#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 6.46 0.15 7.83 1.04 -1.26 -5.08 113.70 122.84 2ksi s SER 2 Ca 0.00 0.54 0.10 0.00 0.48 0.00 0.00 55.95 57.08 2ksi s SER 2 Cb 0.00 -2.21 -0.04 0.00 0.10 0.00 0.00 66.02 63.87 2ksi s SER 2 CO 0.00 0.04 -0.24 -1.48 0.98 0.00 0.00 173.24 172.54 2ksi s LEU 3 N 0.73 2.37 0.30 2.42 -0.00 -1.26 -5.03 118.68 118.21 2ksi s LEU 3 Ca 0.18 -0.79 0.05 0.00 -0.00 0.00 0.00 54.13 53.58 2ksi s LEU 3 Cb -0.14 -1.10 0.77 0.00 -0.00 0.00 0.00 46.19 45.73 2ksi s LEU 3 CO 0.06 0.12 1.69 0.11 -0.00 0.00 0.00 176.35 178.33 2ksi h LYS 4 N 3.63 0.38 -1.24 1.48 6.56 -2.04 0.37 116.57 125.72 2ksi h LYS 4 Ca -0.48 -0.02 0.36 0.00 -1.06 0.00 0.00 60.65 59.45 2ksi h LYS 4 Cb 1.19 -0.09 -0.05 0.00 -0.57 0.00 0.00 32.23 32.71 2ksi h LYS 4 CO 0.43 0.25 1.02 0.77 -2.06 0.00 0.00 179.45 179.87 2ksi h SER 5 N 0.39 0.00 -0.76 0.86 0.02 -1.97 0.38 113.55 112.48 2ksi h SER 5 Ca 0.58 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 61.64 2ksi h SER 5 Cb 1.14 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.60 2ksi h SER 5 CO -0.54 0.00 0.39 -0.78 -1.14 0.00 0.00 176.83 174.76 2ksi h ASP 6 N 0.00 0.51 -0.87 3.07 1.82 -0.67 -0.51 116.42 119.77 2ksi h ASP 6 Ca 0.59 0.06 0.12 0.00 -0.39 0.00 0.00 57.03 57.41 2ksi h ASP 6 Cb 2.63 -0.02 -0.06 0.00 0.68 0.00 0.00 39.33 42.55 2ksi h ASP 6 CO -0.01 0.27 0.56 -0.08 -1.61 0.00 0.00 179.24 178.38 2ksi h GLU 7 N 0.64 0.72 0.35 0.28 4.57 -0.40 -2.63 114.58 118.10 2ksi h GLU 7 Ca 0.38 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.51 2ksi h GLU 7 Cb 0.42 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.82 2ksi h GLU 7 CO -0.28 0.48 -0.46 0.28 -1.18 0.00 0.00 179.01 177.84 2ksi h VAL 8 N 0.74 0.00 -0.85 0.32 2.07 -1.19 0.27 116.25 117.61 2ksi h VAL 8 Ca 0.42 0.00 0.19 0.00 0.82 0.00 0.00 66.70 68.13 2ksi h VAL 8 Cb 0.58 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.24 2ksi h VAL 8 CO -0.18 0.00 0.36 -0.26 0.02 0.00 0.00 177.57 177.50 2ksi h PHE 9 N -0.84 0.60 -0.40 1.57 -1.00 -1.48 -0.02 116.94 115.38 2ksi h PHE 9 Ca -0.04 0.04 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 2ksi h PHE 9 Cb 0.75 -0.13 -0.02 0.00 3.61 0.00 0.00 35.95 40.16 2ksi h PHE 9 CO -0.30 0.01 0.24 0.00 -1.61 0.00 0.00 178.31 176.65 2ksi h ALA 10 N 1.64 0.51 -0.39 2.45 0.00 -1.16 -2.71 119.26 119.61 2ksi h ALA 10 Ca 0.50 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.42 2ksi h ALA 10 Cb 0.87 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 2ksi h ALA 10 CO -0.48 -0.00 0.03 0.87 0.00 0.00 0.00 179.25 179.67 2ksi h LYS 11 N 0.52 0.14 -0.25 0.00 1.57 0.97 0.99 116.57 120.51 2ksi h LYS 11 Ca 0.14 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.97 2ksi h LYS 11 Cb -0.00 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.22 2ksi h LYS 11 CO -0.03 0.09 -0.12 0.82 -0.57 0.00 0.00 179.45 179.65 2ksi h ILE 12 N 0.14 0.63 0.25 1.86 2.04 -1.17 0.90 117.51 122.16 2ksi h ILE 12 Ca 0.19 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.04 2ksi h ILE 12 Cb 0.25 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 2ksi h ILE 12 CO -0.29 0.00 -0.12 0.00 0.00 0.00 0.00 178.15 177.74 2ksi h ALA 13 N 1.12 -0.34 -0.46 1.87 0.00 -1.11 -2.26 119.26 118.08 2ksi h ALA 13 Ca 0.13 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 55.07 2ksi h ALA 13 Cb 0.28 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2ksi h ALA 13 CO -0.30 -0.65 0.34 0.87 0.00 0.00 0.00 179.25 179.51 2ksi h LYS 14 N -0.43 0.00 -0.10 0.00 6.56 -0.52 0.74 116.57 122.83 2ksi h LYS 14 Ca -0.03 0.00 -0.17 0.00 -1.06 0.00 0.00 60.65 59.39 2ksi h LYS 14 Cb 0.32 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.98 2ksi h LYS 14 CO 0.06 0.00 -0.66 -0.09 -2.06 0.00 0.00 179.45 176.69 2ksi h ARG 15 N 0.00 0.39 0.00 3.15 1.12 -0.34 -3.03 114.38 115.67 2ksi h ARG 15 Ca 0.22 -0.29 -0.03 0.00 -1.11 0.00 0.00 59.98 58.77 2ksi h ARG 15 Cb 0.90 0.05 -0.00 0.00 -0.01 0.00 0.00 29.97 30.91 2ksi h ARG 15 CO -0.00 0.92 -0.14 -0.07 -3.11 0.00 0.00 179.97 177.57 2ksi h LEU 16 N 0.28 0.00 -2.35 3.80 3.38 -0.29 -1.83 115.31 118.30 2ksi h LEU 16 Ca -0.02 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.99 2ksi h LEU 16 Cb 1.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 2ksi h LEU 16 CO 0.11 0.14 0.17 -0.33 0.09 0.00 0.00 178.44 178.61 2ksi h GLU 17 N 0.00 0.00 0.00 1.13 5.08 -1.39 0.17 114.58 119.56 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 0.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2ksi h GLU 17 CO 0.02 0.00 -0.42 0.77 -1.00 0.00 0.00 179.01 178.38 2ksi h SER 18 N 0.00 0.00 -0.86 1.42 0.02 -1.49 -3.44 113.55 109.20 2ksi h SER 18 Ca 0.05 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.41 2ksi h SER 18 Cb 0.38 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 2ksi h SER 18 CO -0.00 0.42 1.54 -0.38 -1.14 0.00 0.00 176.83 177.27 2ksi n ILE 19 N -3.38 0.07 -3.71 3.27 5.41 0.59 -4.91 119.36 116.69 2ksi n ILE 19 Ca 0.01 -0.29 -0.35 0.00 1.00 0.00 0.00 62.75 63.12 2ksi n ILE 19 Cb 0.60 -1.54 -0.05 0.00 -0.71 0.00 0.00 39.64 37.94 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 8.66 6.53 0.34 4.38 1.11 -1.26 -4.99 116.67 131.45 2ksi s ASP 20 Ca 1.14 0.62 0.26 0.00 0.18 0.00 0.00 52.55 54.75 2ksi s ASP 20 Cb -0.86 -2.11 1.10 0.00 1.07 0.00 0.00 42.92 42.13 2ksi s ASP 20 CO 0.45 0.24 1.79 1.55 1.18 0.00 0.00 175.17 180.38 2ksi h PRO 21 N 3.95 0.00 0.00 8.23 0.13 -2.00 -2.58 132.00 139.73 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 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2ksi h PRO 21 CO 0.66 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.43 2ksi n ALA 22 N -1.86 2.21 -3.15 -0.56 0.00 -1.26 -4.58 120.51 111.31 2ksi n ALA 22 Ca 0.02 -0.11 0.06 0.00 0.00 0.00 0.00 53.44 53.40 2ksi n ALA 22 Cb 0.24 -1.38 -0.01 0.00 0.00 0.00 0.00 19.45 18.31 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 -2.49 -0.33 0.51 0.00 3.04 -0.97 -5.18 114.94 109.52 2ksi s ASN 23 Ca 0.24 0.11 0.05 0.00 0.04 0.00 0.00 52.86 53.30 2ksi s ASN 23 Cb 0.16 1.24 0.02 0.00 -1.54 0.00 0.00 41.25 41.12 2ksi s ASN 23 CO 0.34 -0.06 0.33 -0.13 -3.04 0.00 0.00 177.10 174.54 2ksi s ARG 24 N 2.97 2.27 0.00 0.43 1.81 -1.25 -4.36 118.95 120.81 2ksi s ARG 24 Ca 0.14 -2.00 0.00 0.00 -1.72 0.00 0.00 55.73 52.14 2ksi s ARG 24 Cb -0.05 -2.04 0.00 0.00 -0.45 0.00 0.00 34.95 32.41 2ksi s ARG 24 CO -0.17 -0.49 0.00 1.04 -0.68 0.00 0.00 175.30 175.00 2ksi n GLN 25 N -1.63 0.00 -3.61 3.54 3.00 -1.26 -5.09 117.38 112.34 2ksi n GLN 25 Ca -0.03 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.75 2ksi n GLN 25 Cb 0.64 -0.00 -0.16 0.00 0.00 0.00 0.00 30.24 30.72 2ksi n GLN 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2ksi s VAL 26 N -0.01 -0.19 -0.20 5.09 0.11 -1.26 -5.13 120.40 118.81 2ksi s VAL 26 Ca 0.00 0.08 -0.06 0.00 -2.93 0.00 0.00 61.98 59.07 2ksi s VAL 26 Cb 0.00 -0.45 -0.03 0.00 -1.53 0.00 0.00 36.38 34.37 2ksi s VAL 26 CO 0.00 -0.08 0.02 -1.61 -3.33 0.00 0.00 175.10 170.11 2ksi s GLU 27 N 2.22 3.70 0.13 1.54 8.01 -1.26 -5.07 118.70 127.98 2ksi s GLU 27 Ca 0.04 -0.48 -0.24 0.00 0.01 0.00 0.00 54.97 54.30 2ksi s GLU 27 Cb -0.14 -3.14 0.08 0.00 -4.31 0.00 0.00 34.13 26.61 2ksi s GLU 27 CO -0.08 0.04 1.11 -1.01 0.01 0.00 0.00 175.26 175.33 2ksi s HIS 28 N 0.95 0.06 -0.18 1.61 3.76 -1.26 -5.06 115.29 115.17 2ksi s HIS 28 Ca 0.02 -0.38 -0.16 0.00 -0.15 0.00 0.00 55.06 54.39 2ksi s HIS 28 Cb -0.14 0.66 -0.04 0.00 1.11 0.00 0.00 32.58 34.17 2ksi s HIS 28 CO 0.02 -0.74 0.38 0.08 -0.85 0.00 0.00 174.74 173.63 2ksi s VAL 29 N -2.12 5.23 0.44 -0.90 1.01 -1.26 -4.26 120.40 118.53 2ksi s VAL 29 Ca 0.24 0.70 0.06 0.00 0.00 0.00 0.00 61.98 62.98 2ksi s VAL 29 Cb -0.02 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 2ksi s VAL 29 CO 0.04 0.30 0.08 -0.31 0.00 0.00 0.00 175.10 175.20 2ksi s TYR 30 N 0.98 2.33 -0.02 5.22 1.51 -1.25 -2.24 117.35 123.88 2ksi s TYR 30 Ca 0.19 -0.73 0.01 0.00 -1.01 0.00 0.00 57.07 55.53 2ksi s TYR 30 Cb -0.14 -1.80 0.02 0.00 -0.11 0.00 0.00 41.96 39.93 2ksi s TYR 30 CO 0.07 0.27 -0.01 0.21 -1.11 0.00 0.00 175.55 174.98 2ksi s LYS 31 N -3.84 0.28 -0.17 -0.62 2.20 -0.84 -3.20 119.74 113.55 2ksi s LYS 31 Ca 0.30 0.00 -0.00 0.00 -0.36 0.00 0.00 55.97 55.91 2ksi s LYS 31 Cb 0.06 -0.38 0.04 0.00 -1.51 0.00 0.00 37.83 36.03 2ksi s LYS 31 CO 0.16 -0.06 -0.07 -0.06 -0.36 0.00 0.00 175.35 174.96 2ksi s PHE 32 N 0.59 1.93 -0.11 4.03 0.40 0.10 -0.24 117.98 124.68 2ksi s PHE 32 Ca -0.06 -1.22 -0.14 0.00 -0.60 0.00 0.00 56.93 54.91 2ksi s PHE 32 Cb -0.09 -1.42 -0.05 0.00 0.51 0.00 0.00 43.02 41.97 2ksi s PHE 32 CO -0.01 -0.65 0.35 1.03 0.70 0.00 0.00 175.22 176.63 2ksi s ARG 33 N 1.56 4.12 -0.08 0.44 0.52 -0.91 0.11 118.95 124.71 2ksi s ARG 33 Ca 0.01 0.23 0.03 0.00 -0.52 0.00 0.00 55.73 55.47 2ksi s ARG 33 Cb -0.15 -3.36 -0.02 0.00 0.52 0.00 0.00 34.95 31.94 2ksi s ARG 33 CO -0.08 0.38 -0.16 0.42 0.02 0.00 0.00 175.30 175.88 2ksi s ILE 34 N -0.01 2.85 -0.05 1.52 -1.09 -0.96 -2.98 121.20 120.48 2ksi s ILE 34 Ca 0.20 -0.78 0.06 0.00 -2.23 0.00 0.00 60.65 57.91 2ksi s ILE 34 Cb -0.14 -2.13 -0.01 0.00 -1.58 0.00 0.00 42.46 38.59 2ksi s ILE 34 CO 0.07 0.57 -0.24 0.42 -1.23 0.00 0.00 174.94 174.53 2ksi s THR 35 N -0.27 2.20 -0.30 2.92 -4.23 -1.26 0.30 115.64 115.00 2ksi s THR 35 Ca 0.01 -1.02 0.03 0.00 -1.18 0.00 0.00 61.69 59.52 2ksi s THR 35 Cb -0.13 -1.80 0.16 0.00 1.34 0.00 0.00 72.50 72.07 2ksi s THR 35 CO 0.03 0.57 0.43 -1.10 -0.54 0.00 0.00 174.62 174.01 2ksi s GLN 36 N -0.32 0.46 0.00 3.99 -0.21 -0.81 -2.96 119.66 119.81 2ksi s GLN 36 Ca 0.01 0.06 0.00 0.00 0.02 0.00 0.00 55.36 55.46 2ksi s GLN 36 Cb -0.12 -0.27 0.00 0.00 1.00 0.00 0.00 33.01 33.61 2ksi s GLN 36 CO 0.02 -1.06 0.00 0.41 -2.12 0.00 0.00 175.29 172.54 2ksi n GLY 37 N 5.23 1.24 0.00 3.09 0.00 -1.26 -4.57 105.19 108.92 2ksi n GLY 37 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.51 2.32 3.12 -0.02 0.00 -1.26 -5.07 105.19 103.77 2ksi n GLY 38 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.48 0.72 0.01 1.61 2.36 -1.26 -5.11 119.74 117.58 2ksi s LYS 39 Ca 0.00 -1.29 -0.35 0.00 -2.55 0.00 0.00 55.97 51.79 2ksi s LYS 39 Cb 0.00 0.12 -0.13 0.00 -1.05 0.00 0.00 37.83 36.77 2ksi s LYS 39 CO 0.00 -0.12 1.70 0.28 1.55 0.00 0.00 175.35 178.77 2ksi n VAL 40 N 0.04 0.28 0.03 4.02 0.31 -1.26 -1.92 118.33 119.83 2ksi n VAL 40 Ca -0.12 -0.05 -0.15 0.00 -0.01 0.00 0.00 64.34 64.01 2ksi n VAL 40 Cb 0.61 -1.59 -0.14 0.00 -0.91 0.00 0.00 33.84 31.82 2ksi n VAL 40 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 2ksi h VAL 41 N 4.54 0.98 -1.21 2.52 3.04 -0.45 -3.45 116.25 122.21 2ksi h VAL 41 Ca -0.47 -2.69 0.19 0.00 -1.01 0.00 0.00 66.70 62.72 2ksi h VAL 41 Cb 1.28 2.62 -0.26 0.00 -2.01 0.00 0.00 31.29 32.91 2ksi h VAL 41 CO 0.91 0.76 0.82 -0.75 -1.01 0.00 0.00 177.57 178.30 2ksi s LYS 42 N -2.60 0.23 0.53 4.17 2.47 -1.19 -5.04 119.74 118.31 2ksi s LYS 42 Ca -0.10 0.06 -0.06 0.00 -1.56 0.00 0.00 55.97 54.31 2ksi s LYS 42 Cb 0.07 0.11 -0.02 0.00 -1.46 0.00 0.00 37.83 36.53 2ksi s LYS 42 CO 0.83 -0.07 0.84 -0.80 0.16 0.00 0.00 175.35 176.31 2ksi s ASN 43 N -0.99 5.97 0.03 1.43 -0.87 -1.26 -2.26 114.94 116.99 2ksi s ASN 43 Ca 0.06 0.84 0.01 0.00 -1.57 0.00 0.00 52.86 52.20 2ksi s ASN 43 Cb -0.01 -2.01 -0.02 0.00 -0.02 0.00 0.00 41.25 39.19 2ksi s ASN 43 CO -0.05 -0.80 -0.05 0.26 -2.57 0.00 0.00 177.10 173.89 2ksi s TRP 44 N -2.86 0.44 -0.00 2.20 0.51 0.29 -2.74 118.94 116.77 2ksi s TRP 44 Ca 0.50 -0.51 0.06 0.00 -2.12 0.00 0.00 56.10 54.04 2ksi s TRP 44 Cb -0.10 -0.28 -0.02 0.00 -0.81 0.00 0.00 33.47 32.26 2ksi s TRP 44 CO 0.45 -0.14 -0.20 0.08 -0.51 0.00 0.00 176.95 176.63 2ksi s VAL 45 N -1.41 1.60 -0.52 4.03 1.01 0.13 0.02 120.40 125.26 2ksi s VAL 45 Ca -0.13 -0.93 -0.16 0.00 0.00 0.00 0.00 61.98 60.76 2ksi s VAL 45 Cb -0.10 -1.34 0.11 0.00 0.00 0.00 0.00 36.38 35.05 2ksi s VAL 45 CO -0.00 0.39 0.46 -0.32 0.00 0.00 0.00 175.10 175.63 2ksi s MET 46 N -0.62 2.97 -1.27 2.72 1.75 -1.19 -2.04 119.30 121.60 2ksi s MET 46 Ca 0.08 -1.61 -0.18 0.00 -1.25 0.00 0.00 55.69 52.73 2ksi s MET 46 Cb -0.08 -4.23 0.08 0.00 2.84 0.00 0.00 34.83 33.44 2ksi s MET 46 CO -0.00 -1.24 1.68 -0.51 -0.65 0.00 0.00 175.02 174.31 2ksi s ASP 47 N 3.27 6.86 0.22 1.11 1.11 0.13 -3.89 116.67 125.47 2ksi s ASP 47 Ca 0.03 -2.48 0.24 0.00 0.18 0.00 0.00 52.55 50.53 2ksi s ASP 47 Cb -0.28 -2.55 0.91 0.00 1.07 0.00 0.00 42.92 42.06 2ksi s ASP 47 CO 0.04 -1.13 1.74 0.18 1.18 0.00 0.00 175.17 177.18 2ksi n LEU 48 N 8.03 0.67 -0.07 1.23 4.32 -1.26 -0.33 117.00 129.59 2ksi n LEU 48 Ca 0.47 0.62 -0.13 0.00 -0.02 0.00 0.00 56.01 56.94 2ksi n LEU 48 Cb 0.46 -0.47 -0.11 0.00 -1.62 0.00 0.00 43.42 41.68 2ksi n LEU 48 CO 0.74 -0.37 0.18 0.11 -1.22 0.00 0.00 177.39 176.83 2ksi h LYS 49 N 0.00 0.00 -0.00 3.23 1.57 -1.85 -3.34 116.57 116.18 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 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2ksi h LYS 49 CO 0.00 0.84 -0.17 0.09 -0.57 0.00 0.00 179.45 179.64 2ksi n ASN 50 N -4.61 0.52 -2.26 0.86 4.13 -1.22 -4.94 115.26 107.74 2ksi n ASN 50 Ca -0.12 -0.49 -0.10 0.00 1.68 0.00 0.00 54.58 55.55 2ksi n ASN 50 Cb 0.44 -0.04 0.05 0.00 -1.54 0.00 0.00 39.78 38.68 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 -1.02 -2.69 -4.07 2.41 0.31 -0.05 -5.04 118.33 108.18 2ksi n VAL 51 Ca 0.12 -0.18 -0.11 0.00 -0.01 0.00 0.00 64.34 64.17 2ksi n VAL 51 Cb 0.30 -3.51 -0.06 0.00 -0.91 0.00 0.00 33.84 29.65 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 -5.06 1.50 -0.30 5.55 2.20 0.55 -4.68 119.74 119.49 2ksi s LYS 52 Ca 0.11 -1.43 -0.01 0.00 -0.36 0.00 0.00 55.97 54.28 2ksi s LYS 52 Cb -0.05 0.41 0.10 0.00 -1.51 0.00 0.00 37.83 36.78 2ksi s LYS 52 CO 0.39 -0.59 0.09 -0.51 -0.36 0.00 0.00 175.35 174.37 2ksi s LEU 53 N -3.09 2.35 0.47 5.43 1.02 -1.26 0.19 118.68 123.79 2ksi s LEU 53 Ca 0.28 -1.62 0.08 0.00 0.02 0.00 0.00 54.13 52.89 2ksi s LEU 53 Cb 0.02 -0.91 0.03 0.00 0.02 0.00 0.00 46.19 45.35 2ksi s LEU 53 CO 0.11 -0.40 0.64 0.68 0.02 0.00 0.00 176.35 177.40 2ksi s VAL 54 N 1.58 2.77 -0.37 -1.59 -7.23 -0.87 -4.94 120.40 109.76 2ksi s VAL 54 Ca 0.09 -0.97 -0.11 0.00 -1.81 0.00 0.00 61.98 59.18 2ksi s VAL 54 Cb -0.17 -2.80 0.02 0.00 0.56 0.00 0.00 36.38 33.99 2ksi s VAL 54 CO -0.23 0.00 0.20 -1.83 -0.31 0.00 0.00 175.10 172.93 2ksi s GLU 55 N -4.46 2.88 0.10 4.82 4.04 -1.26 0.21 118.70 125.03 2ksi s GLU 55 Ca 0.57 -1.04 -0.26 0.00 0.04 0.00 0.00 54.97 54.28 2ksi s GLU 55 Cb -0.09 -3.70 0.08 0.00 0.02 0.00 0.00 34.13 30.44 2ksi s GLU 55 CO 0.35 -0.66 0.95 -1.12 -1.84 0.00 0.00 175.26 172.93 2ksi s SER 56 N 1.55 -0.23 -0.15 0.83 0.01 -1.11 -4.82 113.70 109.78 2ksi s SER 56 Ca 0.02 -0.27 -0.00 0.00 1.31 0.00 0.00 55.95 57.02 2ksi s SER 56 Cb -0.19 0.44 0.03 0.00 0.21 0.00 0.00 66.02 66.52 2ksi s SER 56 CO 0.06 -0.79 -0.09 1.51 0.41 0.00 0.00 173.24 174.34 2ksi s ASP 57 N -2.80 2.68 0.14 2.44 -4.77 -1.26 -2.53 116.67 110.58 2ksi s ASP 57 Ca 0.10 -0.54 -0.11 0.00 -3.30 0.00 0.00 52.55 48.70 2ksi s ASP 57 Cb -0.01 -1.01 0.01 0.00 -1.09 0.00 0.00 42.92 40.81 2ksi s ASP 57 CO -0.02 -0.12 0.31 -1.81 0.70 0.00 0.00 175.17 174.23 2ksi s ASP 58 N 1.58 -0.02 -0.75 2.11 1.01 -1.26 -5.08 116.67 114.25 2ksi s ASP 58 Ca 0.03 -0.67 -0.26 0.00 0.71 0.00 0.00 52.55 52.36 2ksi s ASP 58 Cb -0.14 0.44 -0.09 0.00 1.01 0.00 0.00 42.92 44.13 2ksi s ASP 58 CO -0.09 -0.87 2.25 0.00 0.21 0.00 0.00 175.17 176.67 2ksi s ALA 59 N -3.90 1.21 0.16 5.23 0.00 -1.26 -4.89 121.76 118.31 2ksi s ALA 59 Ca 0.11 -0.82 -0.06 0.00 0.00 0.00 0.00 51.96 51.19 2ksi s ALA 59 Cb 0.03 -4.51 -0.06 0.00 0.00 0.00 0.00 23.12 18.58 2ksi s ALA 59 CO -0.05 -5.24 0.41 0.00 0.00 0.00 0.00 175.76 170.88 2ksi s ALA 60 N 12.75 3.74 0.44 0.00 0.00 -1.26 -4.98 121.76 132.45 2ksi s ALA 60 Ca 0.86 -0.49 0.35 0.00 0.00 0.00 0.00 51.96 52.67 2ksi s ALA 60 Cb -0.12 -2.20 1.78 0.00 0.00 0.00 0.00 23.12 22.58 2ksi s ALA 60 CO 0.10 0.63 2.16 0.93 0.00 0.00 0.00 175.76 179.59 2ksi h GLU 61 N 2.81 0.00 -3.52 0.00 3.07 -1.81 -3.41 114.58 111.73 2ksi h GLU 61 Ca -0.46 0.00 -0.37 0.00 -0.50 0.00 0.00 59.36 58.03 2ksi h GLU 61 Cb 1.17 0.00 -0.37 0.00 -0.84 0.00 0.00 28.75 28.71 2ksi h GLU 61 CO 0.72 0.05 -0.75 0.00 -1.40 0.00 0.00 179.01 177.63 2ksi s ALA 62 N -4.09 0.32 -0.23 3.43 0.00 -1.25 -4.66 121.76 115.29 2ksi s ALA 62 Ca -0.03 0.14 -0.10 0.00 0.00 0.00 0.00 51.96 51.97 2ksi s ALA 62 Cb 0.12 -0.52 -0.05 0.00 0.00 0.00 0.00 23.12 22.68 2ksi s ALA 62 CO 0.52 -0.33 0.13 0.99 0.00 0.00 0.00 175.76 177.07 2ksi s THR 63 N 1.70 5.15 -0.30 0.00 2.01 0.23 -2.00 115.64 122.44 2ksi s THR 63 Ca -0.01 0.11 0.03 0.00 0.31 0.00 0.00 61.69 62.13 2ksi s THR 63 Cb -0.13 -3.39 0.08 0.00 0.01 0.00 0.00 72.50 69.08 2ksi s THR 63 CO -0.03 0.37 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.49 2ksi s LEU 64 N 0.95 3.93 -0.22 4.42 1.43 0.67 -0.75 118.68 129.11 2ksi s LEU 64 Ca 0.07 -1.74 -0.09 0.00 -1.03 0.00 0.00 54.13 51.34 2ksi s LEU 64 Cb -0.13 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 2ksi s LEU 64 CO 0.03 -0.29 0.11 -0.89 0.23 0.00 0.00 176.35 175.55 2ksi s THR 65 N 1.06 5.06 -0.17 5.49 2.01 -1.20 -2.15 115.64 125.75 2ksi s THR 65 Ca 0.01 0.07 -0.18 0.00 0.31 0.00 0.00 61.69 61.90 2ksi s THR 65 Cb -0.19 -3.33 0.05 0.00 0.01 0.00 0.00 72.50 69.04 2ksi s THR 65 CO -0.07 0.40 0.50 -0.04 -0.69 0.00 0.00 174.62 174.72 2ksi s MET 66 N 0.79 0.63 0.60 4.92 -1.94 -1.16 -3.95 119.30 119.19 2ksi s MET 66 Ca 0.06 0.60 -0.16 0.00 -1.71 0.00 0.00 55.69 54.48 2ksi s MET 66 Cb -0.13 0.30 -0.03 0.00 2.01 0.00 0.00 34.83 36.98 2ksi s MET 66 CO 0.02 -0.10 1.06 -1.21 -0.01 0.00 0.00 175.02 174.78 2ksi s GLU 67 N 0.03 3.29 0.15 2.03 2.02 -1.26 -4.14 118.70 120.82 2ksi s GLU 67 Ca -0.02 1.20 -0.26 0.00 0.02 0.00 0.00 54.97 55.91 2ksi s GLU 67 Cb -0.03 -2.03 -0.00 0.00 0.10 0.00 0.00 34.13 32.17 2ksi s GLU 67 CO 0.02 -0.83 1.60 0.22 0.02 0.00 0.00 175.26 176.29 2ksi h ASP 68 N 0.39 -1.10 -0.77 -0.19 3.58 -1.88 0.25 116.42 116.70 2ksi h ASP 68 Ca -0.47 0.17 0.22 0.00 0.42 0.00 0.00 57.03 57.38 2ksi h ASP 68 Cb 1.22 0.48 -0.03 0.00 1.72 0.00 0.00 39.33 42.72 2ksi h ASP 68 CO 0.57 -0.36 0.60 0.44 -2.88 0.00 0.00 179.24 177.61 2ksi h ASP 69 N -0.36 0.00 1.42 2.28 3.32 -1.93 0.68 116.42 121.83 2ksi h ASP 69 Ca 0.12 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 2ksi h ASP 69 Cb 0.56 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 2ksi h ASP 69 CO -0.43 0.00 -0.60 0.40 -1.72 0.00 0.00 179.24 176.89 2ksi h ILE 70 N 0.00 0.40 -0.32 0.35 1.08 -0.96 -3.12 117.51 114.95 2ksi h ILE 70 Ca 0.37 -1.62 -0.01 0.00 -0.39 0.00 0.00 64.86 63.21 2ksi h ILE 70 Cb 1.56 2.08 -0.01 0.00 -3.07 0.00 0.00 36.82 37.37 2ksi h ILE 70 CO -0.00 0.23 0.17 0.00 -0.69 0.00 0.00 178.15 177.86 2ksi h MET 71 N 0.00 0.45 0.00 2.37 -0.00 0.22 -0.47 114.93 117.49 2ksi h MET 71 Ca -0.03 -0.05 -0.15 0.00 -0.00 0.00 0.00 59.70 59.46 2ksi h MET 71 Cb 1.24 -0.09 -0.02 0.00 -0.00 0.00 0.00 31.60 32.73 2ksi h MET 71 CO 0.03 0.39 -0.72 0.27 -0.00 0.00 0.00 176.91 176.87 2ksi h PHE 72 N 0.39 0.00 0.63 -0.10 -5.15 -1.64 0.57 116.94 111.63 2ksi h PHE 72 Ca 0.11 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.85 2ksi h PHE 72 Cb 0.07 0.00 0.01 0.00 0.22 0.00 0.00 35.95 36.25 2ksi h PHE 72 CO -0.03 0.72 -0.30 0.00 -2.00 0.00 0.00 178.31 176.71 2ksi h ALA 73 N 1.28 -0.84 -0.01 12.09 0.00 -1.42 -3.09 119.26 127.27 2ksi h ALA 73 Ca -0.01 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.52 2ksi h ALA 73 Cb 1.41 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 2ksi h ALA 73 CO 0.09 -0.80 -0.85 0.82 0.00 0.00 0.00 179.25 178.52 2ksi h ILE 74 N -1.19 1.48 -0.93 0.00 2.04 -1.21 0.09 117.51 117.79 2ksi h ILE 74 Ca -0.09 -2.54 0.18 0.00 1.00 0.00 0.00 64.86 63.41 2ksi h ILE 74 Cb 0.67 2.41 -0.11 0.00 -0.74 0.00 0.00 36.82 39.05 2ksi h ILE 74 CO 0.14 0.74 0.51 1.23 0.00 0.00 0.00 178.15 180.77 2ksi h GLY 75 N 1.79 1.60 -2.74 5.37 0.00 -0.96 0.26 103.07 108.39 2ksi h GLY 75 Ca -0.04 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.01 2ksi h GLY 75 CO 0.13 -0.10 0.00 -0.37 0.00 0.00 0.00 176.54 176.20 2ksi n THR 76 N -4.86 1.31 -2.41 4.70 5.66 -1.17 -4.80 114.28 112.71 2ksi n THR 76 Ca 0.21 -1.01 -0.19 0.00 -3.05 0.00 0.00 64.05 60.01 2ksi n THR 76 Cb 0.55 0.29 -0.01 0.00 -1.55 0.00 0.00 70.33 69.60 2ksi n THR 76 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2ksi n GLY 77 N 1.36 -0.50 0.25 1.09 0.00 0.93 -4.87 105.19 103.44 2ksi n GLY 77 Ca 0.24 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.12 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 0.50 -2.57 4.61 0.00 -1.20 -3.45 119.26 118.16 2ksi h ALA 78 Ca -0.45 -0.45 -0.59 0.00 0.00 0.00 0.00 54.91 53.42 2ksi h ALA 78 Cb 1.33 -0.10 -0.16 0.00 0.00 0.00 0.00 17.79 18.86 2ksi h ALA 78 CO 0.53 0.60 -0.78 -0.51 0.00 0.00 0.00 179.25 179.09 2ksi s LEU 79 N -8.89 2.52 -0.16 0.00 1.43 -1.21 -5.05 118.68 107.33 2ksi s LEU 79 Ca -0.11 -0.96 -0.29 0.00 -1.03 0.00 0.00 54.13 51.73 2ksi s LEU 79 Cb 0.10 -1.04 -0.03 0.00 0.03 0.00 0.00 46.19 45.25 2ksi s LEU 79 CO 0.87 0.03 1.57 -2.16 0.23 0.00 0.00 176.35 176.88 2ksi s PRO 80 N -3.21 4.00 0.29 1.29 0.04 -1.26 -4.67 135.00 131.48 2ksi s PRO 80 Ca 0.25 1.83 -0.02 0.00 0.04 0.00 0.00 61.00 63.10 2ksi s PRO 80 Cb -0.05 -3.97 0.44 0.00 0.04 0.00 0.00 34.50 30.95 2ksi s PRO 80 CO 0.12 -1.05 1.96 0.00 0.04 0.00 0.00 177.00 178.06 2ksi h ALA 81 N 9.91 1.42 0.05 8.56 0.00 -1.97 -0.76 119.26 136.46 2ksi h ALA 81 Ca -0.34 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2ksi h ALA 81 Cb 1.15 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2ksi h ALA 81 CO 0.98 0.53 -0.02 -0.22 0.00 0.00 0.00 179.25 180.51 2ksi h LYS 82 N 1.13 -0.06 -0.45 0.00 3.64 -1.99 -2.45 116.57 116.38 2ksi h LYS 82 Ca 0.32 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.70 2ksi h LYS 82 Cb -0.08 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 2ksi h LYS 82 CO -0.08 0.08 0.26 1.49 -2.27 0.00 0.00 179.45 178.92 2ksi h GLU 83 N -0.19 0.63 -0.43 1.90 4.81 -1.89 0.27 114.58 119.67 2ksi h GLU 83 Ca -0.01 -0.07 0.09 0.00 -0.13 0.00 0.00 59.36 59.24 2ksi h GLU 83 Cb 0.17 -0.13 -0.08 0.00 0.63 0.00 0.00 28.75 29.34 2ksi h GLU 83 CO 0.01 0.49 -0.13 0.00 -0.73 0.00 0.00 179.01 178.64 2ksi h ALA 84 N 1.11 0.25 0.00 2.92 0.00 -1.04 -0.45 119.26 122.04 2ksi h ALA 84 Ca 0.16 0.17 -0.12 0.00 0.00 0.00 0.00 54.91 55.12 2ksi h ALA 84 Cb 0.03 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2ksi h ALA 84 CO -0.03 -0.47 -0.55 0.52 0.00 0.00 0.00 179.25 178.72 2ksi h MET 85 N -0.03 0.00 -0.15 0.00 2.86 -1.24 -3.11 114.93 113.27 2ksi h MET 85 Ca 0.21 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 2ksi h MET 85 Cb 0.35 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 2ksi h MET 85 CO -0.46 0.55 0.05 0.00 1.06 0.00 0.00 176.91 178.11 2ksi h ALA 86 N 1.45 1.81 -0.41 6.32 0.00 0.11 -1.39 119.26 127.16 2ksi h ALA 86 Ca -0.01 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 2ksi h ALA 86 Cb 1.23 -0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.84 2ksi h ALA 86 CO 0.07 0.15 0.24 1.04 0.00 0.00 0.00 179.25 180.76 2ksi n GLN 87 N -4.46 1.75 -2.19 0.00 6.02 -0.68 -4.83 117.38 112.98 2ksi n GLN 87 Ca -0.01 -1.34 -0.08 0.00 -0.01 0.00 0.00 57.00 55.56 2ksi n GLN 87 Cb 0.12 -1.58 -0.01 0.00 1.02 0.00 0.00 30.24 29.79 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 -0.14 -2.72 -0.45 1.08 8.00 -0.52 -4.76 116.55 117.05 2ksi n ASP 88 Ca 0.24 0.28 0.11 0.00 0.71 0.00 0.00 54.79 56.13 2ksi n ASP 88 Cb 0.96 -2.43 0.45 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 -2.44 1.59 -3.53 -1.24 5.02 -1.18 -4.87 118.16 111.51 2ksi n LYS 89 Ca -0.09 -0.88 -0.16 0.00 -2.02 0.00 0.00 58.31 55.15 2ksi n LYS 89 Cb 0.51 -1.40 -0.05 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 -1.86 1.07 -0.25 1.97 -1.94 -1.26 -4.85 119.30 112.17 2ksi s MET 90 Ca 0.33 0.04 0.01 0.00 -1.71 0.00 0.00 55.69 54.36 2ksi s MET 90 Cb 0.18 0.50 0.07 0.00 2.01 0.00 0.00 34.83 37.58 2ksi s MET 90 CO 0.27 -0.36 -0.03 -1.21 -0.01 0.00 0.00 175.02 173.68 2ksi s GLU 91 N -1.81 1.56 0.04 2.03 8.01 -1.25 -4.86 118.70 122.43 2ksi s GLU 91 Ca -0.08 -1.11 0.09 0.00 0.01 0.00 0.00 54.97 53.87 2ksi s GLU 91 Cb -0.01 -2.62 -0.03 0.00 -4.31 0.00 0.00 34.13 27.17 2ksi s GLU 91 CO 0.04 -0.66 -0.25 0.14 0.01 0.00 0.00 175.26 174.54 2ksi s VAL 92 N 1.35 2.01 -0.17 2.63 -7.23 -1.26 -3.22 120.40 114.51 2ksi s VAL 92 Ca -0.03 -1.33 -0.02 0.00 -1.81 0.00 0.00 61.98 58.79 2ksi s VAL 92 Cb -0.19 -1.72 0.05 0.00 0.56 0.00 0.00 36.38 35.08 2ksi s VAL 92 CO -0.08 0.33 0.01 -1.81 -0.31 0.00 0.00 175.10 173.25 2ksi s ASP 93 N -1.20 2.71 0.00 4.85 1.01 0.07 -5.01 116.67 119.10 2ksi s ASP 93 Ca 0.11 -0.69 0.00 0.00 0.71 0.00 0.00 52.55 52.68 2ksi s ASP 93 Cb -0.10 -0.64 0.00 0.00 1.01 0.00 0.00 42.92 43.20 2ksi s ASP 93 CO 0.02 -0.27 0.00 0.61 0.21 0.00 0.00 175.17 175.74 2ksi n GLY 94 N 5.03 1.65 3.60 0.21 0.00 -1.26 0.76 105.19 115.18 2ksi n GLY 94 Ca -0.09 -0.97 -0.48 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.67 1.85 -0.31 1.61 -0.06 -1.26 -4.82 117.38 113.71 2ksi n GLN 95 Ca 0.00 0.61 0.16 0.00 -2.00 0.00 0.00 57.00 55.77 2ksi n GLN 95 Cb 0.00 -2.72 0.33 0.00 -4.06 0.00 0.00 30.24 23.79 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 6.25 0.18 -0.16 1.69 2.07 -1.99 0.25 116.25 124.54 2ksi h VAL 96 Ca -0.41 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.10 2ksi h VAL 96 Cb 1.28 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 2ksi h VAL 96 CO 0.97 0.02 -0.05 -0.33 0.02 0.00 0.00 177.57 178.21 2ksi h GLU 97 N 0.12 -0.01 -0.42 1.57 5.08 -1.96 0.29 114.58 119.25 2ksi h GLU 97 Ca 0.61 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 59.05 2ksi h GLU 97 Cb 1.31 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.47 2ksi h GLU 97 CO -0.75 -0.01 -0.31 -0.07 -1.00 0.00 0.00 179.01 176.87 2ksi h LEU 98 N -0.01 -1.04 -1.20 1.33 3.38 -0.87 0.26 115.31 117.16 2ksi h LEU 98 Ca 0.08 0.19 -0.05 0.00 0.09 0.00 0.00 57.88 58.19 2ksi h LEU 98 Cb 0.13 0.50 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2ksi h LEU 98 CO -0.17 -0.31 -0.23 0.16 0.09 0.00 0.00 178.44 177.99 2ksi h ILE 99 N -0.23 0.58 0.00 1.22 3.07 -1.20 -2.49 117.51 118.46 2ksi h ILE 99 Ca 0.18 -1.08 0.00 0.00 1.55 0.00 0.00 64.86 65.51 2ksi h ILE 99 Cb 0.53 1.73 0.00 0.00 -0.27 0.00 0.00 36.82 38.81 2ksi h ILE 99 CO -0.55 0.22 0.00 0.15 -1.05 0.00 0.00 178.15 176.92 2ksi h PHE 100 N 0.00 0.00 -0.01 0.16 3.57 0.27 -3.12 116.94 117.80 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 0.71 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 2ksi h PHE 100 CO 0.00 0.00 -0.81 -0.07 -2.23 0.00 0.00 178.31 175.20 2ksi h LEU 101 N 0.00 0.24 -0.16 0.59 -0.00 -0.19 -3.06 115.31 112.73 2ksi h LEU 101 Ca 0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 57.88 57.70 2ksi h LEU 101 Cb 0.65 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.24 2ksi h LEU 101 CO 0.00 0.95 -0.28 0.18 -0.00 0.00 0.00 178.44 179.29 2ksi n LEU 102 N -3.70 0.52 0.11 1.67 4.32 -1.18 -4.06 117.00 114.67 2ksi n LEU 102 Ca -0.03 0.03 -0.13 0.00 -0.02 0.00 0.00 56.01 55.85 2ksi n LEU 102 Cb 0.76 -0.25 -0.08 0.00 -1.62 0.00 0.00 43.42 42.23 2ksi n LEU 102 CO 0.47 0.11 0.71 -0.33 -1.22 0.00 0.00 177.39 177.13 2ksi h GLU 103 N 0.38 -0.23 0.00 3.23 5.08 -1.52 -1.98 114.58 119.55 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 0.47 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2ksi h GLU 103 CO 0.00 -0.01 0.00 -0.35 -1.00 0.00 0.00 179.01 177.65 2ksi n PRO 104 N -5.11 0.07 0.01 2.33 -0.04 -1.26 -2.04 135.00 128.96 2ksi n PRO 104 Ca -0.09 0.22 0.11 0.00 -0.04 0.00 0.00 63.50 63.70 2ksi n PRO 104 Cb 0.18 -1.50 -0.09 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 -1.42 0.17 -0.33 0.54 3.72 -1.00 -4.31 117.46 114.82 2ksi n PHE 105 Ca 0.05 0.05 0.04 0.00 -0.05 0.00 0.00 57.45 57.53 2ksi n PHE 105 Cb 0.15 -0.43 0.19 0.00 -0.94 0.00 0.00 39.48 38.45 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 0.97 -0.49 4.37 2.04 -0.77 -1.74 117.51 121.89 2ksi h ILE 106 Ca 0.00 -0.33 -0.13 0.00 1.00 0.00 0.00 64.86 65.40 2ksi h ILE 106 Cb 0.83 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 2ksi h ILE 106 CO 0.00 0.18 -0.20 0.00 0.00 0.00 0.00 178.15 178.13 2ksi h ALA 107 N 1.48 0.69 -1.02 1.87 0.00 -1.75 -2.95 119.26 117.57 2ksi h ALA 107 Ca 0.44 -0.39 0.26 0.00 0.00 0.00 0.00 54.91 55.22 2ksi h ALA 107 Cb 0.34 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.89 2ksi h ALA 107 CO -0.23 0.67 0.68 0.77 0.00 0.00 0.00 179.25 181.14 2ksi h SER 108 N 0.86 0.32 -2.58 0.00 0.02 -1.52 -3.42 113.55 107.23 2ksi h SER 108 Ca 0.11 0.05 -0.48 0.00 -0.84 0.00 0.00 61.79 60.64 2ksi h SER 108 Cb 0.78 -0.00 0.23 0.00 0.14 0.00 0.00 62.40 63.55 2ksi h SER 108 CO 0.06 0.08 -0.97 0.18 -1.14 0.00 0.00 176.83 175.04 2ksi n LEU 109 N -4.50 -1.82 0.00 5.07 4.77 -1.12 -5.06 117.00 114.35 2ksi n LEU 109 Ca 0.23 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2ksi n LEU 109 Cb 0.91 -1.02 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2ksi n LEU 109 CO 0.30 -3.24 0.00 0.29 -1.33 0.00 0.00 177.39 173.41