#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 6.77 0.46 6.12 1.04 -1.26 -5.10 113.70 121.74 2ksi s SER 2 Ca 0.00 0.94 0.05 0.00 0.48 0.00 0.00 55.95 57.42 2ksi s SER 2 Cb 0.00 -2.24 -0.04 0.00 0.10 0.00 0.00 66.02 63.84 2ksi s SER 2 CO 0.00 0.24 0.06 -0.76 0.98 0.00 0.00 173.24 173.76 2ksi s LEU 3 N -1.47 2.67 0.03 2.42 1.43 -1.26 -5.05 118.68 117.45 2ksi s LEU 3 Ca 0.29 -1.43 -0.29 0.00 -1.03 0.00 0.00 54.13 51.67 2ksi s LEU 3 Cb -0.16 -0.94 -0.16 0.00 0.03 0.00 0.00 46.19 44.96 2ksi s LEU 3 CO 0.16 -0.67 1.25 0.11 0.23 0.00 0.00 176.35 177.43 2ksi h LYS 4 N 1.48 -1.02 -1.46 1.70 1.57 -1.98 -2.84 116.57 114.01 2ksi h LYS 4 Ca -0.43 0.07 0.42 0.00 -1.87 0.00 0.00 60.65 58.84 2ksi h LYS 4 Cb 1.28 0.23 -0.06 0.00 0.08 0.00 0.00 32.23 33.75 2ksi h LYS 4 CO 0.75 -0.68 1.04 0.77 -0.57 0.00 0.00 179.45 180.77 2ksi h SER 5 N -1.23 0.02 -0.28 0.86 0.02 -1.93 0.21 113.55 111.21 2ksi h SER 5 Ca -0.11 0.01 0.06 0.00 -0.84 0.00 0.00 61.79 60.91 2ksi h SER 5 Cb 0.81 0.01 -0.06 0.00 0.14 0.00 0.00 62.40 63.30 2ksi h SER 5 CO 0.18 -0.01 -0.08 -0.78 -1.14 0.00 0.00 176.83 175.00 2ksi h ASP 6 N 0.02 -0.30 -0.97 3.07 3.58 -1.88 -0.89 116.42 119.05 2ksi h ASP 6 Ca 0.71 0.09 0.22 0.00 0.42 0.00 0.00 57.03 58.47 2ksi h ASP 6 Cb 2.78 0.19 -0.08 0.00 1.72 0.00 0.00 39.33 43.93 2ksi h ASP 6 CO -0.03 -0.11 0.63 -0.08 -2.88 0.00 0.00 179.24 176.76 2ksi h GLU 7 N -0.02 0.47 0.60 0.28 4.57 -0.65 -2.09 114.58 117.74 2ksi h GLU 7 Ca 0.14 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.27 2ksi h GLU 7 Cb 0.23 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 2ksi h GLU 7 CO -0.30 0.31 -0.46 0.28 -1.18 0.00 0.00 179.01 177.66 2ksi h VAL 8 N 0.48 0.00 -0.68 0.32 2.07 -1.22 0.30 116.25 117.51 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 1.22 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.88 2ksi h VAL 8 CO -0.25 0.00 0.07 -0.26 0.02 0.00 0.00 177.57 177.15 2ksi h PHE 9 N -1.02 0.08 -0.40 1.57 0.04 -1.31 0.10 116.94 116.01 2ksi h PHE 9 Ca -0.08 0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 2ksi h PHE 9 Cb 0.84 0.07 -0.02 0.00 2.20 0.00 0.00 35.95 39.05 2ksi h PHE 9 CO -0.16 -0.14 0.18 0.00 -0.60 0.00 0.00 178.31 177.59 2ksi h ALA 10 N 1.60 0.51 -0.07 2.45 0.00 -1.22 -2.13 119.26 120.41 2ksi h ALA 10 Ca 0.37 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.19 2ksi h ALA 10 Cb 0.62 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2ksi h ALA 10 CO -0.54 0.09 -0.10 0.87 0.00 0.00 0.00 179.25 179.57 2ksi h LYS 11 N 0.50 -0.14 0.31 0.00 1.57 0.12 0.12 116.57 119.04 2ksi h LYS 11 Ca 0.13 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2ksi h LYS 11 Cb 0.15 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 2ksi h LYS 11 CO -0.01 -0.09 -0.37 0.82 -0.57 0.00 0.00 179.45 179.22 2ksi h ILE 12 N -0.15 0.25 -0.08 1.86 2.04 -0.95 -0.69 117.51 119.80 2ksi h ILE 12 Ca 0.06 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.96 2ksi h ILE 12 Cb 0.23 0.25 -0.05 0.00 -0.74 0.00 0.00 36.82 36.51 2ksi h ILE 12 CO -0.15 0.00 -0.21 0.00 0.00 0.00 0.00 178.15 177.79 2ksi h ALA 13 N -0.25 -0.21 -0.27 1.87 0.00 -1.23 0.16 119.26 119.34 2ksi h ALA 13 Ca -0.01 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.00 2ksi h ALA 13 Cb 0.67 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2ksi h ALA 13 CO -0.10 -0.68 0.29 -0.22 0.00 0.00 0.00 179.25 178.54 2ksi h LYS 14 N -0.29 0.00 0.03 0.00 3.11 -0.58 0.12 116.57 118.97 2ksi h LYS 14 Ca 0.08 0.00 -0.22 0.00 -2.81 0.00 0.00 60.65 57.70 2ksi h LYS 14 Cb 0.41 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.63 2ksi h LYS 14 CO -0.25 0.00 -0.98 -0.09 -2.81 0.00 0.00 179.45 175.32 2ksi h ARG 15 N 0.00 0.21 -0.47 1.90 1.12 0.59 -3.27 114.38 114.46 2ksi h ARG 15 Ca 0.13 -0.27 -0.12 0.00 -1.11 0.00 0.00 59.98 58.61 2ksi h ARG 15 Cb 0.70 0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.73 2ksi h ARG 15 CO -0.00 1.03 -0.18 -0.07 -3.11 0.00 0.00 179.97 177.64 2ksi h LEU 16 N 0.10 0.95 -2.31 3.80 3.38 0.09 -2.49 115.31 118.83 2ksi h LEU 16 Ca -0.06 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2ksi h LEU 16 Cb 1.65 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.14 2ksi h LEU 16 CO 0.15 1.11 0.00 -0.33 0.09 0.00 0.00 178.44 179.46 2ksi h GLU 17 N 0.82 0.00 0.02 1.13 5.08 -1.51 -2.57 114.58 117.55 2ksi h GLU 17 Ca 0.12 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2ksi h GLU 17 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2ksi h GLU 17 CO 0.06 0.00 -0.01 1.03 -1.00 0.00 0.00 179.01 179.09 2ksi h SER 18 N 0.00 -0.02 -0.74 1.42 0.87 -1.52 -3.43 113.55 110.12 2ksi h SER 18 Ca 0.00 -0.68 -0.58 0.00 -1.23 0.00 0.00 61.79 59.29 2ksi h SER 18 Cb 0.07 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.00 2ksi h SER 18 CO 0.00 0.70 1.56 -0.38 -0.53 0.00 0.00 176.83 178.18 2ksi n ILE 19 N -4.75 0.05 -1.72 2.23 -0.00 -0.97 -4.86 119.36 109.34 2ksi n ILE 19 Ca -0.09 -0.27 -0.39 0.00 -0.00 0.00 0.00 62.75 62.00 2ksi n ILE 19 Cb 0.35 -1.42 0.03 0.00 -0.00 0.00 0.00 39.64 38.60 2ksi n ILE 19 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 2ksi n ASP 20 N 11.15 2.51 0.21 4.38 9.92 -1.26 -4.89 116.55 138.57 2ksi n ASP 20 Ca 0.50 1.02 0.15 0.00 -0.53 0.00 0.00 54.79 55.93 2ksi n ASP 20 Cb 0.21 -1.53 0.61 0.00 -0.64 0.00 0.00 41.12 39.77 2ksi n ASP 20 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2ksi h PRO 21 N 1.67 0.00 0.00 -0.24 0.13 -1.95 -2.57 132.00 129.04 2ksi h PRO 21 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2ksi h PRO 21 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2ksi h PRO 21 CO 0.58 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.35 2ksi n ALA 22 N -1.94 2.17 -3.15 -0.56 0.00 -1.26 -4.52 120.51 111.25 2ksi n ALA 22 Ca 0.01 -0.11 0.04 0.00 0.00 0.00 0.00 53.44 53.39 2ksi n ALA 22 Cb 0.26 -1.37 -0.01 0.00 0.00 0.00 0.00 19.45 18.34 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 -2.54 -1.20 0.53 0.00 2.47 -0.97 -5.17 114.94 108.06 2ksi s ASN 23 Ca 0.22 0.38 0.05 0.00 0.42 0.00 0.00 52.86 53.93 2ksi s ASN 23 Cb 0.15 1.86 0.05 0.00 -1.45 0.00 0.00 41.25 41.86 2ksi s ASN 23 CO 0.34 -0.22 0.41 0.54 -3.72 0.00 0.00 177.10 174.45 2ksi n ARG 24 N 5.38 0.71 0.00 0.43 5.12 -1.26 -4.39 116.66 122.64 2ksi n ARG 24 Ca 0.02 -3.29 0.00 0.00 -1.93 0.00 0.00 57.85 52.66 2ksi n ARG 24 Cb 0.54 0.32 0.00 0.00 -1.16 0.00 0.00 32.46 32.16 2ksi n ARG 24 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2ksi n GLN 25 N -1.76 0.00 -3.63 5.56 3.00 -1.26 -5.08 117.38 114.21 2ksi n GLN 25 Ca -0.01 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.73 2ksi n GLN 25 Cb 0.60 -0.00 -0.17 0.00 0.00 0.00 0.00 30.24 30.67 2ksi n GLN 25 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2ksi s VAL 26 N -0.01 -0.08 -0.21 5.09 1.01 -1.26 -5.13 120.40 119.81 2ksi s VAL 26 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 61.98 61.89 2ksi s VAL 26 Cb 0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 2ksi s VAL 26 CO 0.00 -0.16 0.07 -1.61 0.00 0.00 0.00 175.10 173.41 2ksi s GLU 27 N 2.14 3.89 0.12 2.72 8.01 -1.26 -5.04 118.70 129.29 2ksi s GLU 27 Ca 0.03 -0.38 -0.26 0.00 0.01 0.00 0.00 54.97 54.37 2ksi s GLU 27 Cb -0.15 -3.27 0.07 0.00 -4.31 0.00 0.00 34.13 26.47 2ksi s GLU 27 CO -0.07 0.13 0.99 -3.38 0.01 0.00 0.00 175.26 172.93 2ksi s HIS 28 N 0.78 -0.14 -0.13 1.61 -3.43 -1.26 -5.01 115.29 107.71 2ksi s HIS 28 Ca 0.04 -0.14 -0.23 0.00 -0.80 0.00 0.00 55.06 53.93 2ksi s HIS 28 Cb -0.13 0.62 -0.03 0.00 -1.43 0.00 0.00 32.58 31.61 2ksi s HIS 28 CO 0.02 -0.75 0.71 0.08 -2.00 0.00 0.00 174.74 172.80 2ksi s VAL 29 N -3.18 5.00 0.46 -5.38 1.01 -1.26 -3.68 120.40 113.37 2ksi s VAL 29 Ca 0.12 1.41 0.06 0.00 0.00 0.00 0.00 61.98 63.57 2ksi s VAL 29 Cb -0.01 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 2ksi s VAL 29 CO 0.01 0.16 0.23 -0.31 0.00 0.00 0.00 175.10 175.19 2ksi s TYR 30 N 1.45 2.29 -0.02 5.22 1.51 -1.08 -2.52 117.35 124.20 2ksi s TYR 30 Ca 0.35 -0.68 0.00 0.00 -1.01 0.00 0.00 57.07 55.73 2ksi s TYR 30 Cb -0.17 -1.93 0.02 0.00 -0.11 0.00 0.00 41.96 39.77 2ksi s TYR 30 CO 0.14 -0.00 -0.00 0.21 -1.11 0.00 0.00 175.55 174.79 2ksi s LYS 31 N -4.02 0.21 -0.09 -0.62 2.20 -0.78 -2.63 119.74 114.02 2ksi s LYS 31 Ca 0.36 0.03 0.02 0.00 -0.36 0.00 0.00 55.97 56.02 2ksi s LYS 31 Cb 0.02 -0.33 0.01 0.00 -1.51 0.00 0.00 37.83 36.02 2ksi s LYS 31 CO 0.20 -0.07 -0.15 -0.06 -0.36 0.00 0.00 175.35 174.91 2ksi s PHE 32 N 0.61 1.85 -0.09 4.03 0.08 0.13 -0.42 117.98 124.16 2ksi s PHE 32 Ca -0.06 -0.78 0.01 0.00 0.12 0.00 0.00 56.93 56.23 2ksi s PHE 32 Cb -0.09 -1.32 -0.02 0.00 -0.57 0.00 0.00 43.02 41.02 2ksi s PHE 32 CO -0.01 -0.38 -0.12 0.50 -0.10 0.00 0.00 175.22 175.11 2ksi s ARG 33 N 0.76 2.95 -0.35 0.44 3.52 -0.85 0.12 118.95 125.54 2ksi s ARG 33 Ca -0.12 -0.66 -0.02 0.00 -0.13 0.00 0.00 55.73 54.81 2ksi s ARG 33 Cb -0.16 -2.54 0.08 0.00 -1.56 0.00 0.00 34.95 30.77 2ksi s ARG 33 CO 0.02 0.45 0.09 0.42 -0.81 0.00 0.00 175.30 175.48 2ksi s ILE 34 N -0.27 3.09 -0.13 4.11 -1.09 -1.08 -0.95 121.20 124.89 2ksi s ILE 34 Ca 0.02 -1.72 -0.07 0.00 -2.23 0.00 0.00 60.65 56.65 2ksi s ILE 34 Cb -0.13 -2.96 -0.04 0.00 -1.58 0.00 0.00 42.46 37.75 2ksi s ILE 34 CO 0.03 -0.39 0.13 0.42 -1.23 0.00 0.00 174.94 173.89 2ksi s THR 35 N 1.19 5.38 -0.44 2.92 -4.23 -1.21 0.22 115.64 119.47 2ksi s THR 35 Ca 0.02 0.16 -0.02 0.00 -1.18 0.00 0.00 61.69 60.67 2ksi s THR 35 Cb -0.21 -3.35 0.12 0.00 1.34 0.00 0.00 72.50 70.40 2ksi s THR 35 CO -0.03 0.59 0.22 0.00 -0.54 0.00 0.00 174.62 174.87 2ksi s GLN 36 N -0.82 2.03 0.00 3.99 -2.07 0.40 -4.04 119.66 119.14 2ksi s GLN 36 Ca 0.14 -1.96 0.00 0.00 -1.82 0.00 0.00 55.36 51.71 2ksi s GLN 36 Cb -0.12 -3.56 0.00 0.00 -1.09 0.00 0.00 33.01 28.25 2ksi s GLN 36 CO 0.03 -1.08 0.00 0.41 -1.32 0.00 0.00 175.29 173.34 2ksi n GLY 37 N 4.34 2.36 0.00 2.60 0.00 -1.26 -3.98 105.19 109.25 2ksi n GLY 37 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 0.57 3.12 -0.02 0.00 -1.26 -5.15 105.19 102.46 2ksi n GLY 38 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.70 0.50 1.61 1.02 -1.26 -5.11 119.74 117.21 2ksi s LYS 39 Ca 0.00 -1.09 -0.22 0.00 0.02 0.00 0.00 55.97 54.68 2ksi s LYS 39 Cb 0.00 -0.25 -0.06 0.00 -0.52 0.00 0.00 37.83 37.00 2ksi s LYS 39 CO 0.00 0.01 1.24 0.54 -0.92 0.00 0.00 175.35 176.23 2ksi s VAL 40 N -2.65 2.68 0.00 3.17 0.11 -1.26 -0.45 120.40 121.99 2ksi s VAL 40 Ca 0.02 0.51 0.00 0.00 -2.93 0.00 0.00 61.98 59.58 2ksi s VAL 40 Cb -0.01 -3.25 0.00 0.00 -1.53 0.00 0.00 36.38 31.58 2ksi s VAL 40 CO -0.03 -0.01 0.00 0.55 -3.33 0.00 0.00 175.10 172.28 2ksi n VAL 41 N -0.75 0.00 -3.61 2.04 3.14 0.13 -4.76 118.33 114.52 2ksi n VAL 41 Ca 0.09 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.45 2ksi n VAL 41 Cb 0.47 0.36 -0.01 0.00 -1.06 0.00 0.00 33.84 33.60 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 -1.94 0.45 0.13 1.45 2.20 -1.19 -5.04 119.74 115.80 2ksi s LYS 42 Ca 0.00 -0.22 0.07 0.00 -0.36 0.00 0.00 55.97 55.46 2ksi s LYS 42 Cb 0.00 0.18 -0.04 0.00 -1.51 0.00 0.00 37.83 36.46 2ksi s LYS 42 CO 0.00 -0.20 -0.07 0.54 -0.36 0.00 0.00 175.35 175.26 2ksi s ASN 43 N -2.60 4.53 0.04 1.43 2.20 -1.26 -2.62 114.94 116.66 2ksi s ASN 43 Ca 0.11 -0.39 -0.01 0.00 -0.94 0.00 0.00 52.86 51.64 2ksi s ASN 43 Cb 0.01 -0.90 -0.04 0.00 -2.00 0.00 0.00 41.25 38.33 2ksi s ASN 43 CO -0.04 0.15 -0.03 0.26 -2.94 0.00 0.00 177.10 174.50 2ksi s TRP 44 N -1.39 0.47 -0.08 1.54 0.51 0.34 -2.77 118.94 117.55 2ksi s TRP 44 Ca 0.24 -0.94 -0.06 0.00 -2.12 0.00 0.00 56.10 53.22 2ksi s TRP 44 Cb -0.11 -0.35 0.02 0.00 -0.81 0.00 0.00 33.47 32.23 2ksi s TRP 44 CO 0.15 -0.33 0.20 0.54 -0.51 0.00 0.00 176.95 177.00 2ksi s VAL 45 N -3.31 -0.01 -0.33 4.03 0.11 -0.39 0.19 120.40 120.69 2ksi s VAL 45 Ca 0.02 0.02 -0.13 0.00 -2.93 0.00 0.00 61.98 58.95 2ksi s VAL 45 Cb 0.04 -0.29 -0.02 0.00 -1.53 0.00 0.00 36.38 34.58 2ksi s VAL 45 CO -0.08 0.01 0.27 -0.32 -3.33 0.00 0.00 175.10 171.66 2ksi s MET 46 N 0.26 3.62 -0.99 1.54 1.75 -1.08 -2.20 119.30 122.20 2ksi s MET 46 Ca -0.01 -0.49 -0.16 0.00 -1.25 0.00 0.00 55.69 53.78 2ksi s MET 46 Cb -0.03 -3.77 0.17 0.00 2.84 0.00 0.00 34.83 34.04 2ksi s MET 46 CO -0.01 -0.41 1.13 0.34 -0.65 0.00 0.00 175.02 175.42 2ksi s ASP 47 N 1.73 6.81 0.00 1.11 -1.08 -0.78 -2.63 116.67 121.83 2ksi s ASP 47 Ca 0.08 -2.50 0.19 0.00 -0.52 0.00 0.00 52.55 49.80 2ksi s ASP 47 Cb -0.17 -2.35 0.92 0.00 -1.46 0.00 0.00 42.92 39.86 2ksi s ASP 47 CO 0.11 -0.84 1.57 0.18 0.52 0.00 0.00 175.17 176.71 2ksi n LEU 48 N 5.58 0.00 -0.07 -1.34 7.99 -1.24 -1.38 117.00 126.54 2ksi n LEU 48 Ca 0.25 0.31 -0.11 0.00 -0.01 0.00 0.00 56.01 56.45 2ksi n LEU 48 Cb 0.46 -0.31 -0.08 0.00 -0.11 0.00 0.00 43.42 43.39 2ksi n LEU 48 CO 0.50 -0.12 -0.05 0.50 -1.51 0.00 0.00 177.39 176.71 2ksi h LYS 49 N 0.00 0.00 -0.00 3.23 3.64 -1.88 -3.36 116.57 118.21 2ksi h LYS 49 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2ksi h LYS 49 Cb 0.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2ksi h LYS 49 CO 0.00 0.60 -0.16 0.09 -2.27 0.00 0.00 179.45 177.71 2ksi n ASN 50 N -4.61 0.26 -2.26 4.20 4.13 -1.20 -4.93 115.26 110.84 2ksi n ASN 50 Ca -0.13 -0.02 -0.13 0.00 1.68 0.00 0.00 54.58 55.98 2ksi n ASN 50 Cb 0.38 -0.17 0.05 0.00 -1.54 0.00 0.00 39.78 38.49 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 -1.34 -1.88 -3.77 2.41 0.31 -0.48 -5.03 118.33 108.55 2ksi n VAL 51 Ca 0.09 -0.03 -0.11 0.00 -0.01 0.00 0.00 64.34 64.28 2ksi n VAL 51 Cb 0.32 -3.02 -0.07 0.00 -0.91 0.00 0.00 33.84 30.16 2ksi n VAL 51 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 2ksi s LYS 52 N -5.64 0.84 -0.11 5.55 -2.85 -0.89 -4.43 119.74 112.21 2ksi s LYS 52 Ca 0.30 -0.65 -0.05 0.00 -1.00 0.00 0.00 55.97 54.56 2ksi s LYS 52 Cb -0.13 0.36 -0.04 0.00 -2.06 0.00 0.00 37.83 35.96 2ksi s LYS 52 CO 0.41 -0.28 0.08 -0.51 0.10 0.00 0.00 175.35 175.16 2ksi s LEU 53 N -2.35 4.06 0.08 2.77 1.02 -1.26 -1.87 118.68 121.12 2ksi s LEU 53 Ca -0.02 0.33 0.01 0.00 0.02 0.00 0.00 54.13 54.48 2ksi s LEU 53 Cb 0.01 -1.97 -0.04 0.00 0.02 0.00 0.00 46.19 44.21 2ksi s LEU 53 CO -0.06 0.39 -0.06 0.68 0.02 0.00 0.00 176.35 177.31 2ksi s VAL 54 N -0.91 0.57 -0.56 -1.59 -7.23 -0.93 -4.97 120.40 104.78 2ksi s VAL 54 Ca 0.14 -1.73 -0.19 0.00 -1.81 0.00 0.00 61.98 58.39 2ksi s VAL 54 Cb -0.12 -1.41 0.09 0.00 0.56 0.00 0.00 36.38 35.50 2ksi s VAL 54 CO 0.03 -0.79 0.68 -1.61 -0.31 0.00 0.00 175.10 173.10 2ksi s GLU 55 N -3.36 3.07 0.05 4.82 8.01 -1.26 -1.27 118.70 128.77 2ksi s GLU 55 Ca 0.06 -1.16 -0.28 0.00 0.01 0.00 0.00 54.97 53.60 2ksi s GLU 55 Cb 0.02 -4.21 0.09 0.00 -4.31 0.00 0.00 34.13 25.73 2ksi s GLU 55 CO -0.05 -1.43 0.96 -1.12 0.01 0.00 0.00 175.26 173.63 2ksi s SER 56 N 3.30 -0.26 -0.18 -0.19 0.01 -1.12 -4.89 113.70 110.38 2ksi s SER 56 Ca 0.13 -0.17 0.01 0.00 1.31 0.00 0.00 55.95 57.22 2ksi s SER 56 Cb -0.22 0.40 0.03 0.00 0.21 0.00 0.00 66.02 66.44 2ksi s SER 56 CO 0.08 -0.70 -0.14 -0.62 0.41 0.00 0.00 173.24 172.28 2ksi s ASP 57 N -2.69 3.12 0.06 2.44 2.15 -1.26 -2.27 116.67 118.22 2ksi s ASP 57 Ca 0.09 -0.71 -0.06 0.00 0.43 0.00 0.00 52.55 52.30 2ksi s ASP 57 Cb -0.01 -1.28 -0.02 0.00 -0.30 0.00 0.00 42.92 41.32 2ksi s ASP 57 CO -0.04 -0.08 0.10 -1.81 -0.17 0.00 0.00 175.17 173.17 2ksi s ASP 58 N 1.40 0.25 -0.74 -0.34 1.11 -1.26 -5.07 116.67 112.01 2ksi s ASP 58 Ca 0.02 -0.73 -0.25 0.00 0.18 0.00 0.00 52.55 51.77 2ksi s ASP 58 Cb -0.14 0.27 -0.14 0.00 1.07 0.00 0.00 42.92 43.97 2ksi s ASP 58 CO -0.10 -0.64 2.41 0.00 1.18 0.00 0.00 175.17 178.02 2ksi n ALA 59 N 0.18 0.53 -2.77 5.23 0.00 -1.26 -4.86 120.51 117.56 2ksi n ALA 59 Ca -0.16 -1.16 -0.35 0.00 0.00 0.00 0.00 53.44 51.78 2ksi n ALA 59 Cb 0.61 -3.13 -0.05 0.00 0.00 0.00 0.00 19.45 16.87 2ksi n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ksi s ALA 60 N 12.44 3.86 -0.00 0.00 0.00 -1.26 -4.97 121.76 131.83 2ksi s ALA 60 Ca 1.00 -0.59 0.30 0.00 0.00 0.00 0.00 51.96 52.67 2ksi s ALA 60 Cb -0.27 -2.05 1.47 0.00 0.00 0.00 0.00 23.12 22.28 2ksi s ALA 60 CO 0.20 0.66 1.90 0.93 0.00 0.00 0.00 175.76 179.45 2ksi h GLU 61 N 3.99 0.00 -3.06 0.00 3.07 -1.84 -3.40 114.58 113.33 2ksi h GLU 61 Ca -0.50 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 58.12 2ksi h GLU 61 Cb 1.20 0.00 -0.33 0.00 -0.84 0.00 0.00 28.75 28.78 2ksi h GLU 61 CO 0.66 0.00 -0.57 0.00 -1.40 0.00 0.00 179.01 177.70 2ksi s ALA 62 N -3.66 -0.35 -0.17 3.43 0.00 -1.26 -4.50 121.76 115.26 2ksi s ALA 62 Ca -0.01 0.76 -0.05 0.00 0.00 0.00 0.00 51.96 52.66 2ksi s ALA 62 Cb 0.09 -0.74 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 2ksi s ALA 62 CO 0.35 -0.41 0.01 0.99 0.00 0.00 0.00 175.76 176.70 2ksi s THR 63 N 1.85 4.33 -0.25 0.00 2.01 0.21 -1.86 115.64 121.93 2ksi s THR 63 Ca -0.03 -0.20 -0.00 0.00 0.31 0.00 0.00 61.69 61.77 2ksi s THR 63 Cb -0.12 -2.92 0.07 0.00 0.01 0.00 0.00 72.50 69.54 2ksi s THR 63 CO -0.07 0.48 0.01 -0.76 -0.69 0.00 0.00 174.62 173.59 2ksi s LEU 64 N 0.32 2.41 -0.14 4.42 1.02 0.44 -1.24 118.68 125.92 2ksi s LEU 64 Ca -0.00 -1.29 -0.10 0.00 0.02 0.00 0.00 54.13 52.76 2ksi s LEU 64 Cb -0.13 -1.03 -0.05 0.00 0.02 0.00 0.00 46.19 45.00 2ksi s LEU 64 CO 0.02 -0.30 0.19 0.28 0.02 0.00 0.00 176.35 176.56 2ksi s THR 65 N 1.49 5.39 -0.00 5.49 -1.32 -1.22 -2.01 115.64 123.45 2ksi s THR 65 Ca -0.00 0.33 -0.29 0.00 -1.21 0.00 0.00 61.69 60.52 2ksi s THR 65 Cb -0.18 -3.50 0.07 0.00 -1.51 0.00 0.00 72.50 67.38 2ksi s THR 65 CO -0.11 0.51 0.66 -0.04 -2.21 0.00 0.00 174.62 173.43 2ksi s MET 66 N -0.24 1.11 0.52 7.08 -1.94 -0.13 -4.34 119.30 121.36 2ksi s MET 66 Ca 0.14 0.09 -0.09 0.00 -1.71 0.00 0.00 55.69 54.11 2ksi s MET 66 Cb -0.12 0.52 -0.05 0.00 2.01 0.00 0.00 34.83 37.19 2ksi s MET 66 CO 0.03 -0.38 0.89 -1.21 -0.01 0.00 0.00 175.02 174.34 2ksi s GLU 67 N -1.77 3.64 0.14 2.03 2.02 -1.26 -3.29 118.70 120.21 2ksi s GLU 67 Ca -0.08 0.52 -0.31 0.00 0.02 0.00 0.00 54.97 55.12 2ksi s GLU 67 Cb -0.00 -2.25 -0.07 0.00 0.10 0.00 0.00 34.13 31.91 2ksi s GLU 67 CO 0.05 -0.31 1.56 0.22 0.02 0.00 0.00 175.26 176.79 2ksi h ASP 68 N 0.27 -1.73 -0.58 -0.19 3.58 -1.93 -0.15 116.42 115.69 2ksi h ASP 68 Ca -0.46 0.24 0.11 0.00 0.42 0.00 0.00 57.03 57.34 2ksi h ASP 68 Cb 1.19 0.73 -0.09 0.00 1.72 0.00 0.00 39.33 42.89 2ksi h ASP 68 CO 0.62 -0.39 0.09 0.44 -2.88 0.00 0.00 179.24 177.13 2ksi h ASP 69 N -0.35 -0.06 -0.68 2.28 5.19 -1.94 -1.00 116.42 119.86 2ksi h ASP 69 Ca 0.10 0.12 0.11 0.00 -0.62 0.00 0.00 57.03 56.74 2ksi h ASP 69 Cb 0.59 0.17 -0.08 0.00 0.18 0.00 0.00 39.33 40.19 2ksi h ASP 69 CO -0.61 -0.02 0.27 0.40 -3.12 0.00 0.00 179.24 176.16 2ksi h ILE 70 N 0.22 0.74 -0.88 0.35 1.08 -1.46 -0.80 117.51 116.77 2ksi h ILE 70 Ca 0.31 -0.15 0.17 0.00 -0.39 0.00 0.00 64.86 64.79 2ksi h ILE 70 Cb 0.46 0.25 -0.10 0.00 -3.07 0.00 0.00 36.82 34.35 2ksi h ILE 70 CO -0.42 0.08 0.44 -0.03 -0.69 0.00 0.00 178.15 177.53 2ksi h MET 71 N 0.45 0.54 -0.05 2.37 4.05 0.22 0.34 114.93 122.85 2ksi h MET 71 Ca 0.35 -0.03 -0.09 0.00 -0.28 0.00 0.00 59.70 59.65 2ksi h MET 71 Cb 0.47 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.13 2ksi h MET 71 CO -0.34 0.36 -0.38 0.35 0.23 0.00 0.00 176.91 177.13 2ksi h PHE 72 N 0.56 0.12 0.20 1.39 3.57 -1.04 0.44 116.94 122.17 2ksi h PHE 72 Ca 0.50 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.96 2ksi h PHE 72 Cb 0.81 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.52 2ksi h PHE 72 CO -0.10 0.48 -0.09 0.00 -2.23 0.00 0.00 178.31 176.37 2ksi h ALA 73 N 1.52 -0.26 -0.22 2.41 0.00 -0.03 -3.05 119.26 119.62 2ksi h ALA 73 Ca 0.01 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2ksi h ALA 73 Cb 0.72 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2ksi h ALA 73 CO 0.05 -0.25 -0.02 0.82 0.00 0.00 0.00 179.25 179.86 2ksi h ILE 74 N -1.06 1.27 -0.93 0.00 2.04 -0.63 0.30 117.51 118.50 2ksi h ILE 74 Ca -0.03 -0.94 0.18 0.00 1.00 0.00 0.00 64.86 65.08 2ksi h ILE 74 Cb 0.24 1.44 -0.08 0.00 -0.74 0.00 0.00 36.82 37.69 2ksi h ILE 74 CO 0.04 0.29 0.60 1.23 0.00 0.00 0.00 178.15 180.31 2ksi h GLY 75 N 0.15 1.20 -1.49 5.37 0.00 -0.28 0.40 103.07 108.43 2ksi h GLY 75 Ca 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.12 2ksi h GLY 75 CO 0.01 0.02 0.00 -1.30 0.00 0.00 0.00 176.54 175.27 2ksi n THR 76 N -4.59 0.37 -2.65 4.70 -2.24 -1.14 -4.74 114.28 103.99 2ksi n THR 76 Ca 0.20 -0.53 -0.21 0.00 -2.27 0.00 0.00 64.05 61.24 2ksi n THR 76 Cb 0.59 0.60 0.01 0.00 -2.10 0.00 0.00 70.33 69.43 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 1.28 -0.51 0.20 3.38 0.00 0.14 -4.89 105.19 104.80 2ksi n GLY 77 Ca 0.17 0.05 -0.19 0.00 0.00 0.00 0.00 46.02 46.05 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 1.00 0.19 -2.83 4.61 0.00 -0.64 -3.46 119.26 118.12 2ksi h ALA 78 Ca -0.50 -0.68 -0.51 0.00 0.00 0.00 0.00 54.91 53.22 2ksi h ALA 78 Cb 1.36 0.04 -0.17 0.00 0.00 0.00 0.00 17.79 19.01 2ksi h ALA 78 CO 0.57 0.70 -0.78 -0.48 0.00 0.00 0.00 179.25 179.26 2ksi s LEU 79 N -8.15 2.45 0.04 0.00 0.05 -1.23 -5.04 118.68 106.80 2ksi s LEU 79 Ca -0.10 -0.88 -0.30 0.00 0.05 0.00 0.00 54.13 52.90 2ksi s LEU 79 Cb 0.07 -0.80 -0.06 0.00 -2.05 0.00 0.00 46.19 43.35 2ksi s LEU 79 CO 0.91 -0.05 1.42 -2.16 -0.55 0.00 0.00 176.35 175.92 2ksi s PRO 80 N -2.88 4.29 0.32 1.48 0.04 -1.26 -4.62 135.00 132.36 2ksi s PRO 80 Ca 0.16 2.02 0.03 0.00 0.04 0.00 0.00 61.00 63.26 2ksi s PRO 80 Cb -0.05 -3.49 0.54 0.00 0.04 0.00 0.00 34.50 31.54 2ksi s PRO 80 CO 0.06 -0.55 1.84 0.00 0.04 0.00 0.00 177.00 178.40 2ksi h ALA 81 N 7.59 1.30 0.36 8.56 0.00 -1.99 -0.97 119.26 134.12 2ksi h ALA 81 Ca -0.40 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 2ksi h ALA 81 Cb 1.19 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2ksi h ALA 81 CO 0.89 0.47 -0.17 -0.22 0.00 0.00 0.00 179.25 180.22 2ksi h LYS 82 N 0.54 -0.46 -0.47 0.00 3.64 -1.99 -2.52 116.57 115.31 2ksi h LYS 82 Ca 0.11 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2ksi h LYS 82 Cb 0.37 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 2ksi h LYS 82 CO 0.01 -0.17 0.31 1.49 -2.27 0.00 0.00 179.45 178.82 2ksi h GLU 83 N -0.74 0.62 -0.46 1.90 4.57 -1.95 0.36 114.58 118.86 2ksi h GLU 83 Ca -0.05 -0.04 0.09 0.00 -1.18 0.00 0.00 59.36 58.18 2ksi h GLU 83 Cb 0.51 -0.14 -0.09 0.00 -0.16 0.00 0.00 28.75 28.87 2ksi h GLU 83 CO 0.08 0.41 -0.12 0.00 -1.18 0.00 0.00 179.01 178.20 2ksi h ALA 84 N 1.17 0.30 0.00 2.92 0.00 -1.18 -0.37 119.26 122.09 2ksi h ALA 84 Ca 0.17 0.18 -0.12 0.00 0.00 0.00 0.00 54.91 55.14 2ksi h ALA 84 Cb -0.06 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2ksi h ALA 84 CO -0.04 -0.45 -0.58 0.52 0.00 0.00 0.00 179.25 178.70 2ksi h MET 85 N -0.01 0.00 0.00 0.00 2.86 -1.19 -3.16 114.93 113.44 2ksi h MET 85 Ca 0.22 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.85 2ksi h MET 85 Cb 0.35 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 2ksi h MET 85 CO -0.48 0.58 -0.08 0.00 1.06 0.00 0.00 176.91 177.99 2ksi h ALA 86 N 1.42 1.80 -0.39 6.32 0.00 0.14 -1.63 119.26 126.92 2ksi h ALA 86 Ca -0.01 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 2ksi h ALA 86 Cb 1.31 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.98 2ksi h ALA 86 CO 0.08 0.10 0.24 1.04 0.00 0.00 0.00 179.25 180.71 2ksi n GLN 87 N -4.34 1.62 -2.23 0.00 6.02 -0.63 -4.83 117.38 112.99 2ksi n GLN 87 Ca -0.03 -1.24 -0.07 0.00 -0.01 0.00 0.00 57.00 55.65 2ksi n GLN 87 Cb 0.16 -1.52 -0.01 0.00 1.02 0.00 0.00 30.24 29.89 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 -0.14 -2.48 -0.63 1.08 -0.08 -0.61 -4.75 116.55 108.94 2ksi n ASP 88 Ca 0.23 0.30 0.10 0.00 -1.51 0.00 0.00 54.79 53.91 2ksi n ASP 88 Cb 0.95 -2.23 0.33 0.00 2.34 0.00 0.00 41.12 42.51 2ksi n ASP 88 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2ksi n LYS 89 N -2.45 1.83 -3.54 -0.67 4.76 -1.22 -4.90 118.16 111.97 2ksi n LYS 89 Ca -0.08 -1.25 -0.12 0.00 -2.87 0.00 0.00 58.31 53.99 2ksi n LYS 89 Cb 0.50 -1.39 -0.05 0.00 -1.84 0.00 0.00 35.03 32.25 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 -1.72 0.79 -0.29 1.97 -1.94 -1.26 -4.93 119.30 111.91 2ksi s MET 90 Ca 0.32 0.07 0.01 0.00 -1.71 0.00 0.00 55.69 54.38 2ksi s MET 90 Cb 0.17 0.37 0.06 0.00 2.01 0.00 0.00 34.83 37.44 2ksi s MET 90 CO 0.26 -0.27 -0.04 -1.21 -0.01 0.00 0.00 175.02 173.75 2ksi s GLU 91 N -1.60 2.27 -0.04 2.03 2.02 -1.26 -4.84 118.70 117.28 2ksi s GLU 91 Ca -0.03 -1.36 0.05 0.00 0.02 0.00 0.00 54.97 53.64 2ksi s GLU 91 Cb -0.00 -3.07 -0.02 0.00 0.10 0.00 0.00 34.13 31.13 2ksi s GLU 91 CO 0.01 -0.64 -0.17 0.14 0.02 0.00 0.00 175.26 174.62 2ksi s VAL 92 N 1.16 2.80 -0.17 2.63 -7.23 -1.26 -3.45 120.40 114.89 2ksi s VAL 92 Ca -0.05 -0.82 -0.02 0.00 -1.81 0.00 0.00 61.98 59.28 2ksi s VAL 92 Cb -0.20 -2.07 0.05 0.00 0.56 0.00 0.00 36.38 34.72 2ksi s VAL 92 CO -0.03 0.59 -0.00 -1.81 -0.31 0.00 0.00 175.10 173.53 2ksi s ASP 93 N -0.70 2.73 0.00 4.85 1.01 -0.37 -5.03 116.67 119.17 2ksi s ASP 93 Ca 0.11 -0.67 0.00 0.00 0.71 0.00 0.00 52.55 52.69 2ksi s ASP 93 Cb -0.10 -0.71 0.00 0.00 1.01 0.00 0.00 42.92 43.12 2ksi s ASP 93 CO 0.00 -0.24 0.00 0.61 0.21 0.00 0.00 175.17 175.75 2ksi n GLY 94 N 4.98 1.67 3.67 0.21 0.00 -1.26 0.66 105.19 115.13 2ksi n GLY 94 Ca -0.10 -0.96 -0.46 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 -0.66 2.46 -0.32 1.61 0.00 -1.26 -4.83 117.38 114.37 2ksi n GLN 95 Ca 0.00 0.90 0.20 0.00 -0.00 0.00 0.00 57.00 58.10 2ksi n GLN 95 Cb 0.00 -2.79 0.40 0.00 0.00 0.00 0.00 30.24 27.85 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 5.49 0.13 -0.18 1.69 2.07 -1.99 0.37 116.25 123.83 2ksi h VAL 96 Ca -0.49 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 2ksi h VAL 96 Cb 1.26 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 2ksi h VAL 96 CO 0.94 0.02 -0.04 -0.33 0.02 0.00 0.00 177.57 178.18 2ksi h GLU 97 N 0.10 0.34 -0.35 1.57 5.08 -1.96 -1.72 114.58 117.63 2ksi h GLU 97 Ca 0.67 -0.13 0.07 0.00 -1.00 0.00 0.00 59.36 58.98 2ksi h GLU 97 Cb 1.54 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 30.68 2ksi h GLU 97 CO -0.77 0.60 -0.33 -0.07 -1.00 0.00 0.00 179.01 177.44 2ksi h LEU 98 N 0.05 -1.08 -0.75 1.33 -0.00 -0.65 0.39 115.31 114.61 2ksi h LEU 98 Ca 0.05 0.18 0.00 0.00 -0.00 0.00 0.00 57.88 58.11 2ksi h LEU 98 Cb 0.47 0.50 0.00 0.00 -0.00 0.00 0.00 40.66 41.63 2ksi h LEU 98 CO 0.02 -0.33 0.00 0.16 -0.00 0.00 0.00 178.44 178.29 2ksi h ILE 99 N -0.28 0.00 0.00 1.22 -0.00 -1.37 -2.32 117.51 114.76 2ksi h ILE 99 Ca 0.16 -0.31 0.00 0.00 -0.00 0.00 0.00 64.86 64.71 2ksi h ILE 99 Cb 0.54 1.11 0.00 0.00 -0.00 0.00 0.00 36.82 38.47 2ksi h ILE 99 CO -0.51 0.00 -0.19 0.33 -0.00 0.00 0.00 178.15 177.78 2ksi n PHE 100 N -2.39 0.11 0.05 0.16 7.35 0.12 -3.57 117.46 119.30 2ksi n PHE 100 Ca 0.02 0.03 -0.16 0.00 -0.76 0.00 0.00 57.45 56.58 2ksi n PHE 100 Cb 0.27 -0.47 -0.07 0.00 0.35 0.00 0.00 39.48 39.56 2ksi n PHE 100 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2ksi h LEU 101 N 0.00 0.70 -0.18 -2.13 -0.00 -0.57 -3.14 115.31 109.99 2ksi h LEU 101 Ca 0.00 -0.55 0.00 0.00 -0.00 0.00 0.00 57.88 57.33 2ksi h LEU 101 Cb 0.53 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 40.98 2ksi h LEU 101 CO 0.00 1.35 -0.15 0.18 -0.00 0.00 0.00 178.44 179.82 2ksi n LEU 102 N -3.80 0.44 0.15 1.67 4.32 -1.24 -4.00 117.00 114.55 2ksi n LEU 102 Ca -0.08 0.06 -0.14 0.00 -0.02 0.00 0.00 56.01 55.83 2ksi n LEU 102 Cb 0.85 -0.23 -0.08 0.00 -1.62 0.00 0.00 43.42 42.34 2ksi n LEU 102 CO 0.53 0.09 0.66 -0.33 -1.22 0.00 0.00 177.39 177.11 2ksi h GLU 103 N 0.44 -0.35 0.00 3.23 5.08 -1.59 -2.07 114.58 119.32 2ksi h GLU 103 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2ksi h GLU 103 Cb 0.40 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2ksi h GLU 103 CO 0.00 -0.10 0.00 -0.35 -1.00 0.00 0.00 179.01 177.56 2ksi n PRO 104 N -5.16 0.07 0.02 2.33 -0.04 -1.26 -2.05 135.00 128.92 2ksi n PRO 104 Ca -0.10 0.22 0.11 0.00 -0.04 0.00 0.00 63.50 63.69 2ksi n PRO 104 Cb 0.23 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.12 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 0.27 -0.14 0.54 3.72 -1.04 -4.33 117.46 115.05 2ksi n PHE 105 Ca 0.05 0.08 -0.04 0.00 -0.05 0.00 0.00 57.45 57.49 2ksi n PHE 105 Cb 0.15 -0.52 0.05 0.00 -0.94 0.00 0.00 39.48 38.22 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 0.80 -0.67 4.37 2.04 -0.79 -1.38 117.51 121.87 2ksi h ILE 106 Ca 0.00 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 2ksi h ILE 106 Cb 0.86 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 2ksi h ILE 106 CO 0.00 0.05 0.40 0.00 0.00 0.00 0.00 178.15 178.60 2ksi h ALA 107 N 1.33 1.44 -0.91 1.87 0.00 -1.75 -1.92 119.26 119.31 2ksi h ALA 107 Ca 0.22 -0.08 0.26 0.00 0.00 0.00 0.00 54.91 55.31 2ksi h ALA 107 Cb 0.26 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2ksi h ALA 107 CO -0.26 0.48 0.65 0.77 0.00 0.00 0.00 179.25 180.89 2ksi h SER 108 N 0.93 0.02 -3.35 0.00 0.02 -1.46 -3.41 113.55 106.30 2ksi h SER 108 Ca 0.24 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.77 2ksi h SER 108 Cb -0.03 -0.00 0.20 0.00 0.14 0.00 0.00 62.40 62.71 2ksi h SER 108 CO -0.05 0.01 0.03 -0.76 -1.14 0.00 0.00 176.83 174.93 2ksi s LEU 109 N -8.58 0.66 0.00 5.07 1.43 -0.72 -5.04 118.68 111.50 2ksi s LEU 109 Ca -0.05 1.28 0.24 0.00 -1.03 0.00 0.00 54.13 54.57 2ksi s LEU 109 Cb 0.22 -3.15 0.20 0.00 0.03 0.00 0.00 46.19 43.49 2ksi s LEU 109 CO 0.77 -4.17 1.27 0.29 0.23 0.00 0.00 176.35 174.74