#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 7.23 0.64 3.17 0.01 -1.26 -5.04 113.70 118.45 2ksi s SER 2 Ca 0.00 1.87 0.04 0.00 1.31 0.00 0.00 55.95 59.17 2ksi s SER 2 Cb 0.00 -2.58 0.11 0.00 0.21 0.00 0.00 66.02 63.76 2ksi s SER 2 CO 0.00 -0.34 0.89 -1.48 0.41 0.00 0.00 173.24 172.71 2ksi s LEU 3 N 0.86 3.06 0.02 2.44 2.34 -1.26 -5.02 118.68 121.12 2ksi s LEU 3 Ca 0.55 -0.60 -0.27 0.00 0.06 0.00 0.00 54.13 53.86 2ksi s LEU 3 Cb -0.26 -1.82 -0.16 0.00 -0.56 0.00 0.00 46.19 43.39 2ksi s LEU 3 CO 0.29 -1.59 1.18 0.11 -1.06 0.00 0.00 176.35 175.28 2ksi h LYS 4 N -0.16 -0.86 -1.31 1.48 1.79 -1.99 -2.92 116.57 112.61 2ksi h LYS 4 Ca -0.33 0.06 0.38 0.00 -2.18 0.00 0.00 60.65 58.58 2ksi h LYS 4 Cb 1.28 0.20 -0.05 0.00 -1.58 0.00 0.00 32.23 32.07 2ksi h LYS 4 CO 0.40 -0.55 0.98 0.77 -1.08 0.00 0.00 179.45 179.98 2ksi h SER 5 N -1.16 0.00 -0.29 0.86 0.02 -1.93 0.15 113.55 111.19 2ksi h SER 5 Ca -0.09 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 60.92 2ksi h SER 5 Cb 0.71 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.20 2ksi h SER 5 CO 0.15 0.00 -0.07 -0.78 -1.14 0.00 0.00 176.83 174.99 2ksi h ASP 6 N 0.00 -0.26 -0.93 3.07 1.82 -1.91 -0.99 116.42 117.22 2ksi h ASP 6 Ca 0.62 0.09 0.18 0.00 -0.39 0.00 0.00 57.03 57.53 2ksi h ASP 6 Cb 2.58 0.18 -0.08 0.00 0.68 0.00 0.00 39.33 42.69 2ksi h ASP 6 CO -0.01 -0.09 0.60 -0.08 -1.61 0.00 0.00 179.24 178.05 2ksi h GLU 7 N 0.00 0.58 0.46 0.28 4.57 -0.79 -2.26 114.58 117.43 2ksi h GLU 7 Ca 0.14 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.28 2ksi h GLU 7 Cb 0.21 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.65 2ksi h GLU 7 CO -0.30 0.39 -0.51 0.28 -1.18 0.00 0.00 179.01 177.69 2ksi h VAL 8 N 0.60 0.02 -0.74 0.32 2.07 -1.24 0.20 116.25 117.47 2ksi h VAL 8 Ca 0.49 0.00 0.15 0.00 0.82 0.00 0.00 66.70 68.16 2ksi h VAL 8 Cb 0.95 0.02 -0.10 0.00 -1.52 0.00 0.00 31.29 30.63 2ksi h VAL 8 CO -0.24 0.00 0.23 -0.26 0.02 0.00 0.00 177.57 177.32 2ksi h PHE 9 N -0.98 0.37 -0.74 1.57 0.04 -1.33 0.42 116.94 116.30 2ksi h PHE 9 Ca -0.05 0.04 -0.04 0.00 2.80 0.00 0.00 57.97 60.71 2ksi h PHE 9 Cb 0.86 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.93 2ksi h PHE 9 CO -0.28 -0.03 0.30 0.00 -0.60 0.00 0.00 178.31 177.70 2ksi h ALA 10 N 1.58 0.96 0.20 2.45 0.00 -1.16 -2.13 119.26 121.16 2ksi h ALA 10 Ca 0.41 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2ksi h ALA 10 Cb 0.68 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2ksi h ALA 10 CO -0.46 0.58 -0.10 0.87 0.00 0.00 0.00 179.25 180.14 2ksi h LYS 11 N 1.06 -0.26 -0.13 0.00 6.56 0.14 -0.41 116.57 123.53 2ksi h LYS 11 Ca 0.25 0.02 0.04 0.00 -1.06 0.00 0.00 60.65 59.90 2ksi h LYS 11 Cb 0.21 0.06 -0.05 0.00 -0.57 0.00 0.00 32.23 31.88 2ksi h LYS 11 CO -0.02 -0.11 -0.16 0.82 -2.06 0.00 0.00 179.45 177.92 2ksi h ILE 12 N -0.35 0.58 0.00 1.86 2.04 -1.02 0.05 117.51 120.68 2ksi h ILE 12 Ca -0.03 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.85 2ksi h ILE 12 Cb 0.27 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 2ksi h ILE 12 CO 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 178.15 178.08 2ksi h ALA 13 N 0.86 -0.14 -0.60 1.87 0.00 -1.32 -1.62 119.26 118.32 2ksi h ALA 13 Ca 0.10 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.11 2ksi h ALA 13 Cb 0.33 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 2ksi h ALA 13 CO -0.25 -0.61 0.40 -0.22 0.00 0.00 0.00 179.25 178.57 2ksi h LYS 14 N -0.20 0.37 -0.22 0.00 3.64 -0.73 -0.34 116.57 119.10 2ksi h LYS 14 Ca 0.04 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.27 2ksi h LYS 14 Cb 0.25 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 2ksi h LYS 14 CO -0.11 0.25 -0.39 -0.09 -2.27 0.00 0.00 179.45 176.83 2ksi h ARG 15 N 0.39 0.51 -0.27 1.90 1.12 -0.10 -2.90 114.38 115.03 2ksi h ARG 15 Ca 0.28 -0.25 -0.01 0.00 -1.11 0.00 0.00 59.98 58.89 2ksi h ARG 15 Cb 0.57 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.52 2ksi h ARG 15 CO -0.07 0.82 0.12 -0.07 -3.11 0.00 0.00 179.97 177.66 2ksi h LEU 16 N 0.42 0.32 -1.23 3.80 3.38 -0.19 -0.36 115.31 121.44 2ksi h LEU 16 Ca 0.04 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2ksi h LEU 16 Cb 0.87 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2ksi h LEU 16 CO 0.07 0.28 0.00 -0.33 0.09 0.00 0.00 178.44 178.56 2ksi h GLU 17 N 0.37 0.00 0.01 1.13 5.08 -1.37 -2.91 114.58 116.89 2ksi h GLU 17 Ca 0.09 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2ksi h GLU 17 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2ksi h GLU 17 CO -0.01 0.00 -0.00 1.03 -1.00 0.00 0.00 179.01 179.02 2ksi h SER 18 N 0.00 -0.01 -0.69 1.42 0.87 -1.15 -3.43 113.55 110.55 2ksi h SER 18 Ca 0.00 -0.72 -0.59 0.00 -1.23 0.00 0.00 61.79 59.25 2ksi h SER 18 Cb 0.25 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.17 2ksi h SER 18 CO 0.00 0.72 1.55 -0.38 -0.53 0.00 0.00 176.83 178.20 2ksi n ILE 19 N -4.74 0.05 -2.01 2.23 -0.00 -1.10 -4.87 119.36 108.91 2ksi n ILE 19 Ca -0.09 -0.25 -0.38 0.00 -0.00 0.00 0.00 62.75 62.03 2ksi n ILE 19 Cb 0.36 -1.35 0.01 0.00 -0.00 0.00 0.00 39.64 38.65 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 8.64 5.91 0.29 4.38 1.11 -1.26 -4.90 116.67 130.84 2ksi s ASP 20 Ca 1.17 2.60 0.25 0.00 0.18 0.00 0.00 52.55 56.75 2ksi s ASP 20 Cb -0.94 -2.63 1.03 0.00 1.07 0.00 0.00 42.92 41.45 2ksi s ASP 20 CO 0.47 -1.12 1.74 1.55 1.18 0.00 0.00 175.17 178.99 2ksi h PRO 21 N 2.09 0.00 0.00 8.23 0.13 -1.96 -2.50 132.00 137.99 2ksi h PRO 21 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2ksi h PRO 21 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2ksi h PRO 21 CO 0.60 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.37 2ksi n ALA 22 N -1.81 2.55 -3.15 -0.56 0.00 -1.26 -4.59 120.51 111.69 2ksi n ALA 22 Ca 0.02 -0.17 0.05 0.00 0.00 0.00 0.00 53.44 53.34 2ksi n ALA 22 Cb 0.23 -1.48 -0.01 0.00 0.00 0.00 0.00 19.45 18.19 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 -2.23 -0.87 0.40 0.00 2.47 -0.94 -5.17 114.94 108.60 2ksi s ASN 23 Ca 0.38 0.29 0.08 0.00 0.42 0.00 0.00 52.86 54.03 2ksi s ASN 23 Cb 0.20 1.63 -0.03 0.00 -1.45 0.00 0.00 41.25 41.60 2ksi s ASN 23 CO 0.39 -0.16 0.29 -0.13 -3.72 0.00 0.00 177.10 173.77 2ksi s ARG 24 N 2.91 2.44 0.00 0.43 1.81 -1.26 -4.34 118.95 120.94 2ksi s ARG 24 Ca 0.14 -1.61 0.00 0.00 -1.72 0.00 0.00 55.73 52.54 2ksi s ARG 24 Cb -0.08 -2.25 0.00 0.00 -0.45 0.00 0.00 34.95 32.17 2ksi s ARG 24 CO -0.20 -0.12 0.00 1.04 -0.68 0.00 0.00 175.30 175.34 2ksi n GLN 25 N -1.41 0.00 -3.47 3.54 1.13 -1.26 -5.09 117.38 110.83 2ksi n GLN 25 Ca 0.01 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.98 2ksi n GLN 25 Cb 0.62 -0.02 -0.09 0.00 0.11 0.00 0.00 30.24 30.87 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 -0.15 -0.60 -0.06 5.09 1.01 -1.26 -5.15 120.40 119.28 2ksi s VAL 26 Ca 0.00 0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.06 2ksi s VAL 26 Cb 0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.63 2ksi s VAL 26 CO 0.00 -0.05 -0.22 -1.83 0.00 0.00 0.00 175.10 173.00 2ksi s GLU 27 N 2.55 2.63 0.32 2.72 4.04 -1.26 -5.08 118.70 124.62 2ksi s GLU 27 Ca 0.08 -0.85 -0.18 0.00 0.04 0.00 0.00 54.97 54.06 2ksi s GLU 27 Cb -0.14 -2.25 0.06 0.00 0.02 0.00 0.00 34.13 31.82 2ksi s GLU 27 CO -0.14 0.41 0.87 -1.01 -1.84 0.00 0.00 175.26 173.54 2ksi s HIS 28 N -0.21 0.11 -0.21 4.83 3.76 -1.26 -5.05 115.29 117.26 2ksi s HIS 28 Ca -0.02 -0.70 -0.23 0.00 -0.15 0.00 0.00 55.06 53.96 2ksi s HIS 28 Cb -0.13 0.80 -0.02 0.00 1.11 0.00 0.00 32.58 34.34 2ksi s HIS 28 CO 0.03 -1.37 0.74 0.08 -0.85 0.00 0.00 174.74 173.37 2ksi s VAL 29 N -2.24 4.93 0.31 -0.90 1.01 -1.26 -4.32 120.40 117.93 2ksi s VAL 29 Ca 0.18 1.40 0.10 0.00 0.00 0.00 0.00 61.98 63.66 2ksi s VAL 29 Cb -0.04 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 2ksi s VAL 29 CO 0.10 0.03 -0.09 -0.31 0.00 0.00 0.00 175.10 174.82 2ksi s TYR 30 N 2.31 2.44 -0.04 5.22 2.02 -1.25 -2.90 117.35 125.15 2ksi s TYR 30 Ca 0.32 -0.38 0.05 0.00 -0.37 0.00 0.00 57.07 56.70 2ksi s TYR 30 Cb -0.16 -1.23 -0.01 0.00 -0.40 0.00 0.00 41.96 40.16 2ksi s TYR 30 CO 0.10 0.61 -0.19 0.21 -1.57 0.00 0.00 175.55 174.71 2ksi s LYS 31 N -3.61 1.92 -0.13 -0.62 2.20 -0.51 -2.58 119.74 116.42 2ksi s LYS 31 Ca 0.32 -0.69 0.00 0.00 -0.36 0.00 0.00 55.97 55.24 2ksi s LYS 31 Cb -0.02 -1.68 0.02 0.00 -1.51 0.00 0.00 37.83 34.64 2ksi s LYS 31 CO 0.17 0.30 -0.12 -0.06 -0.36 0.00 0.00 175.35 175.29 2ksi s PHE 32 N -0.09 1.86 -0.14 4.03 0.08 0.12 -0.11 117.98 123.72 2ksi s PHE 32 Ca -0.02 -0.98 -0.03 0.00 0.12 0.00 0.00 56.93 56.03 2ksi s PHE 32 Cb -0.11 -1.42 -0.03 0.00 -0.57 0.00 0.00 43.02 40.89 2ksi s PHE 32 CO 0.02 -0.57 -0.05 1.03 -0.10 0.00 0.00 175.22 175.55 2ksi s ARG 33 N 1.47 3.55 -0.69 0.44 0.52 -0.45 0.85 118.95 124.65 2ksi s ARG 33 Ca 0.03 -0.54 -0.07 0.00 -0.52 0.00 0.00 55.73 54.62 2ksi s ARG 33 Cb -0.13 -2.85 0.18 0.00 0.52 0.00 0.00 34.95 32.67 2ksi s ARG 33 CO -0.08 0.28 0.55 0.42 0.02 0.00 0.00 175.30 176.49 2ksi s ILE 34 N 0.24 4.43 0.03 1.52 -1.09 -1.10 -1.68 121.20 123.55 2ksi s ILE 34 Ca -0.04 -2.71 -0.20 0.00 -2.23 0.00 0.00 60.65 55.48 2ksi s ILE 34 Cb -0.14 -3.82 -0.06 0.00 -1.58 0.00 0.00 42.46 36.85 2ksi s ILE 34 CO 0.03 -0.93 0.57 0.42 -1.23 0.00 0.00 174.94 173.81 2ksi s THR 35 N 0.11 4.84 -0.53 2.92 -4.23 -1.18 -1.68 115.64 115.89 2ksi s THR 35 Ca 0.16 1.21 -0.09 0.00 -1.18 0.00 0.00 61.69 61.79 2ksi s THR 35 Cb -0.17 -3.90 0.14 0.00 1.34 0.00 0.00 72.50 69.90 2ksi s THR 35 CO -0.05 0.49 0.40 0.00 -0.54 0.00 0.00 174.62 174.92 2ksi s GLN 36 N -0.65 2.59 0.00 3.99 -2.07 -0.06 -3.06 119.66 120.40 2ksi s GLN 36 Ca 0.30 -1.96 0.00 0.00 -1.82 0.00 0.00 55.36 51.87 2ksi s GLN 36 Cb -0.19 -3.94 0.00 0.00 -1.09 0.00 0.00 33.01 27.79 2ksi s GLN 36 CO 0.18 -1.20 0.00 0.41 -1.32 0.00 0.00 175.29 173.36 2ksi n GLY 37 N 4.58 2.34 0.00 2.60 0.00 -1.26 -3.92 105.19 109.54 2ksi n GLY 37 Ca -0.03 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 3.67 -0.02 0.00 -1.26 -5.14 105.19 102.44 2ksi n GLY 38 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.10 2.66 0.60 1.61 1.02 -1.25 -5.02 119.74 119.26 2ksi s LYS 39 Ca 0.00 -0.71 -0.19 0.00 0.02 0.00 0.00 55.97 55.08 2ksi s LYS 39 Cb 0.00 -2.60 -0.03 0.00 -0.52 0.00 0.00 37.83 34.69 2ksi s LYS 39 CO 0.00 0.59 1.27 0.08 -0.92 0.00 0.00 175.35 176.37 2ksi s VAL 40 N -1.16 2.28 0.00 3.17 1.01 -1.26 -0.89 120.40 123.55 2ksi s VAL 40 Ca 0.22 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.38 2ksi s VAL 40 Cb -0.12 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.19 2ksi s VAL 40 CO 0.13 -0.03 0.00 0.55 0.00 0.00 0.00 175.10 175.75 2ksi n VAL 41 N -1.57 0.00 -3.61 2.92 3.14 -0.68 -4.76 118.33 113.76 2ksi n VAL 41 Ca 0.14 -0.06 -0.02 0.00 -2.96 0.00 0.00 64.34 61.44 2ksi n VAL 41 Cb 0.48 0.48 -0.01 0.00 -1.06 0.00 0.00 33.84 33.73 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 -1.36 0.42 0.17 1.45 2.20 -1.23 -5.05 119.74 116.33 2ksi s LYS 42 Ca 0.00 -0.20 0.08 0.00 -0.36 0.00 0.00 55.97 55.49 2ksi s LYS 42 Cb 0.00 0.16 -0.04 0.00 -1.51 0.00 0.00 37.83 36.44 2ksi s LYS 42 CO 0.00 -0.19 -0.05 0.54 -0.36 0.00 0.00 175.35 175.29 2ksi s ASN 43 N -2.62 4.50 0.00 1.43 2.20 -1.26 -2.71 114.94 116.49 2ksi s ASN 43 Ca 0.12 -0.48 0.00 0.00 -0.94 0.00 0.00 52.86 51.56 2ksi s ASN 43 Cb 0.02 -0.86 -0.00 0.00 -2.00 0.00 0.00 41.25 38.40 2ksi s ASN 43 CO -0.04 0.10 -0.01 0.26 -2.94 0.00 0.00 177.10 174.48 2ksi s TRP 44 N -1.67 0.07 0.01 1.54 0.51 0.25 -2.77 118.94 116.88 2ksi s TRP 44 Ca 0.26 -0.12 0.07 0.00 -2.12 0.00 0.00 56.10 54.18 2ksi s TRP 44 Cb -0.09 -0.05 -0.02 0.00 -0.81 0.00 0.00 33.47 32.50 2ksi s TRP 44 CO 0.17 -0.04 -0.21 0.08 -0.51 0.00 0.00 176.95 176.43 2ksi s VAL 45 N -0.34 1.69 -0.53 4.03 1.01 0.82 0.13 120.40 127.22 2ksi s VAL 45 Ca -0.04 -1.03 -0.15 0.00 0.00 0.00 0.00 61.98 60.76 2ksi s VAL 45 Cb -0.02 -1.43 0.12 0.00 0.00 0.00 0.00 36.38 35.05 2ksi s VAL 45 CO -0.00 0.38 0.48 -0.32 0.00 0.00 0.00 175.10 175.63 2ksi s MET 46 N -0.77 2.94 -1.29 2.72 1.75 -1.06 -2.13 119.30 121.47 2ksi s MET 46 Ca 0.08 -1.68 -0.18 0.00 -1.25 0.00 0.00 55.69 52.66 2ksi s MET 46 Cb -0.08 -4.25 0.06 0.00 2.84 0.00 0.00 34.83 33.39 2ksi s MET 46 CO 0.00 -1.29 1.75 -0.51 -0.65 0.00 0.00 175.02 174.32 2ksi s ASP 47 N 3.42 6.70 0.15 1.11 1.11 0.13 -3.96 116.67 125.33 2ksi s ASP 47 Ca 0.03 -2.37 0.23 0.00 0.18 0.00 0.00 52.55 50.62 2ksi s ASP 47 Cb -0.29 -2.58 0.90 0.00 1.07 0.00 0.00 42.92 42.02 2ksi s ASP 47 CO 0.03 -1.31 1.70 0.18 1.18 0.00 0.00 175.17 176.95 2ksi n LEU 48 N 8.84 0.44 -0.07 1.23 7.99 -1.26 -0.48 117.00 133.69 2ksi n LEU 48 Ca 0.48 0.58 -0.12 0.00 -0.01 0.00 0.00 56.01 56.94 2ksi n LEU 48 Cb 0.46 -0.49 -0.10 0.00 -0.11 0.00 0.00 43.42 43.19 2ksi n LEU 48 CO 0.76 -0.31 0.13 0.11 -1.51 0.00 0.00 177.39 176.57 2ksi h LYS 49 N 0.00 0.00 -0.00 3.23 1.57 -1.88 -3.34 116.57 116.15 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 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2ksi h LYS 49 CO 0.00 0.77 -0.22 0.09 -0.57 0.00 0.00 179.45 179.52 2ksi n ASN 50 N -4.61 0.59 -2.22 0.86 3.02 -1.22 -4.95 115.26 106.73 2ksi n ASN 50 Ca -0.12 -0.50 -0.09 0.00 -0.03 0.00 0.00 54.58 53.84 2ksi n ASN 50 Cb 0.41 0.01 0.05 0.00 -0.61 0.00 0.00 39.78 39.64 2ksi n ASN 50 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2ksi n VAL 51 N -1.03 -2.85 -4.07 2.41 0.31 0.17 -5.05 118.33 108.22 2ksi n VAL 51 Ca 0.11 -0.22 -0.10 0.00 -0.01 0.00 0.00 64.34 64.12 2ksi n VAL 51 Cb 0.32 -3.64 -0.07 0.00 -0.91 0.00 0.00 33.84 29.54 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 -4.84 1.43 -0.31 5.55 1.02 0.37 -4.73 119.74 118.23 2ksi s LYS 52 Ca 0.04 -1.39 0.00 0.00 0.02 0.00 0.00 55.97 54.65 2ksi s LYS 52 Cb -0.02 0.40 0.10 0.00 -0.52 0.00 0.00 37.83 37.79 2ksi s LYS 52 CO 0.37 -0.56 0.08 -0.51 -0.92 0.00 0.00 175.35 173.82 2ksi s LEU 53 N -3.07 2.72 0.52 3.17 1.02 -1.26 0.21 118.68 121.98 2ksi s LEU 53 Ca 0.28 -1.71 0.09 0.00 0.02 0.00 0.00 54.13 52.81 2ksi s LEU 53 Cb 0.02 -1.02 0.06 0.00 0.02 0.00 0.00 46.19 45.27 2ksi s LEU 53 CO 0.10 -0.40 0.71 0.68 0.02 0.00 0.00 176.35 177.46 2ksi s VAL 54 N 1.48 2.49 -0.35 -1.59 -7.23 -0.91 -4.94 120.40 109.35 2ksi s VAL 54 Ca 0.09 -0.99 -0.09 0.00 -1.81 0.00 0.00 61.98 59.19 2ksi s VAL 54 Cb -0.18 -2.50 0.03 0.00 0.56 0.00 0.00 36.38 34.29 2ksi s VAL 54 CO -0.21 0.00 0.15 -1.83 -0.31 0.00 0.00 175.10 172.90 2ksi s GLU 55 N -4.55 2.82 0.09 4.82 1.03 -1.26 -0.13 118.70 121.52 2ksi s GLU 55 Ca 0.59 -1.07 -0.26 0.00 0.03 0.00 0.00 54.97 54.26 2ksi s GLU 55 Cb -0.07 -3.58 0.08 0.00 -0.80 0.00 0.00 34.13 29.76 2ksi s GLU 55 CO 0.37 -0.64 0.95 -1.12 -1.33 0.00 0.00 175.26 173.49 2ksi s SER 56 N 1.50 -0.23 -0.14 0.83 0.01 -1.11 -4.83 113.70 109.71 2ksi s SER 56 Ca 0.01 -0.26 -0.00 0.00 1.31 0.00 0.00 55.95 57.01 2ksi s SER 56 Cb -0.19 0.44 0.03 0.00 0.21 0.00 0.00 66.02 66.51 2ksi s SER 56 CO 0.05 -0.78 -0.09 -0.62 0.41 0.00 0.00 173.24 172.21 2ksi s ASP 57 N -2.79 2.57 0.13 2.44 2.15 -1.26 -2.34 116.67 117.58 2ksi s ASP 57 Ca 0.10 -0.49 -0.10 0.00 0.43 0.00 0.00 52.55 52.49 2ksi s ASP 57 Cb -0.01 -0.97 0.00 0.00 -0.30 0.00 0.00 42.92 41.64 2ksi s ASP 57 CO -0.02 -0.12 0.28 -1.81 -0.17 0.00 0.00 175.17 173.32 2ksi s ASP 58 N 1.61 0.02 -0.85 -0.34 1.11 -1.26 -5.08 116.67 111.88 2ksi s ASP 58 Ca 0.03 -0.71 -0.25 0.00 0.18 0.00 0.00 52.55 51.81 2ksi s ASP 58 Cb -0.14 0.41 -0.06 0.00 1.07 0.00 0.00 42.92 44.21 2ksi s ASP 58 CO -0.09 -0.84 2.01 0.00 1.18 0.00 0.00 175.17 177.43 2ksi s ALA 59 N -3.90 1.58 0.29 5.23 0.00 -1.26 -4.91 121.76 118.79 2ksi s ALA 59 Ca 0.11 -1.29 -0.03 0.00 0.00 0.00 0.00 51.96 50.75 2ksi s ALA 59 Cb 0.03 -4.53 -0.04 0.00 0.00 0.00 0.00 23.12 18.58 2ksi s ALA 59 CO -0.06 -4.86 0.52 0.00 0.00 0.00 0.00 175.76 171.37 2ksi s ALA 60 N 10.66 3.68 0.45 0.00 0.00 -1.26 -4.98 121.76 130.31 2ksi s ALA 60 Ca 0.73 -0.71 0.35 0.00 0.00 0.00 0.00 51.96 52.33 2ksi s ALA 60 Cb -0.08 -2.19 1.81 0.00 0.00 0.00 0.00 23.12 22.65 2ksi s ALA 60 CO 0.03 0.20 2.18 1.49 0.00 0.00 0.00 175.76 179.66 2ksi h GLU 61 N 1.47 0.00 -3.40 0.00 4.22 -1.89 -3.40 114.58 111.57 2ksi h GLU 61 Ca -0.48 0.00 -0.34 0.00 0.08 0.00 0.00 59.36 58.62 2ksi h GLU 61 Cb 1.20 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 30.08 2ksi h GLU 61 CO 0.65 0.04 -0.74 0.00 -2.18 0.00 0.00 179.01 176.79 2ksi s ALA 62 N -4.12 0.17 -0.19 2.92 0.00 -1.24 -4.66 121.76 114.64 2ksi s ALA 62 Ca -0.03 0.24 -0.07 0.00 0.00 0.00 0.00 51.96 52.09 2ksi s ALA 62 Cb 0.12 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 2ksi s ALA 62 CO 0.51 -0.33 0.07 0.99 0.00 0.00 0.00 175.76 177.00 2ksi s THR 63 N 1.72 4.72 -0.20 0.00 2.01 0.24 -1.42 115.64 122.70 2ksi s THR 63 Ca -0.01 -0.05 0.01 0.00 0.31 0.00 0.00 61.69 61.95 2ksi s THR 63 Cb -0.12 -3.14 0.04 0.00 0.01 0.00 0.00 72.50 69.29 2ksi s THR 63 CO -0.03 0.44 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.47 2ksi s LEU 64 N 0.59 2.36 -0.16 4.42 1.02 0.84 0.02 118.68 127.77 2ksi s LEU 64 Ca 0.03 -0.92 -0.03 0.00 0.02 0.00 0.00 54.13 53.23 2ksi s LEU 64 Cb -0.13 -1.26 -0.02 0.00 0.02 0.00 0.00 46.19 44.79 2ksi s LEU 64 CO 0.01 -0.14 -0.05 -0.89 0.02 0.00 0.00 176.35 175.29 2ksi s THR 65 N 1.37 3.70 -0.12 5.49 2.01 -0.68 -1.34 115.64 126.08 2ksi s THR 65 Ca -0.02 -0.42 -0.22 0.00 0.31 0.00 0.00 61.69 61.34 2ksi s THR 65 Cb -0.16 -2.62 0.05 0.00 0.01 0.00 0.00 72.50 69.78 2ksi s THR 65 CO -0.08 0.49 0.55 -0.04 -0.69 0.00 0.00 174.62 174.85 2ksi s MET 66 N 0.44 0.78 0.62 4.92 -1.94 -0.68 -3.37 119.30 120.06 2ksi s MET 66 Ca -0.05 0.43 -0.12 0.00 -1.71 0.00 0.00 55.69 54.24 2ksi s MET 66 Cb -0.15 0.37 -0.03 0.00 2.01 0.00 0.00 34.83 37.03 2ksi s MET 66 CO 0.03 -0.17 1.03 -1.21 -0.01 0.00 0.00 175.02 174.69 2ksi s GLU 67 N -0.47 3.49 0.17 2.03 2.02 -1.26 -3.07 118.70 121.60 2ksi s GLU 67 Ca -0.06 0.86 -0.20 0.00 0.02 0.00 0.00 54.97 55.58 2ksi s GLU 67 Cb -0.03 -2.07 0.09 0.00 0.10 0.00 0.00 34.13 32.22 2ksi s GLU 67 CO 0.04 -0.66 1.63 0.22 0.02 0.00 0.00 175.26 176.51 2ksi h ASP 68 N -0.17 -0.77 -1.00 -0.19 3.58 -1.86 0.28 116.42 116.28 2ksi h ASP 68 Ca -0.45 0.16 0.25 0.00 0.42 0.00 0.00 57.03 57.42 2ksi h ASP 68 Cb 1.20 0.39 -0.08 0.00 1.72 0.00 0.00 39.33 42.56 2ksi h ASP 68 CO 0.60 -0.26 0.66 -0.78 -2.88 0.00 0.00 179.24 176.59 2ksi h ASP 69 N -0.17 0.38 1.25 2.28 3.58 -1.93 0.46 116.42 122.27 2ksi h ASP 69 Ca 0.19 0.06 -0.11 0.00 0.42 0.00 0.00 57.03 57.58 2ksi h ASP 69 Cb 0.46 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.48 2ksi h ASP 69 CO -0.48 0.11 -0.79 0.40 -2.88 0.00 0.00 179.24 175.59 2ksi h ILE 70 N 0.36 0.68 0.09 2.25 1.08 -1.11 -3.12 117.51 117.73 2ksi h ILE 70 Ca 0.54 -2.04 0.01 0.00 -0.39 0.00 0.00 64.86 62.98 2ksi h ILE 70 Cb 1.45 2.24 -0.02 0.00 -3.07 0.00 0.00 36.82 37.42 2ksi h ILE 70 CO -0.22 0.39 -0.14 0.24 -0.69 0.00 0.00 178.15 177.72 2ksi h MET 71 N 0.00 -0.27 0.00 2.37 2.86 0.32 0.24 114.93 120.44 2ksi h MET 71 Ca -0.05 0.02 -0.13 0.00 -2.06 0.00 0.00 59.70 57.47 2ksi h MET 71 Cb 1.41 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 33.11 2ksi h MET 71 CO 0.05 -0.18 -0.63 0.27 1.06 0.00 0.00 176.91 177.48 2ksi h PHE 72 N -0.28 0.00 0.63 -0.22 -5.15 -1.63 0.43 116.94 110.71 2ksi h PHE 72 Ca 0.02 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.76 2ksi h PHE 72 Cb 0.30 0.00 0.01 0.00 0.22 0.00 0.00 35.95 36.48 2ksi h PHE 72 CO -0.16 0.63 -0.30 0.00 -2.00 0.00 0.00 178.31 176.48 2ksi h ALA 73 N 1.37 -0.85 -0.22 12.09 0.00 -1.39 -2.55 119.26 127.71 2ksi h ALA 73 Ca -0.01 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 2ksi h ALA 73 Cb 1.18 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 2ksi h ALA 73 CO 0.08 -0.79 -0.34 0.82 0.00 0.00 0.00 179.25 179.03 2ksi h ILE 74 N -1.23 1.32 -0.96 0.00 2.04 -0.64 0.39 117.51 118.43 2ksi h ILE 74 Ca -0.09 -1.54 0.17 0.00 1.00 0.00 0.00 64.86 64.40 2ksi h ILE 74 Cb 0.65 1.77 -0.09 0.00 -0.74 0.00 0.00 36.82 38.42 2ksi h ILE 74 CO 0.14 0.48 0.61 1.23 0.00 0.00 0.00 178.15 180.61 2ksi h GLY 75 N 0.32 1.43 -1.20 5.37 0.00 -1.02 0.28 103.07 108.26 2ksi h GLY 75 Ca 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.03 2ksi h GLY 75 CO 0.08 0.02 0.00 -1.30 0.00 0.00 0.00 176.54 175.34 2ksi n THR 76 N -4.64 0.12 -2.22 4.70 -2.24 -0.96 -4.59 114.28 104.46 2ksi n THR 76 Ca 0.20 -0.41 -0.16 0.00 -2.27 0.00 0.00 64.05 61.41 2ksi n THR 76 Cb 0.54 0.80 -0.01 0.00 -2.10 0.00 0.00 70.33 69.55 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 1.26 -0.10 0.24 3.38 0.00 0.98 -4.73 105.19 106.22 2ksi n GLY 77 Ca 0.17 -0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 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 0.70 0.46 -3.26 4.61 0.00 -0.48 -3.45 119.26 117.84 2ksi h ALA 78 Ca -0.38 -0.53 -0.66 0.00 0.00 0.00 0.00 54.91 53.34 2ksi h ALA 78 Cb 1.26 -0.07 -0.19 0.00 0.00 0.00 0.00 17.79 18.80 2ksi h ALA 78 CO 0.46 0.68 -0.82 -0.51 0.00 0.00 0.00 179.25 179.06 2ksi s LEU 79 N -8.63 2.45 -0.04 0.00 1.43 -1.22 -5.04 118.68 107.62 2ksi s LEU 79 Ca -0.10 -0.84 -0.30 0.00 -1.03 0.00 0.00 54.13 51.85 2ksi s LEU 79 Cb 0.10 -1.20 -0.05 0.00 0.03 0.00 0.00 46.19 45.07 2ksi s LEU 79 CO 0.89 0.13 1.48 -2.16 0.23 0.00 0.00 176.35 176.92 2ksi s PRO 80 N -2.61 4.23 0.53 1.29 0.04 -1.26 -4.68 135.00 132.55 2ksi s PRO 80 Ca 0.20 2.02 0.20 0.00 0.04 0.00 0.00 61.00 63.46 2ksi s PRO 80 Cb -0.08 -3.74 1.40 0.00 0.04 0.00 0.00 34.50 32.12 2ksi s PRO 80 CO 0.10 -0.70 2.16 0.00 0.04 0.00 0.00 177.00 178.60 2ksi h ALA 81 N 8.47 1.81 0.32 8.56 0.00 -1.97 0.90 119.26 137.34 2ksi h ALA 81 Ca -0.37 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 2ksi h ALA 81 Cb 1.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2ksi h ALA 81 CO 0.93 0.03 -0.15 0.87 0.00 0.00 0.00 179.25 180.93 2ksi h LYS 82 N 0.00 -0.41 -0.55 0.00 1.57 -1.99 -2.83 116.57 112.37 2ksi h LYS 82 Ca -0.00 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2ksi h LYS 82 Cb 0.05 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 2ksi h LYS 82 CO 0.00 -0.11 0.27 1.49 -0.57 0.00 0.00 179.45 180.53 2ksi h GLU 83 N -0.99 0.78 -0.36 3.15 4.57 -1.92 0.30 114.58 120.11 2ksi h GLU 83 Ca -0.04 -0.11 0.08 0.00 -1.18 0.00 0.00 59.36 58.10 2ksi h GLU 83 Cb 0.49 -0.14 -0.08 0.00 -0.16 0.00 0.00 28.75 28.86 2ksi h GLU 83 CO 0.07 0.64 -0.18 0.00 -1.18 0.00 0.00 179.01 178.36 2ksi h ALA 84 N 1.10 0.09 0.00 2.92 0.00 -0.92 -0.95 119.26 121.51 2ksi h ALA 84 Ca 0.19 0.13 -0.12 0.00 0.00 0.00 0.00 54.91 55.11 2ksi h ALA 84 Cb 0.11 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2ksi h ALA 84 CO -0.02 -0.55 -0.59 0.52 0.00 0.00 0.00 179.25 178.61 2ksi h MET 85 N -0.12 0.00 -0.36 0.00 2.86 -1.34 -3.18 114.93 112.80 2ksi h MET 85 Ca 0.18 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.88 2ksi h MET 85 Cb 0.39 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 2ksi h MET 85 CO -0.44 0.59 0.24 0.00 1.06 0.00 0.00 176.91 178.37 2ksi h ALA 86 N 1.41 2.04 -0.45 6.32 0.00 0.94 -0.15 119.26 129.37 2ksi h ALA 86 Ca -0.01 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 2ksi h ALA 86 Cb 1.31 -0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.93 2ksi h ALA 86 CO 0.08 -0.11 0.25 1.04 0.00 0.00 0.00 179.25 180.51 2ksi n GLN 87 N -4.48 1.96 -2.50 0.00 6.02 -0.81 -4.84 117.38 112.73 2ksi n GLN 87 Ca 0.04 -1.54 -0.07 0.00 -0.01 0.00 0.00 57.00 55.42 2ksi n GLN 87 Cb 0.26 -1.67 -0.00 0.00 1.02 0.00 0.00 30.24 29.85 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 -0.18 -2.59 -0.91 1.08 9.92 -0.07 -4.76 116.55 119.05 2ksi n ASP 88 Ca 0.26 0.31 0.10 0.00 -0.53 0.00 0.00 54.79 54.94 2ksi n ASP 88 Cb 1.01 -2.27 0.27 0.00 -0.64 0.00 0.00 41.12 39.49 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 -2.69 2.16 -3.73 -1.24 4.76 -1.20 -4.89 118.16 111.33 2ksi n LYS 89 Ca -0.08 -1.78 -0.13 0.00 -2.87 0.00 0.00 58.31 53.45 2ksi n LYS 89 Cb 0.56 -1.43 -0.09 0.00 -1.84 0.00 0.00 35.03 32.22 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 -1.49 0.57 -0.27 1.97 -1.94 -1.26 -4.88 119.30 111.99 2ksi s MET 90 Ca 0.35 0.26 0.02 0.00 -1.71 0.00 0.00 55.69 54.62 2ksi s MET 90 Cb 0.19 0.27 0.06 0.00 2.01 0.00 0.00 34.83 37.36 2ksi s MET 90 CO 0.27 -0.12 -0.08 -1.21 -0.01 0.00 0.00 175.02 173.87 2ksi s GLU 91 N -0.43 2.19 -0.01 2.03 0.41 -1.22 -4.88 118.70 116.80 2ksi s GLU 91 Ca -0.06 -1.40 0.05 0.00 -0.41 0.00 0.00 54.97 53.16 2ksi s GLU 91 Cb -0.03 -2.97 -0.01 0.00 -1.78 0.00 0.00 34.13 29.34 2ksi s GLU 91 CO 0.02 -0.62 -0.15 0.54 -0.49 0.00 0.00 175.26 174.56 2ksi s VAL 92 N 1.10 1.22 -0.17 2.63 0.11 -1.26 -1.68 120.40 122.35 2ksi s VAL 92 Ca -0.06 -0.68 -0.01 0.00 -2.93 0.00 0.00 61.98 58.29 2ksi s VAL 92 Cb -0.20 -1.02 0.05 0.00 -1.53 0.00 0.00 36.38 33.68 2ksi s VAL 92 CO -0.05 0.33 -0.01 -1.81 -3.33 0.00 0.00 175.10 170.22 2ksi s ASP 93 N -0.41 2.74 0.00 3.54 1.01 0.10 -4.99 116.67 118.66 2ksi s ASP 93 Ca 0.06 -0.67 0.00 0.00 0.71 0.00 0.00 52.55 52.65 2ksi s ASP 93 Cb -0.06 -0.75 0.00 0.00 1.01 0.00 0.00 42.92 43.12 2ksi s ASP 93 CO -0.00 -0.23 0.00 0.61 0.21 0.00 0.00 175.17 175.75 2ksi n GLY 94 N 4.96 1.57 3.66 0.21 0.00 -1.26 0.79 105.19 115.13 2ksi n GLY 94 Ca -0.10 -0.96 -0.49 0.00 0.00 0.00 0.00 46.02 44.47 2ksi n GLY 94 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2ksi n GLN 95 N -0.63 1.97 -0.30 1.61 -0.06 -1.26 -4.84 117.38 113.87 2ksi n GLN 95 Ca 0.00 0.70 0.03 0.00 -2.00 0.00 0.00 57.00 55.73 2ksi n GLN 95 Cb 0.00 -2.61 0.10 0.00 -4.06 0.00 0.00 30.24 23.67 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 5.69 0.16 -0.16 1.69 2.07 -1.99 0.13 116.25 123.84 2ksi h VAL 96 Ca -0.46 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.10 2ksi h VAL 96 Cb 1.28 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 2ksi h VAL 96 CO 0.96 0.00 -0.06 -0.33 0.02 0.00 0.00 177.57 178.16 2ksi h GLU 97 N -0.00 -0.03 -0.40 1.57 4.39 -1.97 0.19 114.58 118.33 2ksi h GLU 97 Ca 0.40 0.00 0.08 0.00 0.34 0.00 0.00 59.36 60.18 2ksi h GLU 97 Cb 0.61 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 29.18 2ksi h GLU 97 CO -0.86 -0.02 -0.31 -0.07 -1.16 0.00 0.00 179.01 176.58 2ksi h LEU 98 N -0.04 -1.03 -1.42 1.33 3.38 -1.13 0.25 115.31 116.65 2ksi h LEU 98 Ca 0.09 0.19 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 2ksi h LEU 98 Cb 0.17 0.49 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2ksi h LEU 98 CO -0.19 -0.31 -0.19 0.16 0.09 0.00 0.00 178.44 178.00 2ksi h ILE 99 N -0.24 0.56 0.00 1.22 3.07 -1.06 -2.25 117.51 118.81 2ksi h ILE 99 Ca 0.18 -0.91 0.00 0.00 1.55 0.00 0.00 64.86 65.68 2ksi h ILE 99 Cb 0.53 1.61 0.00 0.00 -0.27 0.00 0.00 36.82 38.69 2ksi h ILE 99 CO -0.53 0.19 0.00 -0.26 -1.05 0.00 0.00 178.15 176.49 2ksi h PHE 100 N 0.00 0.00 0.00 0.16 0.04 0.26 -3.04 116.94 114.37 2ksi h PHE 100 Ca -0.00 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.57 2ksi h PHE 100 Cb 0.59 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.73 2ksi h PHE 100 CO 0.00 0.00 -0.87 -0.07 -0.60 0.00 0.00 178.31 176.77 2ksi h LEU 101 N 0.00 0.24 0.00 1.54 3.38 -0.42 -3.11 115.31 116.94 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 0.58 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2ksi h LEU 101 CO 0.00 0.99 -0.29 0.18 0.09 0.00 0.00 178.44 179.42 2ksi n LEU 102 N -3.66 0.48 0.21 1.67 4.32 -1.15 -4.00 117.00 114.86 2ksi n LEU 102 Ca -0.03 0.32 -0.15 0.00 -0.02 0.00 0.00 56.01 56.13 2ksi n LEU 102 Cb 0.80 -0.32 -0.08 0.00 -1.62 0.00 0.00 43.42 42.21 2ksi n LEU 102 CO 0.47 -0.02 0.75 -0.33 -1.22 0.00 0.00 177.39 177.05 2ksi h GLU 103 N 0.00 -0.45 0.00 3.23 5.08 -1.49 -1.40 114.58 119.54 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 0.61 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2ksi h GLU 103 CO 0.00 -0.30 0.00 -0.35 -1.00 0.00 0.00 179.01 177.36 2ksi n PRO 104 N -5.30 0.04 0.03 2.33 -0.04 -1.26 -2.06 135.00 128.74 2ksi n PRO 104 Ca -0.10 0.24 0.11 0.00 -0.04 0.00 0.00 63.50 63.70 2ksi n PRO 104 Cb 0.21 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.11 2ksi n PRO 104 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2ksi n PHE 105 N -1.46 0.30 -0.21 0.54 3.72 -0.82 -4.29 117.46 115.23 2ksi n PHE 105 Ca 0.04 0.09 -0.02 0.00 -0.05 0.00 0.00 57.45 57.51 2ksi n PHE 105 Cb 0.16 -0.53 0.09 0.00 -0.94 0.00 0.00 39.48 38.25 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 0.94 -0.84 4.37 2.04 -0.69 -1.53 117.51 121.80 2ksi h ILE 106 Ca 0.00 -0.21 0.08 0.00 1.00 0.00 0.00 64.86 65.73 2ksi h ILE 106 Cb 0.86 0.27 -0.06 0.00 -0.74 0.00 0.00 36.82 37.16 2ksi h ILE 106 CO 0.00 0.11 0.55 0.00 0.00 0.00 0.00 178.15 178.81 2ksi h ALA 107 N 1.34 1.65 -0.69 1.87 0.00 -1.75 -0.68 119.26 121.00 2ksi h ALA 107 Ca 0.28 -0.01 0.20 0.00 0.00 0.00 0.00 54.91 55.38 2ksi h ALA 107 Cb 0.20 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2ksi h ALA 107 CO -0.19 0.20 0.62 0.77 0.00 0.00 0.00 179.25 180.64 2ksi h SER 108 N 0.86 0.00 -3.67 0.00 0.02 -1.51 -3.41 113.55 105.84 2ksi h SER 108 Ca 0.38 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.87 2ksi h SER 108 Cb 0.33 0.00 0.07 0.00 0.14 0.00 0.00 62.40 62.95 2ksi h SER 108 CO -0.15 0.00 0.21 -0.76 -1.14 0.00 0.00 176.83 174.99 2ksi s LEU 109 N -7.74 2.89 0.00 5.07 1.43 -0.26 -5.04 118.68 115.02 2ksi s LEU 109 Ca -0.04 0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.51 2ksi s LEU 109 Cb 0.18 -3.13 0.00 0.00 0.03 0.00 0.00 46.19 43.26 2ksi s LEU 109 CO 0.63 -1.52 0.15 0.29 0.23 0.00 0.00 176.35 176.14