#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 1.81 0.95 3.17 0.01 -1.26 -5.14 113.70 113.23 2ksi s SER 2 Ca 0.00 -0.30 -0.12 0.00 1.31 0.00 0.00 55.95 56.85 2ksi s SER 2 Cb 0.00 -0.67 0.16 0.00 0.21 0.00 0.00 66.02 65.72 2ksi s SER 2 CO 0.00 0.08 1.09 -0.76 0.41 0.00 0.00 173.24 174.06 2ksi s LEU 3 N 0.37 2.08 -0.01 2.44 1.43 -1.26 -4.98 118.68 118.75 2ksi s LEU 3 Ca -0.09 1.58 -0.16 0.00 -1.03 0.00 0.00 54.13 54.42 2ksi s LEU 3 Cb -0.13 -3.90 -0.09 0.00 0.03 0.00 0.00 46.19 42.10 2ksi s LEU 3 CO 0.03 -2.97 0.80 0.11 0.23 0.00 0.00 176.35 174.55 2ksi h LYS 4 N -1.78 -0.57 -1.49 1.70 6.56 -2.00 -3.14 116.57 115.85 2ksi h LYS 4 Ca -0.51 0.04 0.43 0.00 -1.06 0.00 0.00 60.65 59.56 2ksi h LYS 4 Cb 1.29 0.13 -0.07 0.00 -0.57 0.00 0.00 32.23 33.01 2ksi h LYS 4 CO 0.52 -0.38 1.06 0.66 -2.06 0.00 0.00 179.45 179.25 2ksi h SER 5 N -0.93 0.05 -0.29 0.86 4.64 -1.94 0.24 113.55 116.17 2ksi h SER 5 Ca -0.06 0.02 0.06 0.00 -0.47 0.00 0.00 61.79 61.33 2ksi h SER 5 Cb 0.45 0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 62.50 2ksi h SER 5 CO 0.10 -0.01 -0.07 -0.78 -0.87 0.00 0.00 176.83 175.19 2ksi h ASP 6 N 0.03 -0.27 -0.98 4.97 3.58 -1.93 -1.26 116.42 120.56 2ksi h ASP 6 Ca 0.73 0.09 0.15 0.00 0.42 0.00 0.00 57.03 58.42 2ksi h ASP 6 Cb 2.83 0.18 -0.09 0.00 1.72 0.00 0.00 39.33 43.97 2ksi h ASP 6 CO -0.06 -0.10 0.61 -0.08 -2.88 0.00 0.00 179.24 176.74 2ksi h GLU 7 N 0.00 0.81 0.58 0.28 4.81 -0.59 -2.29 114.58 118.18 2ksi h GLU 7 Ca 0.14 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 2ksi h GLU 7 Cb 0.21 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 2ksi h GLU 7 CO -0.30 0.53 -0.41 0.28 -0.73 0.00 0.00 179.01 178.39 2ksi h VAL 8 N 0.83 0.18 -0.81 0.32 2.07 -1.28 -0.00 116.25 117.57 2ksi h VAL 8 Ca 0.52 0.00 0.18 0.00 0.82 0.00 0.00 66.70 68.22 2ksi h VAL 8 Cb 0.71 0.18 -0.12 0.00 -1.52 0.00 0.00 31.29 30.54 2ksi h VAL 8 CO -0.29 0.00 0.26 -0.26 0.02 0.00 0.00 177.57 177.31 2ksi h PHE 9 N -0.95 0.43 -0.06 1.57 0.04 -1.12 -0.67 116.94 116.18 2ksi h PHE 9 Ca -0.07 0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.74 2ksi h PHE 9 Cb 0.79 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.87 2ksi h PHE 9 CO -0.14 -0.07 0.02 0.00 -0.60 0.00 0.00 178.31 177.53 2ksi h ALA 10 N 1.65 0.07 -0.32 2.45 0.00 -1.13 -2.70 119.26 119.29 2ksi h ALA 10 Ca 0.47 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.37 2ksi h ALA 10 Cb 0.85 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.54 2ksi h ALA 10 CO -0.52 -0.34 -0.19 0.87 0.00 0.00 0.00 179.25 179.07 2ksi h LYS 11 N -0.07 -0.14 0.13 0.00 1.79 0.44 -1.06 116.57 117.67 2ksi h LYS 11 Ca 0.02 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.51 2ksi h LYS 11 Cb 0.16 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 30.80 2ksi h LYS 11 CO -0.00 -0.09 -0.48 0.82 -1.08 0.00 0.00 179.45 178.61 2ksi h ILE 12 N -0.14 0.06 -0.56 1.86 2.04 -1.19 -0.46 117.51 119.11 2ksi h ILE 12 Ca 0.16 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.14 2ksi h ILE 12 Cb 0.40 0.06 -0.11 0.00 -0.74 0.00 0.00 36.82 36.43 2ksi h ILE 12 CO -0.41 0.00 -0.14 0.00 0.00 0.00 0.00 178.15 177.60 2ksi h ALA 13 N -0.39 0.38 -0.73 1.87 0.00 -1.13 0.14 119.26 119.40 2ksi h ALA 13 Ca 0.00 0.22 0.08 0.00 0.00 0.00 0.00 54.91 55.22 2ksi h ALA 13 Cb 0.74 0.43 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 2ksi h ALA 13 CO -0.26 -0.43 0.39 0.87 0.00 0.00 0.00 179.25 179.82 2ksi h LYS 14 N 0.00 0.66 -0.77 0.00 1.57 -0.66 -1.06 116.57 116.31 2ksi h LYS 14 Ca 0.27 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.05 2ksi h LYS 14 Cb 0.41 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 2ksi h LYS 14 CO -0.58 0.44 0.51 -0.09 -0.57 0.00 0.00 179.45 179.16 2ksi h ARG 15 N 0.68 0.89 0.00 3.15 9.65 0.68 0.18 114.38 129.60 2ksi h ARG 15 Ca 0.34 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 59.17 2ksi h ARG 15 Cb 0.30 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.68 2ksi h ARG 15 CO -0.23 0.59 0.00 -0.07 2.80 0.00 0.00 179.97 183.06 2ksi h LEU 16 N 0.92 0.00 0.00 3.80 3.38 -0.38 0.39 115.31 123.41 2ksi h LEU 16 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2ksi h LEU 16 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2ksi h LEU 16 CO -0.10 0.00 -0.05 -0.33 0.09 0.00 0.00 178.44 178.05 2ksi h GLU 17 N 0.00 0.00 -0.04 1.13 5.08 -0.89 -3.29 114.58 116.58 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 0.08 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.34 2ksi h GLU 17 CO 0.00 0.00 -0.35 0.77 -1.00 0.00 0.00 179.01 178.43 2ksi h SER 18 N 0.00 0.37 -0.72 1.42 0.02 -0.95 -3.44 113.55 110.24 2ksi h SER 18 Ca 0.00 -0.70 -0.58 0.00 -0.84 0.00 0.00 61.79 59.66 2ksi h SER 18 Cb 0.85 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 63.24 2ksi h SER 18 CO 0.00 1.02 1.57 -0.38 -1.14 0.00 0.00 176.83 177.89 2ksi n ILE 19 N -4.42 0.04 -1.65 3.27 -0.00 -1.23 -4.85 119.36 110.52 2ksi n ILE 19 Ca -0.09 -0.27 -0.41 0.00 -0.00 0.00 0.00 62.75 61.99 2ksi n ILE 19 Cb 0.53 -1.40 0.02 0.00 -0.00 0.00 0.00 39.64 38.79 2ksi n ILE 19 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 2ksi n ASP 20 N 11.15 1.74 0.26 4.38 2.03 -1.26 -4.88 116.55 129.98 2ksi n ASP 20 Ca 0.50 1.03 0.15 0.00 0.52 0.00 0.00 54.79 56.99 2ksi n ASP 20 Cb 0.20 -1.42 0.65 0.00 -0.72 0.00 0.00 41.12 39.83 2ksi n ASP 20 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2ksi h PRO 21 N 1.62 0.00 -0.23 -0.67 0.13 -1.95 -2.47 132.00 128.42 2ksi h PRO 21 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2ksi h PRO 21 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2ksi h PRO 21 CO 0.57 0.07 0.00 0.00 -0.23 0.00 0.00 178.00 178.42 2ksi n ALA 22 N -2.14 2.48 -3.15 -0.56 0.00 -1.26 -4.65 120.51 111.22 2ksi n ALA 22 Ca 0.00 -0.44 0.05 0.00 0.00 0.00 0.00 53.44 53.04 2ksi n ALA 22 Cb 0.33 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.11 -0.97 0.49 0.00 3.04 -0.93 -5.17 114.94 110.29 2ksi s ASN 23 Ca 0.20 0.32 0.06 0.00 0.04 0.00 0.00 52.86 53.49 2ksi s ASN 23 Cb 0.10 1.70 0.01 0.00 -1.54 0.00 0.00 41.25 41.53 2ksi s ASN 23 CO 0.14 -0.18 0.37 -0.13 -3.04 0.00 0.00 177.10 174.27 2ksi s ARG 24 N 2.90 2.32 0.00 0.43 1.81 -1.26 -4.08 118.95 121.08 2ksi s ARG 24 Ca 0.14 -1.87 0.00 0.00 -1.72 0.00 0.00 55.73 52.28 2ksi s ARG 24 Cb -0.09 -2.16 0.00 0.00 -0.45 0.00 0.00 34.95 32.25 2ksi s ARG 24 CO -0.20 -0.45 0.00 1.04 -0.68 0.00 0.00 175.30 175.01 2ksi n GLN 25 N -1.65 0.00 -3.50 3.54 1.13 -1.26 -5.06 117.38 110.58 2ksi n GLN 25 Ca 0.00 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.82 2ksi n GLN 25 Cb 0.64 -0.00 -0.13 0.00 0.11 0.00 0.00 30.24 30.85 2ksi n GLN 25 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2ksi s VAL 26 N -0.03 -0.20 -0.10 5.09 1.01 -1.26 -5.12 120.40 119.79 2ksi s VAL 26 Ca 0.00 -0.57 -0.27 0.00 0.00 0.00 0.00 61.98 61.14 2ksi s VAL 26 Cb 0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 2ksi s VAL 26 CO 0.00 -0.57 0.88 -1.61 0.00 0.00 0.00 175.10 173.80 2ksi s GLU 27 N 2.20 4.40 0.11 2.72 8.01 -1.26 -5.01 118.70 129.87 2ksi s GLU 27 Ca 0.08 1.16 -0.26 0.00 0.01 0.00 0.00 54.97 55.96 2ksi s GLU 27 Cb -0.15 -3.52 0.08 0.00 -4.31 0.00 0.00 34.13 26.23 2ksi s GLU 27 CO -0.31 -0.20 1.06 -1.01 0.01 0.00 0.00 175.26 174.81 2ksi s HIS 28 N 1.66 -0.09 -0.13 1.61 3.76 -1.26 -5.16 115.29 115.68 2ksi s HIS 28 Ca 0.43 -0.17 -0.10 0.00 -0.15 0.00 0.00 55.06 55.08 2ksi s HIS 28 Cb -0.18 0.62 -0.05 0.00 1.11 0.00 0.00 32.58 34.08 2ksi s HIS 28 CO 0.18 -0.67 0.19 0.08 -0.85 0.00 0.00 174.74 173.67 2ksi s VAL 29 N -2.95 5.40 0.30 -0.90 1.01 -1.26 -4.51 120.40 117.48 2ksi s VAL 29 Ca 0.14 0.33 0.05 0.00 0.00 0.00 0.00 61.98 62.50 2ksi s VAL 29 Cb 0.00 -3.49 -0.06 0.00 0.00 0.00 0.00 36.38 32.83 2ksi s VAL 29 CO 0.01 0.54 -0.01 -0.31 0.00 0.00 0.00 175.10 175.33 2ksi s TYR 30 N -0.50 1.95 -0.01 5.22 2.02 -1.24 -1.87 117.35 122.92 2ksi s TYR 30 Ca 0.15 -0.80 0.00 0.00 -0.37 0.00 0.00 57.07 56.05 2ksi s TYR 30 Cb -0.12 -1.19 0.01 0.00 -0.40 0.00 0.00 41.96 40.25 2ksi s TYR 30 CO 0.04 0.17 -0.01 0.21 -1.57 0.00 0.00 175.55 174.39 2ksi s LYS 31 N -3.79 0.10 0.11 -0.62 2.20 -0.42 -1.40 119.74 115.92 2ksi s LYS 31 Ca 0.32 -0.00 0.08 0.00 -0.36 0.00 0.00 55.97 56.00 2ksi s LYS 31 Cb 0.06 -0.15 -0.04 0.00 -1.51 0.00 0.00 37.83 36.19 2ksi s LYS 31 CO 0.13 -0.01 -0.13 -0.06 -0.36 0.00 0.00 175.35 174.92 2ksi s PHE 32 N 0.20 2.66 -0.10 4.03 0.08 0.16 0.09 117.98 125.09 2ksi s PHE 32 Ca -0.02 -0.20 0.02 0.00 0.12 0.00 0.00 56.93 56.85 2ksi s PHE 32 Cb -0.03 -1.39 0.01 0.00 -0.57 0.00 0.00 43.02 41.04 2ksi s PHE 32 CO -0.01 0.41 -0.16 1.03 -0.10 0.00 0.00 175.22 176.40 2ksi s ARG 33 N -2.20 2.22 -0.66 0.44 3.00 -0.96 0.31 118.95 121.10 2ksi s ARG 33 Ca 0.20 -0.57 -0.08 0.00 0.00 0.00 0.00 55.73 55.29 2ksi s ARG 33 Cb -0.11 -1.86 0.17 0.00 0.00 0.00 0.00 34.95 33.15 2ksi s ARG 33 CO 0.12 -0.03 0.52 0.42 0.00 0.00 0.00 175.30 176.33 2ksi s ILE 34 N 0.89 4.42 -0.02 1.52 -1.09 -1.08 -2.57 121.20 123.28 2ksi s ILE 34 Ca -0.09 -2.55 -0.15 0.00 -2.23 0.00 0.00 60.65 55.63 2ksi s ILE 34 Cb -0.15 -3.83 -0.05 0.00 -1.58 0.00 0.00 42.46 36.85 2ksi s ILE 34 CO -0.00 -0.90 0.42 0.42 -1.23 0.00 0.00 174.94 173.65 2ksi s THR 35 N 0.31 5.05 -0.50 2.92 -4.23 -1.25 -1.71 115.64 116.24 2ksi s THR 35 Ca 0.15 0.86 -0.06 0.00 -1.18 0.00 0.00 61.69 61.47 2ksi s THR 35 Cb -0.18 -3.74 0.13 0.00 1.34 0.00 0.00 72.50 70.05 2ksi s THR 35 CO -0.05 0.53 0.33 0.00 -0.54 0.00 0.00 174.62 174.89 2ksi s GLN 36 N -0.73 2.36 0.00 3.99 -2.07 -0.67 -2.70 119.66 119.84 2ksi s GLN 36 Ca 0.24 -1.98 0.00 0.00 -1.82 0.00 0.00 55.36 51.80 2ksi s GLN 36 Cb -0.16 -3.78 0.00 0.00 -1.09 0.00 0.00 33.01 27.98 2ksi s GLN 36 CO 0.13 -1.15 0.00 0.41 -1.32 0.00 0.00 175.29 173.36 2ksi n GLY 37 N 4.46 2.43 0.00 2.60 0.00 -1.26 -3.95 105.19 109.47 2ksi n GLY 37 Ca -0.02 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 3.59 -0.02 0.00 -1.26 -5.14 105.19 102.36 2ksi n GLY 38 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.00 2.68 0.56 1.61 1.02 -1.25 -5.04 119.74 119.30 2ksi s LYS 39 Ca 0.00 -0.61 -0.21 0.00 0.02 0.00 0.00 55.97 55.17 2ksi s LYS 39 Cb 0.00 -2.56 -0.05 0.00 -0.52 0.00 0.00 37.83 34.70 2ksi s LYS 39 CO 0.00 0.64 1.25 1.55 -0.92 0.00 0.00 175.35 177.87 2ksi n VAL 40 N 1.98 3.82 0.00 3.17 3.14 -1.26 -1.68 118.33 127.51 2ksi n VAL 40 Ca -0.17 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.71 2ksi n VAL 40 Cb 0.53 -1.51 0.00 0.00 -1.06 0.00 0.00 33.84 31.80 2ksi n VAL 40 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 2ksi n VAL 41 N -1.22 0.00 -3.61 1.55 3.14 -0.70 -4.79 118.33 112.70 2ksi n VAL 41 Ca 0.12 -0.03 -0.01 0.00 -2.96 0.00 0.00 64.34 61.45 2ksi n VAL 41 Cb 0.45 0.46 -0.01 0.00 -1.06 0.00 0.00 33.84 33.67 2ksi n VAL 41 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 2ksi s LYS 42 N -1.59 0.38 0.16 1.45 2.20 -1.22 -5.05 119.74 116.07 2ksi s LYS 42 Ca 0.00 -0.18 0.09 0.00 -0.36 0.00 0.00 55.97 55.52 2ksi s LYS 42 Cb 0.00 0.15 -0.04 0.00 -1.51 0.00 0.00 37.83 36.42 2ksi s LYS 42 CO 0.00 -0.17 -0.12 0.54 -0.36 0.00 0.00 175.35 175.24 2ksi s ASN 43 N -2.59 4.12 0.06 1.43 2.20 -1.26 -2.62 114.94 116.27 2ksi s ASN 43 Ca 0.12 -0.59 0.04 0.00 -0.94 0.00 0.00 52.86 51.49 2ksi s ASN 43 Cb 0.02 -0.65 -0.03 0.00 -2.00 0.00 0.00 41.25 38.59 2ksi s ASN 43 CO -0.04 0.12 -0.12 0.26 -2.94 0.00 0.00 177.10 174.38 2ksi s TRP 44 N -1.56 1.05 -0.02 1.54 0.51 0.15 -2.73 118.94 117.87 2ksi s TRP 44 Ca 0.23 -0.47 0.05 0.00 -2.12 0.00 0.00 56.10 53.79 2ksi s TRP 44 Cb -0.09 -0.60 -0.01 0.00 -0.81 0.00 0.00 33.47 31.96 2ksi s TRP 44 CO 0.14 0.01 -0.18 0.08 -0.51 0.00 0.00 176.95 176.49 2ksi s VAL 45 N -1.29 1.41 -0.61 4.03 1.01 0.14 0.40 120.40 125.50 2ksi s VAL 45 Ca -0.04 -0.75 -0.15 0.00 0.00 0.00 0.00 61.98 61.04 2ksi s VAL 45 Cb -0.10 -1.19 0.15 0.00 0.00 0.00 0.00 36.38 35.25 2ksi s VAL 45 CO 0.02 0.40 0.55 -0.32 0.00 0.00 0.00 175.10 175.75 2ksi s MET 46 N -0.30 3.10 -0.93 2.72 1.75 -0.49 -1.94 119.30 123.22 2ksi s MET 46 Ca 0.04 -1.90 -0.22 0.00 -1.25 0.00 0.00 55.69 52.36 2ksi s MET 46 Cb -0.08 -4.30 0.08 0.00 2.84 0.00 0.00 34.83 33.36 2ksi s MET 46 CO 0.00 -1.31 1.29 0.34 -0.65 0.00 0.00 175.02 174.69 2ksi s ASP 47 N 3.17 6.48 0.00 1.11 -1.08 -1.14 -3.67 116.67 121.54 2ksi s ASP 47 Ca 0.07 -1.49 0.30 0.00 -0.52 0.00 0.00 52.55 50.91 2ksi s ASP 47 Cb -0.25 -2.50 1.52 0.00 -1.46 0.00 0.00 42.92 40.23 2ksi s ASP 47 CO -0.00 -1.40 2.03 0.18 0.52 0.00 0.00 175.17 176.50 2ksi n LEU 48 N 8.10 0.22 -0.07 -1.34 4.32 -1.26 -1.53 117.00 125.44 2ksi n LEU 48 Ca 0.24 0.08 -0.09 0.00 -0.02 0.00 0.00 56.01 56.22 2ksi n LEU 48 Cb 0.50 -0.16 -0.05 0.00 -1.62 0.00 0.00 43.42 42.09 2ksi n LEU 48 CO 0.61 0.04 -0.20 0.11 -1.22 0.00 0.00 177.39 176.73 2ksi h LYS 49 N 0.29 0.00 -0.00 3.23 1.57 -1.90 -3.38 116.57 116.39 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 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2ksi h LYS 49 CO 0.00 0.39 -0.42 0.09 -0.57 0.00 0.00 179.45 178.93 2ksi n ASN 50 N -4.61 0.50 -2.21 0.86 4.13 -1.25 -4.96 115.26 107.72 2ksi n ASN 50 Ca -0.12 -0.24 -0.09 0.00 1.68 0.00 0.00 54.58 55.81 2ksi n ASN 50 Cb 0.33 0.16 0.04 0.00 -1.54 0.00 0.00 39.78 38.78 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 -1.41 -2.84 -3.68 2.41 0.31 -0.58 -5.05 118.33 107.49 2ksi n VAL 51 Ca 0.06 -0.22 -0.12 0.00 -0.01 0.00 0.00 64.34 64.05 2ksi n VAL 51 Cb 0.34 -3.64 -0.12 0.00 -0.91 0.00 0.00 33.84 29.51 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 -4.81 0.21 -0.69 5.55 2.20 -0.77 -4.78 119.74 116.63 2ksi s LYS 52 Ca 0.04 0.76 -0.25 0.00 -0.36 0.00 0.00 55.97 56.16 2ksi s LYS 52 Cb -0.02 0.01 0.05 0.00 -1.51 0.00 0.00 37.83 36.36 2ksi s LYS 52 CO 0.37 -0.24 1.13 -0.51 -0.36 0.00 0.00 175.35 175.74 2ksi s LEU 53 N 2.13 3.73 0.60 5.43 1.02 -1.26 -2.89 118.68 127.44 2ksi s LEU 53 Ca -0.02 -0.67 0.05 0.00 0.02 0.00 0.00 54.13 53.51 2ksi s LEU 53 Cb -0.11 -2.52 0.08 0.00 0.02 0.00 0.00 46.19 43.66 2ksi s LEU 53 CO -0.10 -1.64 0.83 0.68 0.02 0.00 0.00 176.35 176.14 2ksi s VAL 54 N 4.94 2.34 -0.30 -1.59 -7.23 -0.82 -4.91 120.40 112.83 2ksi s VAL 54 Ca 0.29 -0.81 -0.06 0.00 -1.81 0.00 0.00 61.98 59.59 2ksi s VAL 54 Cb -0.12 -2.53 0.02 0.00 0.56 0.00 0.00 36.38 34.31 2ksi s VAL 54 CO 0.13 0.00 0.07 -1.83 -0.31 0.00 0.00 175.10 173.16 2ksi s GLU 55 N -4.80 2.93 0.10 4.82 -1.05 -1.26 0.27 118.70 119.71 2ksi s GLU 55 Ca 0.62 -0.96 -0.26 0.00 -0.15 0.00 0.00 54.97 54.21 2ksi s GLU 55 Cb -0.07 -3.36 0.08 0.00 -0.44 0.00 0.00 34.13 30.34 2ksi s GLU 55 CO 0.40 -0.50 0.93 -1.12 0.95 0.00 0.00 175.26 175.91 2ksi s SER 56 N 1.45 -0.25 -0.18 0.83 0.01 -1.11 -4.84 113.70 109.62 2ksi s SER 56 Ca 0.01 -0.25 0.01 0.00 1.31 0.00 0.00 55.95 57.03 2ksi s SER 56 Cb -0.18 0.45 0.03 0.00 0.21 0.00 0.00 66.02 66.54 2ksi s SER 56 CO 0.02 -0.80 -0.14 1.51 0.41 0.00 0.00 173.24 174.24 2ksi s ASP 57 N -2.78 3.14 0.16 2.44 1.47 -1.26 -2.86 116.67 116.98 2ksi s ASP 57 Ca 0.09 -0.72 -0.16 0.00 1.18 0.00 0.00 52.55 52.94 2ksi s ASP 57 Cb -0.01 -1.28 0.03 0.00 -0.34 0.00 0.00 42.92 41.31 2ksi s ASP 57 CO -0.02 -0.09 0.44 -1.81 0.68 0.00 0.00 175.17 174.37 2ksi s ASP 58 N 1.39 -0.20 -0.94 2.11 1.11 -1.26 -5.09 116.67 113.79 2ksi s ASP 58 Ca 0.02 -0.47 -0.24 0.00 0.18 0.00 0.00 52.55 52.04 2ksi s ASP 58 Cb -0.15 0.51 0.00 0.00 1.07 0.00 0.00 42.92 44.36 2ksi s ASP 58 CO -0.10 -0.95 1.68 0.00 1.18 0.00 0.00 175.17 176.99 2ksi s ALA 59 N -3.86 2.22 0.39 5.23 0.00 -1.26 -4.89 121.76 119.60 2ksi s ALA 59 Ca 0.08 -1.82 -0.02 0.00 0.00 0.00 0.00 51.96 50.19 2ksi s ALA 59 Cb 0.01 -4.52 -0.04 0.00 0.00 0.00 0.00 23.12 18.57 2ksi s ALA 59 CO -0.06 -4.16 0.64 0.00 0.00 0.00 0.00 175.76 172.18 2ksi s ALA 60 N 7.46 3.58 0.42 0.00 0.00 -1.26 -4.98 121.76 126.98 2ksi s ALA 60 Ca 0.57 -0.72 0.25 0.00 0.00 0.00 0.00 51.96 52.06 2ksi s ALA 60 Cb -0.04 -2.31 1.36 0.00 0.00 0.00 0.00 23.12 22.13 2ksi s ALA 60 CO -0.04 -0.12 2.06 1.49 0.00 0.00 0.00 175.76 179.15 2ksi h GLU 61 N 0.64 0.00 -3.49 0.00 4.57 -1.75 -3.41 114.58 111.14 2ksi h GLU 61 Ca -0.48 0.00 -0.36 0.00 -1.18 0.00 0.00 59.36 57.34 2ksi h GLU 61 Cb 1.21 0.00 -0.37 0.00 -0.16 0.00 0.00 28.75 29.43 2ksi h GLU 61 CO 0.62 0.13 -0.74 0.00 -1.18 0.00 0.00 179.01 177.84 2ksi s ALA 62 N -4.28 0.27 -0.19 2.92 0.00 -1.17 -4.45 121.76 114.86 2ksi s ALA 62 Ca -0.03 0.17 -0.02 0.00 0.00 0.00 0.00 51.96 52.08 2ksi s ALA 62 Cb 0.14 -0.49 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 2ksi s ALA 62 CO 0.61 -0.31 -0.08 0.99 0.00 0.00 0.00 175.76 176.97 2ksi s THR 63 N 1.66 3.24 -0.36 0.00 2.01 0.16 -1.30 115.64 121.06 2ksi s THR 63 Ca -0.01 -0.56 -0.02 0.00 0.31 0.00 0.00 61.69 61.41 2ksi s THR 63 Cb -0.13 -2.43 0.08 0.00 0.01 0.00 0.00 72.50 70.03 2ksi s THR 63 CO -0.03 0.47 0.10 -0.76 -0.69 0.00 0.00 174.62 173.71 2ksi s LEU 64 N 1.05 4.62 -0.24 4.42 2.01 0.11 -1.47 118.68 129.18 2ksi s LEU 64 Ca 0.00 -1.68 -0.11 0.00 0.01 0.00 0.00 54.13 52.34 2ksi s LEU 64 Cb -0.15 -1.77 -0.05 0.00 0.01 0.00 0.00 46.19 44.24 2ksi s LEU 64 CO -0.01 -0.41 0.20 -0.89 1.01 0.00 0.00 176.35 176.25 2ksi s THR 65 N 1.18 5.33 -0.16 5.49 2.01 -1.21 -2.26 115.64 126.03 2ksi s THR 65 Ca 0.02 0.25 -0.17 0.00 0.31 0.00 0.00 61.69 62.10 2ksi s THR 65 Cb -0.21 -3.53 0.05 0.00 0.01 0.00 0.00 72.50 68.81 2ksi s THR 65 CO -0.03 0.32 0.48 -0.04 -0.69 0.00 0.00 174.62 174.66 2ksi s MET 66 N 1.17 0.60 0.69 4.92 -1.94 -1.06 -4.00 119.30 119.68 2ksi s MET 66 Ca 0.09 0.58 -0.13 0.00 -1.71 0.00 0.00 55.69 54.52 2ksi s MET 66 Cb -0.14 0.29 0.02 0.00 2.01 0.00 0.00 34.83 37.01 2ksi s MET 66 CO 0.06 -0.09 1.09 -1.21 -0.01 0.00 0.00 175.02 174.86 2ksi s GLU 67 N 0.05 2.67 0.15 2.03 0.41 -1.26 -3.81 118.70 118.94 2ksi s GLU 67 Ca -0.02 1.26 -0.27 0.00 -0.41 0.00 0.00 54.97 55.53 2ksi s GLU 67 Cb -0.03 -1.94 -0.01 0.00 -1.78 0.00 0.00 34.13 30.37 2ksi s GLU 67 CO 0.01 -1.33 1.58 0.22 -0.49 0.00 0.00 175.26 175.25 2ksi h ASP 68 N -0.39 -1.38 -1.01 -0.19 3.58 -1.84 0.41 116.42 115.60 2ksi h ASP 68 Ca -0.45 0.21 0.27 0.00 0.42 0.00 0.00 57.03 57.47 2ksi h ASP 68 Cb 1.24 0.60 -0.07 0.00 1.72 0.00 0.00 39.33 42.82 2ksi h ASP 68 CO 0.54 -0.37 0.69 -2.24 -2.88 0.00 0.00 179.24 174.97 2ksi h ASP 69 N -0.35 0.25 1.45 2.28 2.03 -1.92 0.71 116.42 120.87 2ksi h ASP 69 Ca 0.13 0.04 -0.05 0.00 -0.73 0.00 0.00 57.03 56.42 2ksi h ASP 69 Cb 0.59 -0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.08 2ksi h ASP 69 CO -0.54 0.07 -0.57 0.40 -1.03 0.00 0.00 179.24 177.56 2ksi h ILE 70 N 0.23 0.31 0.29 4.15 1.08 -0.83 -3.23 117.51 119.52 2ksi h ILE 70 Ca 0.53 -1.48 -0.01 0.00 -0.39 0.00 0.00 64.86 63.50 2ksi h ILE 70 Cb 1.64 2.01 0.00 0.00 -3.07 0.00 0.00 36.82 37.40 2ksi h ILE 70 CO -0.15 0.18 -0.14 -0.03 -0.69 0.00 0.00 178.15 177.32 2ksi h MET 71 N 0.00 -0.38 0.00 2.37 4.05 0.44 0.52 114.93 121.93 2ksi h MET 71 Ca -0.02 0.03 -0.08 0.00 -0.28 0.00 0.00 59.70 59.34 2ksi h MET 71 Cb 1.19 0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 32.07 2ksi h MET 71 CO 0.02 -0.22 -0.38 0.27 0.23 0.00 0.00 176.91 176.84 2ksi h PHE 72 N -0.45 0.00 0.26 1.39 -5.15 -1.64 -0.20 116.94 111.16 2ksi h PHE 72 Ca -0.04 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.72 2ksi h PHE 72 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.51 2ksi h PHE 72 CO -0.04 0.38 -0.13 0.00 -2.00 0.00 0.00 178.31 176.52 2ksi h ALA 73 N 1.62 -0.36 -0.29 12.09 0.00 -1.50 -3.03 119.26 127.78 2ksi h ALA 73 Ca -0.00 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.84 2ksi h ALA 73 Cb 0.69 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2ksi h ALA 73 CO 0.05 -0.34 0.17 0.82 0.00 0.00 0.00 179.25 179.96 2ksi h ILE 74 N -1.06 1.04 -0.81 0.00 1.08 -0.00 0.44 117.51 118.19 2ksi h ILE 74 Ca -0.04 -0.12 0.18 0.00 -0.39 0.00 0.00 64.86 64.49 2ksi h ILE 74 Cb 0.27 0.65 -0.05 0.00 -3.07 0.00 0.00 36.82 34.62 2ksi h ILE 74 CO 0.06 0.07 0.55 1.23 -0.69 0.00 0.00 178.15 179.36 2ksi h GLY 75 N 0.36 0.66 -2.18 5.37 0.00 -1.17 0.30 103.07 106.41 2ksi h GLY 75 Ca 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2ksi h GLY 75 CO -0.05 0.02 0.00 -1.30 0.00 0.00 0.00 176.54 175.22 2ksi n THR 76 N -4.47 0.42 -3.38 4.70 -2.24 -0.84 -4.58 114.28 103.89 2ksi n THR 76 Ca 0.16 -0.69 -0.19 0.00 -2.27 0.00 0.00 64.05 61.07 2ksi n THR 76 Cb 0.64 1.02 0.07 0.00 -2.10 0.00 0.00 70.33 69.96 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 1.47 -0.33 0.13 3.38 0.00 0.11 -4.81 105.19 105.14 2ksi n GLY 77 Ca 0.19 0.10 -0.21 0.00 0.00 0.00 0.00 46.02 46.09 2ksi n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ksi n ALA 78 N -4.33 1.02 -2.71 4.61 0.00 0.13 -4.95 120.51 114.30 2ksi n ALA 78 Ca -0.10 -0.74 -0.32 0.00 0.00 0.00 0.00 53.44 52.29 2ksi n ALA 78 Cb 0.59 -0.46 -0.08 0.00 0.00 0.00 0.00 19.45 19.50 2ksi n ALA 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ksi s LEU 79 N -7.09 3.59 -0.25 0.00 1.43 -1.25 -5.01 118.68 110.10 2ksi s LEU 79 Ca -0.28 -0.02 -0.29 0.00 -1.03 0.00 0.00 54.13 52.51 2ksi s LEU 79 Cb 0.08 -2.14 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 2ksi s LEU 79 CO 0.68 0.24 1.62 -2.16 0.23 0.00 0.00 176.35 176.97 2ksi s PRO 80 N -1.84 3.73 0.48 1.29 0.04 -1.26 -4.65 135.00 132.79 2ksi s PRO 80 Ca 0.22 1.59 0.17 0.00 0.04 0.00 0.00 61.00 63.02 2ksi s PRO 80 Cb -0.12 -4.05 1.18 0.00 0.04 0.00 0.00 34.50 31.55 2ksi s PRO 80 CO 0.14 -1.38 2.04 0.00 0.04 0.00 0.00 177.00 177.84 2ksi h ALA 81 N 10.98 2.12 0.14 8.56 0.00 -1.98 0.18 119.26 139.26 2ksi h ALA 81 Ca -0.33 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2ksi h ALA 81 Cb 1.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2ksi h ALA 81 CO 1.01 -0.21 -0.07 0.87 0.00 0.00 0.00 179.25 180.85 2ksi h LYS 82 N 0.20 -0.18 -0.43 0.00 1.57 -1.99 -2.85 116.57 112.90 2ksi h LYS 82 Ca 0.19 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 2ksi h LYS 82 Cb 0.48 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 2ksi h LYS 82 CO -0.03 0.27 0.20 1.49 -0.57 0.00 0.00 179.45 180.80 2ksi h GLU 83 N -0.74 0.63 -0.36 3.15 4.57 -1.86 0.29 114.58 120.25 2ksi h GLU 83 Ca -0.02 -0.10 0.08 0.00 -1.18 0.00 0.00 59.36 58.14 2ksi h GLU 83 Cb 0.53 -0.11 -0.08 0.00 -0.16 0.00 0.00 28.75 28.93 2ksi h GLU 83 CO 0.03 0.55 -0.18 0.00 -1.18 0.00 0.00 179.01 178.23 2ksi h ALA 84 N 1.04 0.09 0.00 2.92 0.00 -0.74 -0.72 119.26 121.85 2ksi h ALA 84 Ca 0.15 0.13 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 2ksi h ALA 84 Cb 0.14 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2ksi h ALA 84 CO -0.02 -0.56 -0.54 0.52 0.00 0.00 0.00 179.25 178.65 2ksi h MET 85 N -0.12 0.00 -0.31 0.00 2.86 -1.36 -3.08 114.93 112.92 2ksi h MET 85 Ca 0.18 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.84 2ksi h MET 85 Cb 0.40 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 2ksi h MET 85 CO -0.43 0.54 0.21 0.00 1.06 0.00 0.00 176.91 178.29 2ksi h ALA 86 N 1.46 1.86 -0.46 6.32 0.00 0.10 -0.75 119.26 127.79 2ksi h ALA 86 Ca -0.01 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 2ksi h ALA 86 Cb 1.21 -0.10 -0.12 0.00 0.00 0.00 0.00 17.79 18.78 2ksi h ALA 86 CO 0.07 0.11 0.26 1.04 0.00 0.00 0.00 179.25 180.73 2ksi n GLN 87 N -4.49 1.94 -2.40 0.00 6.02 -0.75 -4.84 117.38 112.85 2ksi n GLN 87 Ca 0.02 -1.55 -0.07 0.00 -0.01 0.00 0.00 57.00 55.39 2ksi n GLN 87 Cb 0.12 -1.66 -0.00 0.00 1.02 0.00 0.00 30.24 29.71 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 -0.19 -2.66 -0.77 1.08 8.00 -0.29 -4.76 116.55 116.97 2ksi n ASP 88 Ca 0.27 0.31 0.10 0.00 0.71 0.00 0.00 54.79 56.19 2ksi n ASP 88 Cb 1.02 -2.34 0.30 0.00 -0.02 0.00 0.00 41.12 40.08 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 -2.61 2.00 -3.52 -1.24 4.76 -1.17 -4.90 118.16 111.48 2ksi n LYS 89 Ca -0.08 -1.52 -0.18 0.00 -2.87 0.00 0.00 58.31 53.66 2ksi n LYS 89 Cb 0.55 -1.42 -0.06 0.00 -1.84 0.00 0.00 35.03 32.26 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 -1.65 1.06 -0.27 1.97 -1.94 -1.26 -4.83 119.30 112.39 2ksi s MET 90 Ca 0.34 0.22 0.03 0.00 -1.71 0.00 0.00 55.69 54.56 2ksi s MET 90 Cb 0.19 0.50 0.07 0.00 2.01 0.00 0.00 34.83 37.60 2ksi s MET 90 CO 0.27 -0.34 -0.07 -1.21 -0.01 0.00 0.00 175.02 173.66 2ksi s GLU 91 N -1.33 1.95 -0.08 2.03 2.02 -1.26 -4.79 118.70 117.25 2ksi s GLU 91 Ca -0.10 -1.37 0.02 0.00 0.02 0.00 0.00 54.97 53.53 2ksi s GLU 91 Cb -0.00 -2.87 -0.02 0.00 0.10 0.00 0.00 34.13 31.33 2ksi s GLU 91 CO 0.09 -0.65 -0.11 0.54 0.02 0.00 0.00 175.26 175.14 2ksi s VAL 92 N 1.13 3.28 -0.19 2.63 0.11 -1.26 -3.31 120.40 122.79 2ksi s VAL 92 Ca -0.04 -0.63 -0.01 0.00 -2.93 0.00 0.00 61.98 58.37 2ksi s VAL 92 Cb -0.20 -2.33 0.05 0.00 -1.53 0.00 0.00 36.38 32.38 2ksi s VAL 92 CO -0.06 0.57 -0.02 -1.81 -3.33 0.00 0.00 175.10 170.45 2ksi s ASP 93 N -0.48 3.05 0.00 3.54 1.01 -0.54 -5.03 116.67 118.22 2ksi s ASP 93 Ca 0.06 -0.82 0.00 0.00 0.71 0.00 0.00 52.55 52.50 2ksi s ASP 93 Cb -0.12 -0.84 0.00 0.00 1.01 0.00 0.00 42.92 42.97 2ksi s ASP 93 CO 0.02 -0.24 0.00 0.61 0.21 0.00 0.00 175.17 175.77 2ksi n GLY 94 N 4.90 1.75 3.68 0.21 0.00 -1.26 0.39 105.19 114.86 2ksi n GLY 94 Ca -0.11 -0.96 -0.44 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.69 2.59 -0.32 1.61 -0.06 -1.26 -4.86 117.38 114.39 2ksi n GLN 95 Ca 0.00 0.94 0.06 0.00 -2.00 0.00 0.00 57.00 56.00 2ksi n GLN 95 Cb 0.00 -2.81 0.15 0.00 -4.06 0.00 0.00 30.24 23.52 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 4.63 0.11 -0.26 1.69 2.07 -1.99 0.28 116.25 122.77 2ksi h VAL 96 Ca -0.47 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 2ksi h VAL 96 Cb 1.24 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2ksi h VAL 96 CO 0.94 0.00 0.15 -0.33 0.02 0.00 0.00 177.57 178.35 2ksi h GLU 97 N 0.01 0.36 -0.43 1.57 5.08 -1.97 -0.67 114.58 118.53 2ksi h GLU 97 Ca 0.46 -0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.87 2ksi h GLU 97 Cb 0.77 -0.07 -0.10 0.00 0.50 0.00 0.00 28.75 29.85 2ksi h GLU 97 CO -0.90 0.30 -0.32 -0.07 -1.00 0.00 0.00 179.01 177.02 2ksi h LEU 98 N 0.32 -1.08 -1.36 1.33 -0.00 -0.84 0.28 115.31 113.96 2ksi h LEU 98 Ca 0.09 0.20 -0.05 0.00 -0.00 0.00 0.00 57.88 58.12 2ksi h LEU 98 Cb 0.04 0.51 -0.01 0.00 -0.00 0.00 0.00 40.66 41.20 2ksi h LEU 98 CO -0.02 -0.31 -0.25 0.16 -0.00 0.00 0.00 178.44 178.02 2ksi h ILE 99 N -0.23 0.76 0.00 1.22 3.07 -1.24 -2.26 117.51 118.84 2ksi h ILE 99 Ca 0.18 -1.05 0.00 0.00 1.55 0.00 0.00 64.86 65.54 2ksi h ILE 99 Cb 0.54 1.65 0.00 0.00 -0.27 0.00 0.00 36.82 38.74 2ksi h ILE 99 CO -0.56 0.25 0.00 0.15 -1.05 0.00 0.00 178.15 176.94 2ksi h PHE 100 N 0.00 0.00 -0.00 0.16 3.57 0.10 -3.08 116.94 117.69 2ksi h PHE 100 Ca -0.00 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.31 2ksi h PHE 100 Cb 0.63 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 2ksi h PHE 100 CO 0.00 0.00 -0.83 -0.07 -2.23 0.00 0.00 178.31 175.18 2ksi h LEU 101 N 0.00 0.16 -0.08 0.59 -0.00 -0.09 -3.07 115.31 112.83 2ksi h LEU 101 Ca 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.75 2ksi h LEU 101 Cb 0.66 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.27 2ksi h LEU 101 CO 0.00 0.92 -0.27 0.18 -0.00 0.00 0.00 178.44 179.27 2ksi n LEU 102 N -3.65 0.40 0.08 1.67 4.32 -1.17 -4.01 117.00 114.63 2ksi n LEU 102 Ca -0.02 0.12 -0.13 0.00 -0.02 0.00 0.00 56.01 55.96 2ksi n LEU 102 Cb 0.78 -0.30 -0.08 0.00 -1.62 0.00 0.00 43.42 42.20 2ksi n LEU 102 CO 0.46 0.09 0.74 -0.33 -1.22 0.00 0.00 177.39 177.13 2ksi h GLU 103 N 0.20 -0.15 0.00 3.23 5.08 -1.50 -2.02 114.58 119.43 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 0.47 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2ksi h GLU 103 CO 0.00 0.06 0.00 -0.35 -1.00 0.00 0.00 179.01 177.72 2ksi n PRO 104 N -5.07 0.00 0.03 2.33 -0.04 -1.26 -2.08 135.00 128.91 2ksi n PRO 104 Ca -0.08 0.26 0.11 0.00 -0.04 0.00 0.00 63.50 63.75 2ksi n PRO 104 Cb 0.16 -1.51 -0.06 0.00 -0.04 0.00 0.00 33.50 32.05 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 -1.52 0.31 -0.21 0.54 3.72 -1.01 -4.29 117.46 115.01 2ksi n PHE 105 Ca 0.03 0.09 -0.02 0.00 -0.05 0.00 0.00 57.45 57.51 2ksi n PHE 105 Cb 0.17 -0.54 0.09 0.00 -0.94 0.00 0.00 39.48 38.26 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 0.91 -0.82 4.37 2.04 -0.80 -1.91 117.51 121.29 2ksi h ILE 106 Ca 0.00 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 65.68 2ksi h ILE 106 Cb 0.86 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 2ksi h ILE 106 CO 0.00 0.10 0.54 0.00 0.00 0.00 0.00 178.15 178.79 2ksi h ALA 107 N 1.35 1.05 -0.68 1.87 0.00 -1.75 -1.62 119.26 119.49 2ksi h ALA 107 Ca 0.29 -0.05 0.20 0.00 0.00 0.00 0.00 54.91 55.34 2ksi h ALA 107 Cb 0.24 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2ksi h ALA 107 CO -0.21 0.43 0.61 0.77 0.00 0.00 0.00 179.25 180.84 2ksi h SER 108 N 1.09 0.00 -4.05 0.00 0.02 -1.56 -3.41 113.55 105.64 2ksi h SER 108 Ca 0.31 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.81 2ksi h SER 108 Cb -0.09 0.00 0.15 0.00 0.14 0.00 0.00 62.40 62.59 2ksi h SER 108 CO -0.08 0.00 0.26 -0.76 -1.14 0.00 0.00 176.83 175.11 2ksi s LEU 109 N -7.77 1.78 0.00 5.07 1.43 -0.61 -4.98 118.68 113.61 2ksi s LEU 109 Ca -0.04 0.95 0.00 0.00 -1.03 0.00 0.00 54.13 54.00 2ksi s LEU 109 Cb 0.18 -3.15 0.00 0.00 0.03 0.00 0.00 46.19 43.25 2ksi s LEU 109 CO 0.63 -2.89 0.00 1.17 0.23 0.00 0.00 176.35 175.49