0.08 0.00 1.72 0.00 0.00 39.33 42.71 2ksi h ASP 68 CO 0.62 -0.46 0.62 -0.78 -2.88 0.00 0.00 179.24 176.36 2ksi h ASP 69 N -0.59 0.51 -0.13 2.28 1.82 -1.94 0.23 116.42 118.59 2ksi h ASP 69 Ca 0.04 0.06 -0.10 0.00 -0.39 0.00 0.00 57.03 56.65 2ksi h ASP 69 Cb 0.65 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.62 2ksi h ASP 69 CO -0.28 0.18 -0.22 0.40 -1.61 0.00 0.00 179.24 177.71 2ksi h ILE 70 N 0.50 1.26 -0.24 2.25 1.08 -1.52 0.29 117.51 121.12 2ksi h ILE 70 Ca 0.52 -1.25 -0.02 0.00 -0.39 0.00 0.00 64.86 63.73 2ksi h ILE 70 Cb 1.18 1.27 -0.01 0.00 -3.07 0.00 0.00 36.82 36.19 2ksi h ILE 70 CO -0.25 0.40 0.07 0.24 -0.69 0.00 0.00 178.15 177.92 2ksi h MET 71 N 0.50 0.38 -0.01 2.37 2.86 0.61 0.41 114.93 122.05 2ksi h MET 71 Ca 0.08 -0.09 -0.14 0.00 -2.06 0.00 0.00 59.70 57.49 2ksi h MET 71 Cb 0.65 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 2ksi h MET 71 CO 0.05 0.47 -0.68 0.35 1.06 0.00 0.00 176.91 178.16 2ksi h PHE 72 N 0.22 0.04 0.22 -0.22 3.57 -1.35 0.36 116.94 119.78 2ksi h PHE 72 Ca 0.08 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 2ksi h PHE 72 Cb 0.25 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.99 2ksi h PHE 72 CO 0.01 0.70 -0.10 0.00 -2.23 0.00 0.00 178.31 176.68 2ksi h ALA 73 N 1.30 -0.29 -0.06 2.41 0.00 -0.75 -3.17 119.26 118.69 2ksi h ALA 73 Ca -0.01 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 2ksi h ALA 73 Cb 1.20 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2ksi h ALA 73 CO 0.09 -0.28 -0.29 0.82 0.00 0.00 0.00 179.25 179.59 2ksi h ILE 74 N -1.06 1.44 -1.06 0.00 2.04 -0.29 -0.11 117.51 118.47 2ksi h ILE 74 Ca -0.03 -1.72 0.28 0.00 1.00 0.00 0.00 64.86 64.39 2ksi h ILE 74 Cb 0.27 2.37 -0.09 0.00 -0.74 0.00 0.00 36.82 38.63 2ksi h ILE 74 CO 0.05 0.49 0.69 1.23 0.00 0.00 0.00 178.15 180.61 2ksi h GLY 75 N -0.21 1.13 1.17 5.37 0.00 -0.32 0.39 103.07 110.60 2ksi h GLY 75 Ca -0.02 -0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 2ksi h GLY 75 CO 0.06 -0.14 -0.97 -0.91 0.00 0.00 0.00 176.54 174.58 2ksi h THR 76 N 0.35 0.20 -0.12 4.70 1.35 -1.56 -3.42 112.91 114.41 2ksi h THR 76 Ca 0.60 -1.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 2ksi h THR 76 Cb 1.60 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 69.79 2ksi h THR 76 CO -0.28 0.11 0.00 0.61 -0.25 0.00 0.00 175.52 175.71 2ksi n GLY 77 N 1.23 0.94 0.15 5.82 0.00 0.14 -4.66 105.19 108.81 2ksi n GLY 77 Ca -0.02 -0.55 -0.24 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.02 -3.08 4.61 0.00 -1.26 -3.47 119.26 116.04 2ksi h ALA 78 Ca 0.00 -0.99 -0.65 0.00 0.00 0.00 0.00 54.91 53.27 2ksi h ALA 78 Cb 0.65 0.31 -0.18 0.00 0.00 0.00 0.00 17.79 18.57 2ksi h ALA 78 CO 0.00 0.84 -0.80 -0.51 0.00 0.00 0.00 179.25 178.78 2ksi s LEU 79 N -7.46 2.53 -0.06 0.00 1.43 -1.23 -5.06 118.68 108.83 2ksi s LEU 79 Ca -0.12 -0.84 -0.30 0.00 -1.03 0.00 0.00 54.13 51.84 2ksi s LEU 79 Cb 0.05 -1.23 -0.05 0.00 0.03 0.00 0.00 46.19 44.99 2ksi s LEU 79 CO 0.91 0.11 1.49 -2.16 0.23 0.00 0.00 176.35 176.93 2ksi s PRO 80 N -2.77 4.22 0.51 1.29 0.04 -1.26 -4.64 135.00 132.39 2ksi s PRO 80 Ca 0.22 2.02 0.25 0.00 0.04 0.00 0.00 61.00 63.53 2ksi s PRO 80 Cb -0.08 -3.79 1.35 0.00 0.04 0.00 0.00 34.50 32.02 2ksi s PRO 80 CO 0.11 -0.73 2.05 0.00 0.04 0.00 0.00 177.00 178.47 2ksi h ALA 81 N 8.67 1.34 0.06 8.56 0.00 -1.98 -2.08 119.26 133.83 2ksi h ALA 81 Ca -0.36 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 2ksi h ALA 81 Cb 1.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2ksi h ALA 81 CO 0.94 0.17 -0.03 -0.22 0.00 0.00 0.00 179.25 180.12 2ksi h LYS 82 N 0.00 -0.08 -0.45 0.00 3.64 -1.99 -2.95 116.57 114.74 2ksi h LYS 82 Ca -0.00 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2ksi h LYS 82 Cb 0.35 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 2ksi h LYS 82 CO 0.02 0.43 0.25 1.49 -2.27 0.00 0.00 179.45 179.37 2ksi h GLU 83 N -0.64 0.63 -0.41 1.90 4.81 -1.93 0.31 114.58 119.25 2ksi h GLU 83 Ca -0.01 -0.07 0.09 0.00 -0.13 0.00 0.00 59.36 59.23 2ksi h GLU 83 Cb 0.55 -0.12 -0.08 0.00 0.63 0.00 0.00 28.75 29.72 2ksi h GLU 83 CO 0.01 0.50 -0.16 0.00 -0.73 0.00 0.00 179.01 178.63 2ksi h ALA 84 N 1.09 0.17 0.00 2.92 0.00 -1.45 -0.54 119.26 121.46 2ksi h ALA 84 Ca 0.16 0.15 -0.11 0.00 0.00 0.00 0.00 54.91 55.11 2ksi h ALA 84 Cb 0.05 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2ksi h ALA 84 CO -0.03 -0.52 -0.54 0.52 0.00 0.00 0.00 179.25 178.69 2ksi h MET 85 N -0.08 0.00 -0.17 0.00 2.86 -1.33 -3.04 114.93 113.16 2ksi h MET 85 Ca 0.20 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.84 2ksi h MET 85 Cb 0.38 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 2ksi h MET 85 CO -0.46 0.54 0.10 0.00 1.06 0.00 0.00 176.91 178.14 2ksi h ALA 86 N 1.46 1.85 -0.49 6.32 0.00 0.12 -1.10 119.26 127.42 2ksi h ALA 86 Ca -0.01 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.66 2ksi h ALA 86 Cb 1.25 -0.07 -0.13 0.00 0.00 0.00 0.00 17.79 18.84 2ksi h ALA 86 CO 0.07 0.13 0.28 1.04 0.00 0.00 0.00 179.25 180.77 2ksi n GLN 87 N -4.49 1.98 -2.30 0.00 6.02 -0.71 -4.84 117.38 113.03 2ksi n GLN 87 Ca -0.00 -1.63 -0.09 0.00 -0.01 0.00 0.00 57.00 55.27 2ksi n GLN 87 Cb 0.09 -1.69 -0.01 0.00 1.02 0.00 0.00 30.24 29.65 2ksi n GLN 87 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2ksi n ASP 88 N -0.23 -3.00 -0.39 1.08 2.03 -0.42 -4.77 116.55 110.86 2ksi n ASP 88 Ca 0.28 0.27 0.12 0.00 0.52 0.00 0.00 54.79 55.99 2ksi n ASP 88 Cb 1.05 -2.63 0.53 0.00 -0.72 0.00 0.00 41.12 39.35 2ksi n ASP 88 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2ksi n LYS 89 N -2.58 1.52 -3.65 -0.67 4.76 -1.15 -4.86 118.16 111.53 2ksi n LYS 89 Ca -0.10 -0.77 -0.15 0.00 -2.87 0.00 0.00 58.31 54.41 2ksi n LYS 89 Cb 0.54 -1.43 -0.08 0.00 -1.84 0.00 0.00 35.03 32.23 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 -1.92 0.83 -0.26 1.97 -1.94 -1.26 -4.93 119.30 111.80 2ksi s MET 90 Ca 0.36 0.06 0.02 0.00 -1.71 0.00 0.00 55.69 54.41 2ksi s MET 90 Cb 0.19 0.38 0.07 0.00 2.01 0.00 0.00 34.83 37.48 2ksi s MET 90 CO 0.30 -0.24 -0.05 -1.21 -0.01 0.00 0.00 175.02 173.81 2ksi s GLU 91 N -1.18 1.70 0.03 2.03 2.02 -1.26 -4.87 118.70 117.18 2ksi s GLU 91 Ca -0.12 -1.20 0.07 0.00 0.02 0.00 0.00 54.97 53.74 2ksi s GLU 91 Cb -0.03 -2.71 -0.02 0.00 0.10 0.00 0.00 34.13 31.47 2ksi s GLU 91 CO 0.07 -0.66 -0.20 0.14 0.02 0.00 0.00 175.26 174.63 2ksi s VAL 92 N 1.27 1.57 -0.17 2.63 -7.23 -1.26 -3.10 120.40 114.11 2ksi s VAL 92 Ca -0.04 -1.10 -0.02 0.00 -1.81 0.00 0.00 61.98 59.02 2ksi s VAL 92 Cb -0.19 -1.36 0.05 0.00 0.56 0.00 0.00 36.38 35.44 2ksi s VAL 92 CO -0.07 0.22 0.00 -1.81 -0.31 0.00 0.00 175.10 173.13 2ksi s ASP 93 N -1.03 2.69 0.00 4.85 1.01 0.36 -5.01 116.67 119.54 2ksi s ASP 93 Ca 0.07 -0.66 0.00 0.00 0.71 0.00 0.00 52.55 52.67 2ksi s ASP 93 Cb -0.08 -0.67 0.00 0.00 1.01 0.00 0.00 42.92 43.17 2ksi s ASP 93 CO 0.01 -0.25 0.00 0.61 0.21 0.00 0.00 175.17 175.75 2ksi n GLY 94 N 5.01 1.58 3.59 0.21 0.00 -1.26 0.63 105.19 114.94 2ksi n GLY 94 Ca -0.09 -0.97 -0.48 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 1.75 -0.31 1.61 0.00 -1.26 -4.82 117.38 113.70 2ksi n GLN 95 Ca 0.00 0.57 0.17 0.00 -0.00 0.00 0.00 57.00 57.74 2ksi n GLN 95 Cb 0.00 -2.69 0.35 0.00 0.00 0.00 0.00 30.24 27.90 2ksi n GLN 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 2ksi h VAL 96 N 6.33 0.24 -0.19 1.69 2.07 -1.99 0.20 116.25 124.59 2ksi h VAL 96 Ca -0.40 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.10 2ksi h VAL 96 Cb 1.28 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 2ksi h VAL 96 CO 0.97 0.03 -0.06 -0.08 0.02 0.00 0.00 177.57 178.46 2ksi h GLU 97 N 0.18 -0.02 -0.45 1.57 4.81 -1.96 0.30 114.58 119.01 2ksi h GLU 97 Ca 0.62 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.94 2ksi h GLU 97 Cb 1.35 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.63 2ksi h GLU 97 CO -0.70 -0.01 -0.29 -0.07 -0.73 0.00 0.00 179.01 177.21 2ksi h LEU 98 N -0.02 -0.97 -1.10 1.64 3.38 -0.97 0.53 115.31 117.80 2ksi h LEU 98 Ca 0.10 0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 2ksi h LEU 98 Cb 0.16 0.48 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 2ksi h LEU 98 CO -0.21 -0.29 -0.05 0.16 0.09 0.00 0.00 178.44 178.14 2ksi h ILE 99 N -0.19 0.11 0.00 1.22 3.07 -1.27 -2.70 117.51 117.75 2ksi h ILE 99 Ca 0.20 -0.74 0.00 0.00 1.55 0.00 0.00 64.86 65.87 2ksi h ILE 99 Cb 0.52 1.66 0.00 0.00 -0.27 0.00 0.00 36.82 38.73 2ksi h ILE 99 CO -0.56 0.05 -0.15 0.15 -1.05 0.00 0.00 178.15 176.59 2ksi h PHE 100 N 0.00 0.00 0.00 0.16 3.57 0.33 -3.16 116.94 117.85 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 0.66 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 2ksi h PHE 100 CO 0.00 0.00 -0.88 -0.07 -2.23 0.00 0.00 178.31 175.13 2ksi h LEU 101 N 0.00 0.24 -0.15 0.59 3.38 0.20 -3.10 115.31 116.48 2ksi h LEU 101 Ca 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2ksi h LEU 101 Cb 0.94 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2ksi h LEU 101 CO 0.00 1.00 -0.26 0.18 0.09 0.00 0.00 178.44 179.45 2ksi n LEU 102 N -3.65 0.48 0.07 1.67 4.32 -1.23 -4.03 117.00 114.64 2ksi n LEU 102 Ca -0.03 0.05 -0.13 0.00 -0.02 0.00 0.00 56.01 55.88 2ksi n LEU 102 Cb 0.81 -0.26 -0.08 0.00 -1.62 0.00 0.00 43.42 42.27 2ksi n LEU 102 CO 0.48 0.10 0.74 -0.33 -1.22 0.00 0.00 177.39 177.16 2ksi h GLU 103 N 0.36 -0.13 0.00 3.23 5.08 -1.50 -1.24 114.58 120.37 2ksi h GLU 103 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2ksi h GLU 103 Cb 0.46 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2ksi h GLU 103 CO 0.00 0.07 0.00 -0.35 -1.00 0.00 0.00 179.01 177.73 2ksi n PRO 104 N -5.06 0.07 -0.01 2.33 -0.04 -1.26 -2.06 135.00 128.97 2ksi n PRO 104 Ca -0.08 0.22 0.10 0.00 -0.04 0.00 0.00 63.50 63.70 2ksi n PRO 104 Cb 0.15 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.97 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 -1.43 0.00 -0.25 0.54 3.01 -0.99 -4.39 117.46 113.94 2ksi n PHE 105 Ca 0.05 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.48 2ksi n PHE 105 Cb 0.15 -0.27 0.03 0.00 -0.01 0.00 0.00 39.48 39.38 2ksi n PHE 105 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 2ksi h ILE 106 N 0.00 0.15 -0.07 4.37 1.08 -0.65 0.57 117.51 122.96 2ksi h ILE 106 Ca 0.00 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.43 2ksi h ILE 106 Cb 0.74 0.15 -0.00 0.00 -3.07 0.00 0.00 36.82 34.64 2ksi h ILE 106 CO 0.00 0.00 -0.11 0.00 -0.69 0.00 0.00 178.15 177.35 2ksi h ALA 107 N 1.23 0.11 -0.76 1.87 0.00 -1.79 -3.23 119.26 116.69 2ksi h ALA 107 Ca 0.28 -0.32 0.14 0.00 0.00 0.00 0.00 54.91 55.01 2ksi h ALA 107 Cb 0.56 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.24 2ksi h ALA 107 CO -0.77 -0.03 0.30 1.03 0.00 0.00 0.00 179.25 179.79 2ksi h SER 108 N -0.27 0.29 0.00 0.00 0.87 -1.49 -3.43 113.55 109.51 2ksi h SER 108 Ca 0.01 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 2ksi h SER 108 Cb 0.67 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 2ksi h SER 108 CO 0.03 0.11 0.00 0.18 -0.53 0.00 0.00 176.83 176.61 2ksi n LEU 109 N -5.00 0.00 0.00 2.23 4.77 0.19 -5.01 117.00 114.18 2ksi n LEU 109 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 2ksi n LEU 109 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2ksi n LEU 109 CO 0.18 0.00 0.14 2.29 -1.33 0.00 0.00 177.39 178.68