#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 6.50 1.08 6.12 1.04 -1.26 -5.07 113.70 122.12 2ksi s SER 2 Ca 0.00 0.60 -0.16 0.00 0.48 0.00 0.00 55.95 56.87 2ksi s SER 2 Cb 0.00 -2.28 0.23 0.00 0.10 0.00 0.00 66.02 64.07 2ksi s SER 2 CO 0.00 -0.20 1.12 -0.76 0.98 0.00 0.00 173.24 174.38 2ksi s LEU 3 N 1.80 1.31 0.01 2.42 1.43 -1.26 -4.96 118.68 119.43 2ksi s LEU 3 Ca 0.22 0.83 -0.26 0.00 -1.03 0.00 0.00 54.13 53.90 2ksi s LEU 3 Cb -0.15 -2.81 -0.14 0.00 0.03 0.00 0.00 46.19 43.11 2ksi s LEU 3 CO 0.09 -3.49 1.08 0.11 0.23 0.00 0.00 176.35 174.37 2ksi h LYS 4 N -2.15 -0.85 -1.46 1.70 1.57 -1.97 -3.02 116.57 110.39 2ksi h LYS 4 Ca -0.49 0.06 0.43 0.00 -1.87 0.00 0.00 60.65 58.78 2ksi h LYS 4 Cb 1.31 0.19 -0.08 0.00 0.08 0.00 0.00 32.23 33.73 2ksi h LYS 4 CO 0.46 -0.55 1.03 0.66 -0.57 0.00 0.00 179.45 180.48 2ksi h SER 5 N -1.20 0.09 -0.27 0.86 4.64 -1.93 0.25 113.55 115.99 2ksi h SER 5 Ca -0.09 0.04 0.06 0.00 -0.47 0.00 0.00 61.79 61.32 2ksi h SER 5 Cb 0.69 0.03 -0.06 0.00 -0.31 0.00 0.00 62.40 62.75 2ksi h SER 5 CO 0.15 -0.03 -0.10 -0.78 -0.87 0.00 0.00 176.83 175.20 2ksi h ASP 6 N 0.05 -0.34 -0.97 4.97 3.58 -1.90 -1.16 116.42 120.65 2ksi h ASP 6 Ca 0.74 0.09 0.18 0.00 0.42 0.00 0.00 57.03 58.47 2ksi h ASP 6 Cb 2.76 0.20 -0.09 0.00 1.72 0.00 0.00 39.33 43.92 2ksi h ASP 6 CO -0.12 -0.13 0.61 -0.08 -2.88 0.00 0.00 179.24 176.65 2ksi h GLU 7 N -0.05 0.67 0.20 0.28 4.81 -0.59 -2.29 114.58 117.62 2ksi h GLU 7 Ca 0.14 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 2ksi h GLU 7 Cb 0.25 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 2ksi h GLU 7 CO -0.30 0.44 -0.52 0.28 -0.73 0.00 0.00 179.01 178.19 2ksi h VAL 8 N 0.69 0.00 -0.89 0.32 2.07 -1.25 -1.28 116.25 115.92 2ksi h VAL 8 Ca 0.53 0.00 0.22 0.00 0.82 0.00 0.00 66.70 68.27 2ksi h VAL 8 Cb 0.92 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.56 2ksi h VAL 8 CO -0.30 0.00 0.36 -0.26 0.02 0.00 0.00 177.57 177.39 2ksi h PHE 9 N -0.80 0.60 -0.91 1.57 0.04 -1.36 0.36 116.94 116.44 2ksi h PHE 9 Ca -0.02 0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.80 2ksi h PHE 9 Cb 0.77 -0.12 -0.04 0.00 2.20 0.00 0.00 35.95 38.75 2ksi h PHE 9 CO -0.41 -0.08 0.59 0.00 -0.60 0.00 0.00 178.31 177.81 2ksi h ALA 10 N 1.72 1.33 0.23 2.45 0.00 -1.19 -0.78 119.26 123.01 2ksi h ALA 10 Ca 0.56 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.38 2ksi h ALA 10 Cb 1.07 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2ksi h ALA 10 CO -0.55 0.61 -0.11 0.87 0.00 0.00 0.00 179.25 180.08 2ksi h LYS 11 N 1.24 -0.29 -0.95 0.00 1.79 0.75 0.39 116.57 119.49 2ksi h LYS 11 Ca 0.33 0.02 0.11 0.00 -2.18 0.00 0.00 60.65 58.93 2ksi h LYS 11 Cb -0.12 0.07 -0.07 0.00 -1.58 0.00 0.00 32.23 30.52 2ksi h LYS 11 CO -0.07 0.05 0.61 0.82 -1.08 0.00 0.00 179.45 179.78 2ksi h ILE 12 N -0.69 0.94 0.11 1.86 2.04 -1.05 -1.09 117.51 119.64 2ksi h ILE 12 Ca -0.03 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 2ksi h ILE 12 Cb 0.48 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 2ksi h ILE 12 CO 0.05 0.17 -0.05 0.00 0.00 0.00 0.00 178.15 178.32 2ksi h ALA 13 N 1.54 -0.15 -0.71 1.87 0.00 -1.10 -3.02 119.26 117.69 2ksi h ALA 13 Ca 0.46 -0.24 0.20 0.00 0.00 0.00 0.00 54.91 55.33 2ksi h ALA 13 Cb 0.46 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2ksi h ALA 13 CO -0.22 -0.31 0.51 -0.22 0.00 0.00 0.00 179.25 179.01 2ksi h LYS 14 N -0.70 0.04 -0.09 0.00 3.64 -0.54 0.26 116.57 119.18 2ksi h LYS 14 Ca -0.02 -0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.22 2ksi h LYS 14 Cb 0.53 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 2ksi h LYS 14 CO 0.03 0.02 -0.57 -0.09 -2.27 0.00 0.00 179.45 176.57 2ksi h ARG 15 N 0.04 0.27 0.00 1.90 1.12 -1.16 -2.87 114.38 113.68 2ksi h ARG 15 Ca 0.34 -0.18 -0.02 0.00 -1.11 0.00 0.00 59.98 59.01 2ksi h ARG 15 Cb 1.31 0.02 -0.00 0.00 -0.01 0.00 0.00 29.97 31.29 2ksi h ARG 15 CO -0.02 0.77 -0.10 -0.07 -3.11 0.00 0.00 179.97 177.44 2ksi h LEU 16 N 0.21 0.00 -2.13 3.80 3.38 -0.35 -2.42 115.31 117.80 2ksi h LEU 16 Ca -0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2ksi h LEU 16 Cb 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 2ksi h LEU 16 CO 0.09 0.10 0.30 -0.33 0.09 0.00 0.00 178.44 178.69 2ksi h GLU 17 N 0.00 0.00 0.00 1.13 5.08 -1.38 0.33 114.58 119.74 2ksi h GLU 17 Ca -0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 2ksi h GLU 17 Cb 0.34 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 2ksi h GLU 17 CO 0.01 0.00 -1.36 0.77 -1.00 0.00 0.00 179.01 177.43 2ksi h SER 18 N 0.00 0.00 -0.67 1.42 0.02 -1.63 -3.46 113.55 109.23 2ksi h SER 18 Ca 0.05 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.42 2ksi h SER 18 Cb 0.66 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.16 2ksi h SER 18 CO -0.00 0.73 1.57 -0.38 -1.14 0.00 0.00 176.83 177.61 2ksi n ILE 19 N -3.01 0.04 -4.22 3.27 5.41 0.11 -4.91 119.36 116.05 2ksi n ILE 19 Ca -0.10 -0.25 -0.33 0.00 1.00 0.00 0.00 62.75 63.08 2ksi n ILE 19 Cb 0.90 -1.33 -0.08 0.00 -0.71 0.00 0.00 39.64 38.41 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 8.73 5.36 0.02 4.38 1.11 -1.26 -5.00 116.67 130.01 2ksi s ASP 20 Ca 1.18 0.07 0.15 0.00 0.18 0.00 0.00 52.55 54.13 2ksi s ASP 20 Cb -0.94 -1.47 0.63 0.00 1.07 0.00 0.00 42.92 42.21 2ksi s ASP 20 CO 0.47 0.29 1.47 -0.81 1.18 0.00 0.00 175.17 177.77 2ksi n PRO 21 N 1.41 0.01 0.01 8.23 -0.04 -1.26 -2.37 135.00 141.00 2ksi n PRO 21 Ca -0.15 0.27 0.10 0.00 -0.04 0.00 0.00 63.50 63.69 2ksi n PRO 21 Cb 0.53 -1.53 0.46 0.00 -0.04 0.00 0.00 33.50 32.92 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 -1.52 1.98 -3.15 0.55 0.00 -1.26 -4.61 120.51 112.50 2ksi n ALA 22 Ca 0.03 -0.06 0.05 0.00 0.00 0.00 0.00 53.44 53.46 2ksi n ALA 22 Cb 0.17 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.26 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 -3.13 -0.44 0.50 0.00 3.04 -1.00 -5.18 114.94 108.73 2ksi s ASN 23 Ca 0.10 0.13 0.03 0.00 0.04 0.00 0.00 52.86 53.16 2ksi s ASN 23 Cb 0.14 1.31 -0.02 0.00 -1.54 0.00 0.00 41.25 41.14 2ksi s ASN 23 CO 0.40 -0.08 0.06 -0.13 -3.04 0.00 0.00 177.10 174.31 2ksi s ARG 24 N 2.95 2.18 -0.09 0.43 1.81 -1.26 -4.51 118.95 120.46 2ksi s ARG 24 Ca 0.16 -2.29 -0.01 0.00 -1.72 0.00 0.00 55.73 51.87 2ksi s ARG 24 Cb -0.05 -1.64 -0.05 0.00 -0.45 0.00 0.00 34.95 32.76 2ksi s ARG 24 CO -0.18 -0.34 -0.09 0.94 -0.68 0.00 0.00 175.30 174.94 2ksi n GLN 25 N -1.29 0.22 -3.64 3.54 -0.06 -1.26 -5.09 117.38 109.80 2ksi n GLN 25 Ca -0.14 0.06 -0.06 0.00 -2.00 0.00 0.00 57.00 54.86 2ksi n GLN 25 Cb 0.67 -1.09 -0.07 0.00 -4.06 0.00 0.00 30.24 25.69 2ksi n GLN 25 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 2ksi s VAL 26 N -2.18 0.00 -0.16 1.69 0.11 -1.26 -5.16 120.40 113.44 2ksi s VAL 26 Ca -0.13 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.93 2ksi s VAL 26 Cb 0.04 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.89 2ksi s VAL 26 CO 0.20 0.00 -0.16 -1.61 -3.33 0.00 0.00 175.10 170.20 2ksi s GLU 27 N -0.12 3.17 0.11 1.54 0.41 -1.26 -5.09 118.70 117.46 2ksi s GLU 27 Ca 0.05 -0.77 -0.24 0.00 -0.41 0.00 0.00 54.97 53.60 2ksi s GLU 27 Cb -0.04 -2.63 0.08 0.00 -1.78 0.00 0.00 34.13 29.77 2ksi s GLU 27 CO -0.10 -0.04 1.13 -1.01 -0.49 0.00 0.00 175.26 174.75 2ksi s HIS 28 N 0.95 0.06 -0.01 1.61 3.76 -1.26 -5.12 115.29 115.28 2ksi s HIS 28 Ca -0.03 -0.36 -0.15 0.00 -0.15 0.00 0.00 55.06 54.37 2ksi s HIS 28 Cb -0.15 0.65 -0.06 0.00 1.11 0.00 0.00 32.58 34.14 2ksi s HIS 28 CO -0.03 -0.69 0.42 0.08 -0.85 0.00 0.00 174.74 173.67 2ksi s VAL 29 N -2.09 5.03 -0.03 -0.90 1.01 -1.26 -4.45 120.40 117.71 2ksi s VAL 29 Ca 0.25 0.86 0.04 0.00 0.00 0.00 0.00 61.98 63.13 2ksi s VAL 29 Cb -0.02 -3.73 -0.00 0.00 0.00 0.00 0.00 36.38 32.63 2ksi s VAL 29 CO 0.03 0.56 -0.14 -0.47 0.00 0.00 0.00 175.10 175.08 2ksi s TYR 30 N -0.95 1.42 0.00 5.22 6.14 -1.24 -3.04 117.35 124.90 2ksi s TYR 30 Ca 0.24 -0.37 0.07 0.00 0.64 0.00 0.00 57.07 57.65 2ksi s TYR 30 Cb -0.17 -0.96 -0.03 0.00 0.42 0.00 0.00 41.96 41.23 2ksi s TYR 30 CO 0.13 -0.12 -0.20 0.21 0.64 0.00 0.00 175.55 176.21 2ksi s LYS 31 N 0.02 2.15 0.16 4.97 2.20 -0.58 -0.00 119.74 128.66 2ksi s LYS 31 Ca -0.02 -0.92 0.11 0.00 -0.36 0.00 0.00 55.97 54.78 2ksi s LYS 31 Cb -0.10 -2.17 -0.04 0.00 -1.51 0.00 0.00 37.83 34.01 2ksi s LYS 31 CO 0.01 0.56 -0.24 0.12 -0.36 0.00 0.00 175.35 175.44 2ksi s PHE 32 N -0.78 2.20 -0.09 4.03 2.19 0.13 -2.31 117.98 123.34 2ksi s PHE 32 Ca 0.12 -0.38 0.02 0.00 0.33 0.00 0.00 56.93 57.02 2ksi s PHE 32 Cb -0.10 -1.14 0.01 0.00 -1.31 0.00 0.00 43.02 40.49 2ksi s PHE 32 CO 0.02 0.40 -0.15 0.50 1.83 0.00 0.00 175.22 177.83 2ksi s ARG 33 N -2.41 2.09 -0.57 10.12 3.52 0.51 0.17 118.95 132.38 2ksi s ARG 33 Ca 0.17 -0.53 0.00 0.00 -0.13 0.00 0.00 55.73 55.24 2ksi s ARG 33 Cb -0.09 -1.75 0.15 0.00 -1.56 0.00 0.00 34.95 31.70 2ksi s ARG 33 CO 0.08 -0.02 0.35 0.42 -0.81 0.00 0.00 175.30 175.31 2ksi s ILE 34 N 0.86 3.19 0.45 4.11 -1.09 -0.78 -2.15 121.20 125.78 2ksi s ILE 34 Ca -0.10 -3.09 0.07 0.00 -2.23 0.00 0.00 60.65 55.31 2ksi s ILE 34 Cb -0.15 -3.13 0.02 0.00 -1.58 0.00 0.00 42.46 37.61 2ksi s ILE 34 CO 0.01 -0.83 0.61 0.42 -1.23 0.00 0.00 174.94 173.92 2ksi s THR 35 N -0.12 2.88 -0.31 2.92 -4.23 -0.95 -2.69 115.64 113.14 2ksi s THR 35 Ca 0.17 -0.97 -0.03 0.00 -1.18 0.00 0.00 61.69 59.68 2ksi s THR 35 Cb -0.23 -2.91 0.11 0.00 1.34 0.00 0.00 72.50 70.81 2ksi s THR 35 CO -0.02 0.00 0.14 0.00 -0.54 0.00 0.00 174.62 174.20 2ksi s GLN 36 N -4.43 0.35 0.00 3.99 -2.07 -0.81 -0.73 119.66 115.96 2ksi s GLN 36 Ca 0.56 -0.77 0.00 0.00 -1.82 0.00 0.00 55.36 53.33 2ksi s GLN 36 Cb -0.10 -1.32 0.00 0.00 -1.09 0.00 0.00 33.01 30.50 2ksi s GLN 36 CO 0.34 -1.05 0.00 0.41 -1.32 0.00 0.00 175.29 173.67 2ksi n GLY 37 N 4.96 2.67 0.00 2.60 0.00 -1.26 -4.18 105.19 109.98 2ksi n GLY 37 Ca -0.02 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 0.02 3.82 -0.02 0.00 -1.26 -5.13 105.19 102.62 2ksi n GLY 38 Ca 0.00 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.46 3.25 0.55 1.61 2.20 -1.26 -5.04 119.74 120.58 2ksi s LYS 39 Ca 0.00 -0.30 -0.19 0.00 -0.36 0.00 0.00 55.97 55.12 2ksi s LYS 39 Cb 0.00 -3.01 -0.06 0.00 -1.51 0.00 0.00 37.83 33.25 2ksi s LYS 39 CO 0.00 0.72 1.09 0.54 -0.36 0.00 0.00 175.35 177.34 2ksi s VAL 40 N -1.08 3.41 0.00 4.02 0.11 -1.26 -1.92 120.40 123.68 2ksi s VAL 40 Ca 0.18 0.82 0.00 0.00 -2.93 0.00 0.00 61.98 60.06 2ksi s VAL 40 Cb -0.12 -3.32 0.00 0.00 -1.53 0.00 0.00 36.38 31.41 2ksi s VAL 40 CO 0.08 -0.24 0.00 1.33 -3.33 0.00 0.00 175.10 172.94 2ksi n VAL 41 N -1.43 0.00 -3.63 2.04 0.24 -1.10 -4.88 118.33 109.57 2ksi n VAL 41 Ca 0.11 -0.09 -0.07 0.00 -2.04 0.00 0.00 64.34 62.24 2ksi n VAL 41 Cb 0.52 0.53 -0.06 0.00 -1.47 0.00 0.00 33.84 33.36 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 -1.36 0.36 0.19 7.34 2.47 -1.21 -5.08 119.74 122.44 2ksi s LYS 42 Ca 0.00 0.28 0.05 0.00 -1.56 0.00 0.00 55.97 54.73 2ksi s LYS 42 Cb 0.00 0.17 -0.04 0.00 -1.46 0.00 0.00 37.83 36.51 2ksi s LYS 42 CO 0.00 -0.07 0.23 -0.80 0.16 0.00 0.00 175.35 174.86 2ksi s ASN 43 N -0.33 5.91 0.18 1.43 -0.87 -1.26 -1.87 114.94 118.12 2ksi s ASN 43 Ca 0.04 -0.02 0.06 0.00 -1.57 0.00 0.00 52.86 51.37 2ksi s ASN 43 Cb -0.03 -1.65 -0.05 0.00 -0.02 0.00 0.00 41.25 39.50 2ksi s ASN 43 CO -0.07 0.02 -0.12 0.26 -2.57 0.00 0.00 177.10 174.62 2ksi s TRP 44 N -1.85 1.52 0.01 2.20 0.51 0.13 -2.60 118.94 118.86 2ksi s TRP 44 Ca 0.33 -0.66 0.03 0.00 -2.12 0.00 0.00 56.10 53.68 2ksi s TRP 44 Cb -0.10 -0.73 -0.01 0.00 -0.81 0.00 0.00 33.47 31.82 2ksi s TRP 44 CO 0.26 0.23 -0.10 0.08 -0.51 0.00 0.00 176.95 176.92 2ksi s VAL 45 N -3.13 0.77 -0.40 4.03 1.01 0.11 0.20 120.40 122.98 2ksi s VAL 45 Ca 0.20 -0.64 -0.07 0.00 0.00 0.00 0.00 61.98 61.47 2ksi s VAL 45 Cb 0.01 -0.69 0.08 0.00 0.00 0.00 0.00 36.38 35.78 2ksi s VAL 45 CO 0.04 0.05 0.21 -0.32 0.00 0.00 0.00 175.10 175.08 2ksi s MET 46 N -0.67 2.43 -1.16 2.72 1.75 0.99 -1.60 119.30 123.77 2ksi s MET 46 Ca 0.01 -1.52 -0.20 0.00 -1.25 0.00 0.00 55.69 52.73 2ksi s MET 46 Cb -0.06 -3.65 0.07 0.00 2.84 0.00 0.00 34.83 34.03 2ksi s MET 46 CO 0.00 -0.94 1.57 0.34 -0.65 0.00 0.00 175.02 175.35 2ksi s ASP 47 N 1.94 6.70 0.26 1.11 -1.08 0.76 -3.62 116.67 122.75 2ksi s ASP 47 Ca 0.03 -2.05 0.26 0.00 -0.52 0.00 0.00 52.55 50.26 2ksi s ASP 47 Cb -0.23 -2.56 0.77 0.00 -1.46 0.00 0.00 42.92 39.45 2ksi s ASP 47 CO 0.00 -1.28 1.75 -0.07 0.52 0.00 0.00 175.17 176.09 2ksi h LEU 48 N 12.39 0.00 0.02 -1.34 3.38 -1.78 0.29 115.31 128.26 2ksi h LEU 48 Ca 0.33 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.19 2ksi h LEU 48 Cb 0.94 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.69 2ksi h LEU 48 CO 1.42 0.00 -0.43 0.50 0.09 0.00 0.00 178.44 180.02 2ksi h LYS 49 N 0.00 0.26 -0.01 1.13 3.64 -1.85 -3.29 116.57 116.45 2ksi h LYS 49 Ca 0.00 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 2ksi h LYS 49 Cb 0.73 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 2ksi h LYS 49 CO 0.00 1.03 -0.29 0.09 -2.27 0.00 0.00 179.45 178.01 2ksi n ASN 50 N -4.36 1.46 -2.48 4.20 5.03 -1.23 -4.96 115.26 112.92 2ksi n ASN 50 Ca -0.10 -1.19 -0.11 0.00 0.87 0.00 0.00 54.58 54.05 2ksi n ASN 50 Cb 0.60 0.22 0.05 0.00 -1.02 0.00 0.00 39.78 39.64 2ksi n ASN 50 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 2ksi n VAL 51 N -0.29 -3.37 -3.92 2.41 0.31 -0.38 -5.04 118.33 108.04 2ksi n VAL 51 Ca 0.12 -0.25 -0.09 0.00 -0.01 0.00 0.00 64.34 64.10 2ksi n VAL 51 Cb 0.40 -3.86 -0.07 0.00 -0.91 0.00 0.00 33.84 29.40 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 -5.00 1.14 -0.09 5.55 2.47 0.88 -4.72 119.74 119.97 2ksi s LYS 52 Ca 0.06 -1.11 0.04 0.00 -1.56 0.00 0.00 55.97 53.41 2ksi s LYS 52 Cb -0.03 0.39 -0.00 0.00 -1.46 0.00 0.00 37.83 36.73 2ksi s LYS 52 CO 0.45 -0.42 -0.23 -0.51 0.16 0.00 0.00 175.35 174.80 2ksi s LEU 53 N -2.94 2.04 0.27 5.43 1.02 -1.26 -0.17 118.68 123.07 2ksi s LEU 53 Ca 0.15 -0.52 0.02 0.00 0.02 0.00 0.00 54.13 53.79 2ksi s LEU 53 Cb 0.03 -1.33 -0.05 0.00 0.02 0.00 0.00 46.19 44.86 2ksi s LEU 53 CO -0.02 0.16 0.12 0.68 0.02 0.00 0.00 176.35 177.31 2ksi s VAL 54 N 0.30 0.44 -0.30 -1.59 -7.23 -0.63 -4.95 120.40 106.43 2ksi s VAL 54 Ca -0.16 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 57.94 2ksi s VAL 54 Cb -0.17 -2.58 0.01 0.00 0.56 0.00 0.00 36.38 34.20 2ksi s VAL 54 CO 0.08 0.00 0.09 -1.83 -0.31 0.00 0.00 175.10 173.13 2ksi s GLU 55 N -3.96 3.05 0.09 4.82 1.03 -1.26 0.08 118.70 122.54 2ksi s GLU 55 Ca 0.37 -0.89 -0.27 0.00 0.03 0.00 0.00 54.97 54.22 2ksi s GLU 55 Cb 0.07 -3.41 0.08 0.00 -0.80 0.00 0.00 34.13 30.07 2ksi s GLU 55 CO 0.15 -0.47 0.97 -1.12 -1.33 0.00 0.00 175.26 173.46 2ksi s SER 56 N 1.50 -0.22 -0.17 0.83 0.01 -1.07 -4.80 113.70 109.78 2ksi s SER 56 Ca 0.02 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.02 2ksi s SER 56 Cb -0.17 0.43 0.03 0.00 0.21 0.00 0.00 66.02 66.51 2ksi s SER 56 CO 0.03 -0.76 -0.11 1.51 0.41 0.00 0.00 173.24 174.31 2ksi s ASP 57 N -2.80 2.96 0.18 2.44 -4.77 -1.26 -2.76 116.67 110.65 2ksi s ASP 57 Ca 0.10 -0.66 -0.15 0.00 -3.30 0.00 0.00 52.55 48.55 2ksi s ASP 57 Cb -0.01 -1.16 0.02 0.00 -1.09 0.00 0.00 42.92 40.68 2ksi s ASP 57 CO -0.02 -0.11 0.44 -1.81 0.70 0.00 0.00 175.17 174.38 2ksi s ASP 58 N 1.48 -0.17 -0.79 2.11 1.01 -1.26 -5.08 116.67 113.97 2ksi s ASP 58 Ca 0.02 -0.57 -0.26 0.00 0.71 0.00 0.00 52.55 52.45 2ksi s ASP 58 Cb -0.14 0.52 -0.10 0.00 1.01 0.00 0.00 42.92 44.21 2ksi s ASP 58 CO -0.09 -0.98 2.25 0.00 0.21 0.00 0.00 175.17 176.55 2ksi s ALA 59 N -3.89 1.12 0.16 5.23 0.00 -1.26 -4.92 121.76 118.20 2ksi s ALA 59 Ca 0.11 -0.93 -0.06 0.00 0.00 0.00 0.00 51.96 51.08 2ksi s ALA 59 Cb 0.01 -4.54 -0.06 0.00 0.00 0.00 0.00 23.12 18.53 2ksi s ALA 59 CO -0.03 -5.38 0.41 0.00 0.00 0.00 0.00 175.76 170.76 2ksi s ALA 60 N 12.96 3.74 0.44 0.00 0.00 -1.26 -4.98 121.76 132.66 2ksi s ALA 60 Ca 0.85 -0.50 0.35 0.00 0.00 0.00 0.00 51.96 52.66 2ksi s ALA 60 Cb -0.11 -2.19 1.80 0.00 0.00 0.00 0.00 23.12 22.61 2ksi s ALA 60 CO 0.08 0.64 2.17 1.49 0.00 0.00 0.00 175.76 180.13 2ksi h GLU 61 N 2.76 0.00 -3.52 0.00 4.22 -1.90 -3.41 114.58 112.74 2ksi h GLU 61 Ca -0.46 0.00 -0.37 0.00 0.08 0.00 0.00 59.36 58.61 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 -0.75 0.00 -2.18 0.00 0.00 179.01 176.85 2ksi s ALA 62 N -4.09 0.32 -0.20 2.92 0.00 -1.24 -4.57 121.76 114.89 2ksi s ALA 62 Ca -0.03 0.14 -0.04 0.00 0.00 0.00 0.00 51.96 52.04 2ksi s ALA 62 Cb 0.12 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 2ksi s ALA 62 CO 0.51 -0.32 -0.03 0.99 0.00 0.00 0.00 175.76 176.91 2ksi s THR 63 N 1.67 3.59 -0.17 0.00 2.01 0.14 -1.53 115.64 121.36 2ksi s THR 63 Ca -0.01 -0.43 0.00 0.00 0.31 0.00 0.00 61.69 61.56 2ksi s THR 63 Cb -0.13 -2.62 0.01 0.00 0.01 0.00 0.00 72.50 69.78 2ksi s THR 63 CO -0.03 0.44 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.41 2ksi s LEU 64 N 1.12 2.33 -0.20 4.42 1.02 -0.98 -0.35 118.68 126.04 2ksi s LEU 64 Ca 0.02 -0.56 -0.06 0.00 0.02 0.00 0.00 54.13 53.55 2ksi s LEU 64 Cb -0.15 -1.53 -0.03 0.00 0.02 0.00 0.00 46.19 44.50 2ksi s LEU 64 CO 0.00 0.03 0.04 -0.89 0.02 0.00 0.00 176.35 175.55 2ksi s THR 65 N 1.13 4.35 -0.13 5.49 2.01 -1.21 -0.36 115.64 126.92 2ksi s THR 65 Ca 0.01 -0.18 -0.21 0.00 0.31 0.00 0.00 61.69 61.61 2ksi s THR 65 Cb -0.14 -2.97 0.05 0.00 0.01 0.00 0.00 72.50 69.45 2ksi s THR 65 CO -0.07 0.42 0.54 -0.04 -0.69 0.00 0.00 174.62 174.79 2ksi s MET 66 N 0.84 0.76 0.65 4.92 -1.94 -0.92 -4.15 119.30 119.46 2ksi s MET 66 Ca 0.02 0.43 -0.11 0.00 -1.71 0.00 0.00 55.69 54.33 2ksi s MET 66 Cb -0.14 0.36 -0.02 0.00 2.01 0.00 0.00 34.83 37.04 2ksi s MET 66 CO 0.02 -0.17 1.04 -1.21 -0.01 0.00 0.00 175.02 174.70 2ksi s GLU 67 N -0.44 3.38 0.13 2.03 2.02 -1.26 -2.23 118.70 122.32 2ksi s GLU 67 Ca -0.06 0.77 -0.32 0.00 0.02 0.00 0.00 54.97 55.38 2ksi s GLU 67 Cb -0.03 -2.05 -0.09 0.00 0.10 0.00 0.00 34.13 32.05 2ksi s GLU 67 CO 0.04 -0.73 1.56 0.22 0.02 0.00 0.00 175.26 176.37 2ksi h ASP 68 N -0.44 -1.61 -0.96 -0.19 3.58 -1.25 0.18 116.42 115.73 2ksi h ASP 68 Ca -0.44 0.20 0.24 0.00 0.42 0.00 0.00 57.03 57.45 2ksi h ASP 68 Cb 1.20 0.65 -0.07 0.00 1.72 0.00 0.00 39.33 42.83 2ksi h ASP 68 CO 0.61 -0.45 0.64 -2.24 -2.88 0.00 0.00 179.24 174.92 2ksi h ASP 69 N -0.52 0.34 -0.20 2.28 3.04 -1.94 0.56 116.42 119.98 2ksi h ASP 69 Ca 0.06 0.05 -0.15 0.00 -3.24 0.00 0.00 57.03 53.75 2ksi h ASP 69 Cb 0.65 -0.01 0.00 0.00 -1.04 0.00 0.00 39.33 38.93 2ksi h ASP 69 CO -0.46 0.11 -0.45 0.40 -2.04 0.00 0.00 179.24 176.80 2ksi h ILE 70 N 0.32 1.32 -0.59 4.15 1.08 -1.14 -2.67 117.51 119.97 2ksi h ILE 70 Ca 0.51 -1.68 0.10 0.00 -0.39 0.00 0.00 64.86 63.40 2ksi h ILE 70 Cb 1.41 1.86 -0.08 0.00 -3.07 0.00 0.00 36.82 36.94 2ksi h ILE 70 CO -0.18 0.52 0.16 -0.03 -0.69 0.00 0.00 178.15 177.94 2ksi h MET 71 N 0.36 0.30 -0.02 2.37 4.05 0.15 0.49 114.93 122.64 2ksi h MET 71 Ca 0.00 -0.02 -0.10 0.00 -0.28 0.00 0.00 59.70 59.31 2ksi h MET 71 Cb 1.06 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.77 2ksi h MET 71 CO 0.10 0.20 -0.45 0.35 0.23 0.00 0.00 176.91 177.34 2ksi h PHE 72 N 0.31 0.05 0.29 1.39 3.57 -1.49 0.32 116.94 121.38 2ksi h PHE 72 Ca 0.31 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 2ksi h PHE 72 Cb 0.42 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.15 2ksi h PHE 72 CO -0.21 0.48 -0.14 0.00 -2.23 0.00 0.00 178.31 176.21 2ksi h ALA 73 N 1.51 -0.39 -0.15 2.41 0.00 -0.64 -3.01 119.26 119.01 2ksi h ALA 73 Ca -0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2ksi h ALA 73 Cb 0.81 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2ksi h ALA 73 CO 0.06 -0.36 -0.03 0.82 0.00 0.00 0.00 179.25 179.73 2ksi h ILE 74 N -1.09 1.29 -0.99 0.00 2.04 -0.19 0.34 117.51 118.91 2ksi h ILE 74 Ca -0.04 -0.98 0.22 0.00 1.00 0.00 0.00 64.86 65.06 2ksi h ILE 74 Cb 0.33 1.64 -0.09 0.00 -0.74 0.00 0.00 36.82 37.96 2ksi h ILE 74 CO 0.06 0.29 0.62 1.23 0.00 0.00 0.00 178.15 180.36 2ksi h GLY 75 N -0.02 1.38 0.95 5.37 0.00 -0.51 0.36 103.07 110.61 2ksi h GLY 75 Ca 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.10 2ksi h GLY 75 CO 0.01 -0.07 -0.56 -1.30 0.00 0.00 0.00 176.54 174.62 2ksi n THR 76 N -4.66 0.04 -2.34 4.70 -2.24 -1.14 -4.88 114.28 103.77 2ksi n THR 76 Ca 0.23 -0.04 -0.05 0.00 -2.27 0.00 0.00 64.05 61.92 2ksi n THR 76 Cb 0.70 0.24 0.01 0.00 -2.10 0.00 0.00 70.33 69.18 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 1.48 0.34 0.14 3.38 0.00 0.13 -4.78 105.19 105.88 2ksi n GLY 77 Ca 0.05 -0.60 -0.22 0.00 0.00 0.00 0.00 46.02 45.24 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 0.23 0.17 -3.69 4.61 0.00 -0.63 -3.46 119.26 116.50 2ksi h ALA 78 Ca -0.12 -1.15 -0.68 0.00 0.00 0.00 0.00 54.91 52.96 2ksi h ALA 78 Cb 1.08 0.46 -0.20 0.00 0.00 0.00 0.00 17.79 19.13 2ksi h ALA 78 CO 0.13 1.04 -0.83 -0.51 0.00 0.00 0.00 179.25 179.09 2ksi s LEU 79 N -7.27 2.52 -0.04 0.00 1.43 -1.22 -5.03 118.68 109.07 2ksi s LEU 79 Ca -0.16 -0.68 -0.30 0.00 -1.03 0.00 0.00 54.13 51.96 2ksi s LEU 79 Cb 0.06 -1.37 -0.05 0.00 0.03 0.00 0.00 46.19 44.86 2ksi s LEU 79 CO 0.85 0.17 1.48 -2.16 0.23 0.00 0.00 176.35 176.92 2ksi s PRO 80 N -2.22 4.23 0.48 1.29 0.04 -1.26 -4.52 135.00 133.05 2ksi s PRO 80 Ca 0.17 2.02 0.21 0.00 0.04 0.00 0.00 61.00 63.44 2ksi s PRO 80 Cb -0.10 -3.74 1.20 0.00 0.04 0.00 0.00 34.50 31.90 2ksi s PRO 80 CO 0.09 -0.70 2.01 0.00 0.04 0.00 0.00 177.00 178.43 2ksi h ALA 81 N 8.49 1.41 0.17 8.56 0.00 -1.98 -1.75 119.26 134.17 2ksi h ALA 81 Ca -0.37 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 2ksi h ALA 81 Cb 1.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2ksi h ALA 81 CO 0.93 0.22 -0.08 -0.22 0.00 0.00 0.00 179.25 180.10 2ksi h LYS 82 N 0.00 -0.22 -0.57 0.00 3.64 -1.99 -2.93 116.57 114.50 2ksi h LYS 82 Ca -0.00 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2ksi h LYS 82 Cb 0.39 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 2ksi h LYS 82 CO 0.02 0.19 0.35 1.49 -2.27 0.00 0.00 179.45 179.24 2ksi h GLU 83 N -0.78 0.77 -0.40 1.90 4.57 -1.95 0.30 114.58 119.00 2ksi h GLU 83 Ca -0.02 -0.06 0.08 0.00 -1.18 0.00 0.00 59.36 58.18 2ksi h GLU 83 Cb 0.52 -0.16 -0.08 0.00 -0.16 0.00 0.00 28.75 28.86 2ksi h GLU 83 CO 0.04 0.54 -0.16 0.00 -1.18 0.00 0.00 179.01 178.25 2ksi h ALA 84 N 1.18 0.17 0.00 2.92 0.00 -1.39 -0.67 119.26 121.46 2ksi h ALA 84 Ca 0.21 0.15 -0.11 0.00 0.00 0.00 0.00 54.91 55.15 2ksi h ALA 84 Cb -0.04 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2ksi h ALA 84 CO -0.04 -0.52 -0.54 0.52 0.00 0.00 0.00 179.25 178.67 2ksi h MET 85 N -0.08 0.00 -0.12 0.00 2.86 -1.31 -3.16 114.93 113.13 2ksi h MET 85 Ca 0.19 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.83 2ksi h MET 85 Cb 0.37 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 2ksi h MET 85 CO -0.45 0.54 0.06 0.00 1.06 0.00 0.00 176.91 178.13 2ksi h ALA 86 N 1.46 1.89 -0.43 6.32 0.00 0.11 -1.16 119.26 127.45 2ksi h ALA 86 Ca -0.01 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 2ksi h ALA 86 Cb 1.26 -0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.88 2ksi h ALA 86 CO 0.07 0.10 0.26 1.04 0.00 0.00 0.00 179.25 180.71 2ksi n GLN 87 N -4.50 1.77 -2.28 0.00 6.02 -0.71 -4.84 117.38 112.84 2ksi n GLN 87 Ca -0.01 -1.40 -0.07 0.00 -0.01 0.00 0.00 57.00 55.51 2ksi n GLN 87 Cb 0.09 -1.59 -0.01 0.00 1.02 0.00 0.00 30.24 29.75 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 -0.17 -2.53 -0.61 1.08 9.92 -0.44 -4.75 116.55 119.05 2ksi n ASP 88 Ca 0.25 0.30 0.11 0.00 -0.53 0.00 0.00 54.79 54.92 2ksi n ASP 88 Cb 0.99 -2.27 0.36 0.00 -0.64 0.00 0.00 41.12 39.56 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 -2.50 1.80 -3.55 -1.24 5.02 -1.20 -4.88 118.16 111.62 2ksi n LYS 89 Ca -0.08 -1.20 -0.17 0.00 -2.02 0.00 0.00 58.31 54.84 2ksi n LYS 89 Cb 0.51 -1.40 -0.06 0.00 -0.02 0.00 0.00 35.03 34.06 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 -1.76 0.98 -0.27 1.97 -1.94 -1.26 -4.90 119.30 112.12 2ksi s MET 90 Ca 0.33 0.40 0.03 0.00 -1.71 0.00 0.00 55.69 54.73 2ksi s MET 90 Cb 0.18 0.47 0.07 0.00 2.01 0.00 0.00 34.83 37.55 2ksi s MET 90 CO 0.27 -0.27 -0.07 -1.21 -0.01 0.00 0.00 175.02 173.72 2ksi s GLU 91 N -0.87 1.97 -0.01 2.03 2.02 -1.26 -4.83 118.70 117.75 2ksi s GLU 91 Ca -0.08 -1.34 0.03 0.00 0.02 0.00 0.00 54.97 53.60 2ksi s GLU 91 Cb -0.01 -2.85 -0.03 0.00 0.10 0.00 0.00 34.13 31.33 2ksi s GLU 91 CO 0.08 -0.64 -0.09 0.08 0.02 0.00 0.00 175.26 174.71 2ksi s VAL 92 N 1.14 3.49 -0.17 2.63 1.01 -1.26 -3.31 120.40 123.94 2ksi s VAL 92 Ca -0.05 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 2ksi s VAL 92 Cb -0.20 -2.48 0.05 0.00 0.00 0.00 0.00 36.38 33.75 2ksi s VAL 92 CO -0.06 0.45 -0.01 -1.81 0.00 0.00 0.00 175.10 173.67 2ksi s ASP 93 N -1.23 2.82 0.00 3.32 1.01 0.52 -5.01 116.67 118.10 2ksi s ASP 93 Ca 0.15 -0.71 0.00 0.00 0.71 0.00 0.00 52.55 52.71 2ksi s ASP 93 Cb -0.11 -0.76 0.00 0.00 1.01 0.00 0.00 42.92 43.06 2ksi s ASP 93 CO 0.05 -0.24 0.00 0.61 0.21 0.00 0.00 175.17 175.81 2ksi n GLY 94 N 4.95 1.69 3.68 0.21 0.00 -1.26 0.26 105.19 114.72 2ksi n GLY 94 Ca -0.10 -0.95 -0.47 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.66 2.35 -0.29 1.61 -0.06 -1.26 -4.86 117.38 114.21 2ksi n GLN 95 Ca 0.00 0.86 -0.02 0.00 -2.00 0.00 0.00 57.00 55.84 2ksi n GLN 95 Cb 0.00 -2.73 0.04 0.00 -4.06 0.00 0.00 30.24 23.49 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 5.34 0.10 -0.23 1.69 2.07 -1.99 0.99 116.25 124.23 2ksi h VAL 96 Ca -0.48 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.07 2ksi h VAL 96 Cb 1.26 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 2ksi h VAL 96 CO 0.94 0.00 0.02 -0.33 0.02 0.00 0.00 177.57 178.22 2ksi h GLU 97 N -0.07 0.09 -0.41 1.57 4.39 -1.96 0.32 114.58 118.51 2ksi h GLU 97 Ca 0.30 -0.01 0.08 0.00 0.34 0.00 0.00 59.36 60.08 2ksi h GLU 97 Cb 0.58 -0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 29.12 2ksi h GLU 97 CO -0.83 0.06 -0.31 -0.07 -1.16 0.00 0.00 179.01 176.70 2ksi h LEU 98 N 0.09 -1.03 -1.06 1.33 3.38 -1.21 0.19 115.31 117.00 2ksi h LEU 98 Ca 0.11 0.19 -0.05 0.00 0.09 0.00 0.00 57.88 58.22 2ksi h LEU 98 Cb 0.12 0.49 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2ksi h LEU 98 CO -0.16 -0.31 -0.23 0.16 0.09 0.00 0.00 178.44 177.99 2ksi h ILE 99 N -0.23 0.54 0.00 1.22 3.07 -0.98 -2.60 117.51 118.54 2ksi h ILE 99 Ca 0.18 -1.14 0.00 0.00 1.55 0.00 0.00 64.86 65.45 2ksi h ILE 99 Cb 0.53 1.79 0.00 0.00 -0.27 0.00 0.00 36.82 38.86 2ksi h ILE 99 CO -0.54 0.22 0.00 0.49 -1.05 0.00 0.00 178.15 177.27 2ksi n PHE 100 N -3.37 0.53 0.09 0.16 3.01 0.11 -2.94 117.46 115.04 2ksi n PHE 100 Ca 0.00 0.18 -0.08 0.00 1.01 0.00 0.00 57.45 58.56 2ksi n PHE 100 Cb 0.44 -0.79 0.01 0.00 -0.01 0.00 0.00 39.48 39.13 2ksi n PHE 100 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 2ksi h LEU 101 N 0.00 0.22 -0.18 4.37 3.38 -0.58 -3.09 115.31 119.44 2ksi h LEU 101 Ca 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2ksi h LEU 101 Cb 0.49 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2ksi h LEU 101 CO 0.00 0.97 -0.31 0.18 0.09 0.00 0.00 178.44 179.36 2ksi n LEU 102 N -3.67 0.59 -0.01 1.67 4.32 -1.15 -4.05 117.00 114.70 2ksi n LEU 102 Ca -0.03 -0.02 -0.12 0.00 -0.02 0.00 0.00 56.01 55.82 2ksi n LEU 102 Cb 0.79 -0.23 -0.07 0.00 -1.62 0.00 0.00 43.42 42.29 2ksi n LEU 102 CO 0.47 0.12 0.78 -0.33 -1.22 0.00 0.00 177.39 177.21 2ksi h GLU 103 N 0.44 0.12 0.00 3.23 5.08 -1.52 -1.77 114.58 120.16 2ksi h GLU 103 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2ksi h GLU 103 Cb 0.48 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2ksi h GLU 103 CO 0.00 0.31 0.00 -0.35 -1.00 0.00 0.00 179.01 177.97 2ksi n PRO 104 N -4.90 0.10 -0.01 2.33 -0.04 -1.26 -2.09 135.00 129.14 2ksi n PRO 104 Ca -0.06 0.20 0.10 0.00 -0.04 0.00 0.00 63.50 63.70 2ksi n PRO 104 Cb 0.15 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 31.96 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 -1.40 0.00 0.06 0.54 3.01 -1.00 -4.26 117.46 114.41 2ksi n PHE 105 Ca 0.05 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.40 2ksi n PHE 105 Cb 0.14 -0.33 -0.04 0.00 -0.01 0.00 0.00 39.48 39.24 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 0.52 -0.53 4.37 2.04 -0.76 -1.57 117.51 121.57 2ksi h ILE 106 Ca 0.00 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.70 2ksi h ILE 106 Cb 0.80 0.52 -0.09 0.00 -0.74 0.00 0.00 36.82 37.30 2ksi h ILE 106 CO 0.00 0.00 0.20 0.00 0.00 0.00 0.00 178.15 178.35 2ksi n ALA 107 N -2.58 4.01 -0.11 1.87 0.00 -1.26 -3.81 120.51 118.63 2ksi n ALA 107 Ca -0.05 -1.65 -0.23 0.00 0.00 0.00 0.00 53.44 51.51 2ksi n ALA 107 Cb 0.25 -1.19 -0.08 0.00 0.00 0.00 0.00 19.45 18.43 2ksi n ALA 107 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ksi n SER 108 N -0.04 1.57 -4.52 0.00 2.88 -0.61 -4.83 113.62 108.07 2ksi n SER 108 Ca 0.29 0.27 -0.42 0.00 -1.33 0.00 0.00 58.87 57.69 2ksi n SER 108 Cb 1.10 -0.65 -0.03 0.00 -0.75 0.00 0.00 64.21 63.87 2ksi n SER 108 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 2ksi s LEU 109 N -7.23 3.83 0.00 2.46 0.05 -1.09 -5.11 118.68 111.60 2ksi s LEU 109 Ca -0.31 -1.29 0.00 0.00 0.05 0.00 0.00 54.13 52.58 2ksi s LEU 109 Cb 0.12 -2.52 0.00 0.00 -2.05 0.00 0.00 46.19 41.74 2ksi s LEU 109 CO 0.39 -1.49 0.25 1.17 -0.55 0.00 0.00 176.35 176.12