#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 1.05 1.02 7.83 1.04 -1.26 -5.14 113.70 118.23 2ksi s SER 2 Ca 0.00 -0.15 -0.12 0.00 0.48 0.00 0.00 55.95 56.17 2ksi s SER 2 Cb 0.00 -0.49 0.20 0.00 0.10 0.00 0.00 66.02 65.83 2ksi s SER 2 CO 0.00 -0.05 1.08 -0.76 0.98 0.00 0.00 173.24 174.49 2ksi s LEU 3 N 0.91 1.78 0.05 2.42 1.43 -1.26 -4.92 118.68 119.09 2ksi s LEU 3 Ca -0.11 1.66 -0.32 0.00 -1.03 0.00 0.00 54.13 54.33 2ksi s LEU 3 Cb -0.14 -3.85 -0.18 0.00 0.03 0.00 0.00 46.19 42.04 2ksi s LEU 3 CO 0.00 -3.42 1.45 0.11 0.23 0.00 0.00 176.35 174.72 2ksi h LYS 4 N -2.09 -0.95 -1.37 1.70 6.56 -2.01 -2.61 116.57 115.80 2ksi h LYS 4 Ca -0.53 0.07 0.40 0.00 -1.06 0.00 0.00 60.65 59.52 2ksi h LYS 4 Cb 1.30 0.22 -0.05 0.00 -0.57 0.00 0.00 32.23 33.12 2ksi h LYS 4 CO 0.50 -0.62 1.02 0.66 -2.06 0.00 0.00 179.45 178.95 2ksi h SER 5 N -1.10 0.00 -0.26 0.86 4.64 -1.93 0.16 113.55 115.92 2ksi h SER 5 Ca -0.10 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.27 2ksi h SER 5 Cb 0.78 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.81 2ksi h SER 5 CO 0.17 0.00 -0.10 -0.78 -0.87 0.00 0.00 176.83 175.25 2ksi h ASP 6 N 0.00 -0.34 -0.98 4.97 1.82 -1.82 -1.44 116.42 118.63 2ksi h ASP 6 Ca 0.65 0.09 0.11 0.00 -0.39 0.00 0.00 57.03 57.50 2ksi h ASP 6 Cb 2.69 0.20 -0.08 0.00 0.68 0.00 0.00 39.33 42.82 2ksi h ASP 6 CO -0.01 -0.13 0.61 -0.08 -1.61 0.00 0.00 179.24 178.03 2ksi h GLU 7 N -0.05 0.95 0.52 0.28 4.81 -0.76 -2.52 114.58 117.81 2ksi h GLU 7 Ca 0.13 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 2ksi h GLU 7 Cb 0.25 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 2ksi h GLU 7 CO -0.29 0.63 -0.42 0.28 -0.73 0.00 0.00 179.01 178.48 2ksi h VAL 8 N 0.98 0.16 -0.90 0.32 2.07 -1.31 -1.91 116.25 115.67 2ksi h VAL 8 Ca 0.48 0.00 0.21 0.00 0.82 0.00 0.00 66.70 68.21 2ksi h VAL 8 Cb 0.46 0.16 -0.12 0.00 -1.52 0.00 0.00 31.29 30.27 2ksi h VAL 8 CO -0.26 0.00 0.42 -0.26 0.02 0.00 0.00 177.57 177.49 2ksi h PHE 9 N -0.93 0.71 -0.26 1.57 0.04 -1.05 0.12 116.94 117.13 2ksi h PHE 9 Ca -0.06 0.04 0.02 0.00 2.80 0.00 0.00 57.97 60.77 2ksi h PHE 9 Cb 0.79 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.74 2ksi h PHE 9 CO -0.17 0.01 0.13 0.00 -0.60 0.00 0.00 178.31 177.68 2ksi h ALA 10 N 1.68 0.32 -0.20 2.45 0.00 -1.05 -2.00 119.26 120.46 2ksi h ALA 10 Ca 0.55 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.50 2ksi h ALA 10 Cb 0.99 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 2ksi h ALA 10 CO -0.49 -0.26 -0.04 0.87 0.00 0.00 0.00 179.25 179.33 2ksi h LYS 11 N 0.28 0.01 -0.46 0.00 1.79 -0.21 0.33 116.57 118.30 2ksi h LYS 11 Ca 0.11 -0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.65 2ksi h LYS 11 Cb 0.03 -0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.61 2ksi h LYS 11 CO -0.07 0.00 0.10 0.82 -1.08 0.00 0.00 179.45 179.23 2ksi h ILE 12 N 0.01 0.76 0.25 1.86 2.04 -1.13 0.63 117.51 121.92 2ksi h ILE 12 Ca 0.09 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 2ksi h ILE 12 Cb 0.14 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 2ksi h ILE 12 CO -0.20 0.04 -0.12 0.00 0.00 0.00 0.00 178.15 177.88 2ksi h ALA 13 N 1.35 -0.33 -0.35 1.87 0.00 -0.89 -2.67 119.26 118.24 2ksi h ALA 13 Ca 0.23 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.06 2ksi h ALA 13 Cb 0.29 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2ksi h ALA 13 CO -0.29 -0.53 0.36 1.57 0.00 0.00 0.00 179.25 180.36 2ksi h LYS 14 N -0.65 0.00 0.00 0.00 2.10 -0.11 0.20 116.57 118.11 2ksi h LYS 14 Ca -0.03 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.42 2ksi h LYS 14 Cb 0.46 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.78 2ksi h LYS 14 CO 0.06 0.00 -0.88 -0.09 -2.00 0.00 0.00 179.45 176.54 2ksi h ARG 15 N 0.00 0.20 0.00 0.07 1.12 -0.64 -3.15 114.38 111.97 2ksi h ARG 15 Ca 0.17 -0.22 -0.04 0.00 -1.11 0.00 0.00 59.98 58.77 2ksi h ARG 15 Cb 0.89 0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.91 2ksi h ARG 15 CO -0.00 0.96 -0.20 -0.07 -3.11 0.00 0.00 179.97 177.54 2ksi h LEU 16 N 0.11 0.00 -2.22 3.80 3.38 -0.26 -2.20 115.31 117.92 2ksi h LEU 16 Ca -0.05 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.96 2ksi h LEU 16 Cb 1.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 2ksi h LEU 16 CO 0.13 0.20 0.26 -0.33 0.09 0.00 0.00 178.44 178.80 2ksi h GLU 17 N 0.00 0.00 0.00 1.13 5.08 -1.48 0.25 114.58 119.56 2ksi h GLU 17 Ca -0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 2ksi h GLU 17 Cb 0.39 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2ksi h GLU 17 CO 0.03 0.00 -0.75 1.03 -1.00 0.00 0.00 179.01 178.32 2ksi h SER 18 N 0.00 0.00 -0.95 1.42 0.87 -1.58 -3.44 113.55 109.87 2ksi h SER 18 Ca 0.07 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 60.05 2ksi h SER 18 Cb 0.58 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.51 2ksi h SER 18 CO -0.00 0.75 1.56 -0.38 -0.53 0.00 0.00 176.83 178.23 2ksi n ILE 19 N -3.45 0.06 -3.53 2.23 5.41 0.88 -4.92 119.36 116.05 2ksi n ILE 19 Ca 0.00 -0.34 -0.30 0.00 1.00 0.00 0.00 62.75 63.10 2ksi n ILE 19 Cb 0.78 -1.67 -0.04 0.00 -0.71 0.00 0.00 39.64 37.99 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 9.08 6.51 0.34 4.38 1.11 -1.25 -5.00 116.67 131.84 2ksi s ASP 20 Ca 1.13 0.69 0.13 0.00 0.18 0.00 0.00 52.55 54.68 2ksi s ASP 20 Cb -0.78 -2.13 0.62 0.00 1.07 0.00 0.00 42.92 41.70 2ksi s ASP 20 CO 0.43 -0.05 1.75 1.55 1.18 0.00 0.00 175.17 180.03 2ksi h PRO 21 N 2.40 0.00 0.00 8.23 0.13 -2.00 -2.58 132.00 138.18 2ksi h PRO 21 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2ksi h PRO 21 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2ksi h PRO 21 CO 0.70 0.45 0.00 0.00 -0.23 0.00 0.00 178.00 178.92 2ksi n ALA 22 N -2.42 2.22 -3.15 -0.56 0.00 -1.26 -4.51 120.51 110.84 2ksi n ALA 22 Ca -0.01 -0.12 0.04 0.00 0.00 0.00 0.00 53.44 53.35 2ksi n ALA 22 Cb 0.49 -1.37 -0.01 0.00 0.00 0.00 0.00 19.45 18.56 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 -2.40 -1.21 0.00 0.00 3.04 -0.97 -5.17 114.94 108.23 2ksi s ASN 23 Ca 0.25 0.39 0.00 0.00 0.04 0.00 0.00 52.86 53.55 2ksi s ASN 23 Cb 0.15 1.87 0.00 0.00 -1.54 0.00 0.00 41.25 41.73 2ksi s ASN 23 CO 0.32 -0.22 0.00 0.54 -3.04 0.00 0.00 177.10 174.70 2ksi n ARG 24 N 5.38 1.64 -2.86 0.43 5.12 -1.24 -3.79 116.66 121.34 2ksi n ARG 24 Ca 0.02 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 55.92 2ksi n ARG 24 Cb 0.54 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.84 2ksi n ARG 24 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 2ksi s GLN 25 N -1.82 0.80 0.32 5.56 2.00 -1.26 -5.10 119.66 120.16 2ksi s GLN 25 Ca 0.00 -0.63 0.00 0.00 -2.00 0.00 0.00 55.36 52.73 2ksi s GLN 25 Cb 0.00 0.00 0.00 0.00 0.80 0.00 0.00 33.01 33.81 2ksi s GLN 25 CO 0.00 -1.03 0.00 1.55 -0.50 0.00 0.00 175.29 175.31 2ksi n VAL 26 N 3.34 -3.57 -3.71 1.34 3.14 -1.26 -5.02 118.33 112.59 2ksi n VAL 26 Ca 0.14 1.64 -0.13 0.00 -2.96 0.00 0.00 64.34 63.03 2ksi n VAL 26 Cb 0.58 -2.22 -0.14 0.00 -1.06 0.00 0.00 33.84 31.01 2ksi n VAL 26 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 2ksi s GLU 27 N -2.84 0.15 0.33 1.45 4.04 -1.26 -5.13 118.70 115.45 2ksi s GLU 27 Ca 0.00 0.54 -0.18 0.00 0.04 0.00 0.00 54.97 55.38 2ksi s GLU 27 Cb 0.00 -0.13 0.05 0.00 0.02 0.00 0.00 34.13 34.07 2ksi s GLU 27 CO 0.00 -0.20 0.81 -1.01 -1.84 0.00 0.00 175.26 173.02 2ksi s HIS 28 N 1.58 0.05 -0.17 4.83 3.76 -1.26 -5.03 115.29 119.03 2ksi s HIS 28 Ca -0.06 -0.64 -0.23 0.00 -0.15 0.00 0.00 55.06 53.98 2ksi s HIS 28 Cb -0.11 0.79 -0.02 0.00 1.11 0.00 0.00 32.58 34.35 2ksi s HIS 28 CO -0.08 -1.41 0.72 0.08 -0.85 0.00 0.00 174.74 173.21 2ksi s VAL 29 N -2.63 4.96 0.43 -0.90 1.01 -1.26 -4.20 120.40 117.81 2ksi s VAL 29 Ca 0.15 1.40 0.07 0.00 0.00 0.00 0.00 61.98 63.61 2ksi s VAL 29 Cb -0.05 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 2ksi s VAL 29 CO 0.10 0.09 0.31 -0.31 0.00 0.00 0.00 175.10 175.28 2ksi s TYR 30 N 1.91 2.53 -0.04 5.22 2.02 -1.23 -2.41 117.35 125.35 2ksi s TYR 30 Ca 0.34 -0.57 0.02 0.00 -0.37 0.00 0.00 57.07 56.49 2ksi s TYR 30 Cb -0.16 -2.06 0.01 0.00 -0.40 0.00 0.00 41.96 39.34 2ksi s TYR 30 CO 0.12 -0.06 -0.09 0.21 -1.57 0.00 0.00 175.55 174.16 2ksi s LYS 31 N -4.07 1.16 -0.15 -0.62 2.20 -0.38 -3.34 119.74 114.54 2ksi s LYS 31 Ca 0.44 -0.31 -0.01 0.00 -0.36 0.00 0.00 55.97 55.73 2ksi s LYS 31 Cb -0.00 -1.04 0.04 0.00 -1.51 0.00 0.00 37.83 35.31 2ksi s LYS 31 CO 0.25 0.07 -0.04 -0.06 -0.36 0.00 0.00 175.35 175.20 2ksi s PHE 32 N 0.43 1.49 -0.13 4.03 0.40 0.13 -0.24 117.98 124.08 2ksi s PHE 32 Ca -0.07 -0.90 -0.05 0.00 -0.60 0.00 0.00 56.93 55.31 2ksi s PHE 32 Cb -0.12 -1.22 -0.04 0.00 0.51 0.00 0.00 43.02 42.16 2ksi s PHE 32 CO 0.01 -0.57 0.04 1.03 0.70 0.00 0.00 175.22 176.44 2ksi s ARG 33 N 1.71 3.44 -0.64 0.44 0.52 -0.42 0.93 118.95 124.92 2ksi s ARG 33 Ca 0.02 -0.34 -0.04 0.00 -0.52 0.00 0.00 55.73 54.85 2ksi s ARG 33 Cb -0.15 -3.01 0.17 0.00 0.52 0.00 0.00 34.95 32.48 2ksi s ARG 33 CO -0.08 0.55 0.47 0.42 0.02 0.00 0.00 175.30 176.68 2ksi s ILE 34 N -0.43 3.87 0.15 1.52 -1.09 -0.92 -1.34 121.20 122.97 2ksi s ILE 34 Ca 0.09 -2.93 0.03 0.00 -2.23 0.00 0.00 60.65 55.62 2ksi s ILE 34 Cb -0.12 -3.51 -0.04 0.00 -1.58 0.00 0.00 42.46 37.21 2ksi s ILE 34 CO 0.02 -0.89 0.22 0.42 -1.23 0.00 0.00 174.94 173.48 2ksi s THR 35 N -0.06 4.99 -0.36 2.92 -4.23 -1.02 -2.02 115.64 115.86 2ksi s THR 35 Ca 0.17 -0.83 0.02 0.00 -1.18 0.00 0.00 61.69 59.88 2ksi s THR 35 Cb -0.19 -3.55 0.11 0.00 1.34 0.00 0.00 72.50 70.20 2ksi s THR 35 CO -0.04 -0.08 0.11 0.00 -0.54 0.00 0.00 174.62 174.07 2ksi s GLN 36 N -3.13 1.23 0.00 3.99 -2.07 -0.39 -3.94 119.66 115.36 2ksi s GLN 36 Ca 0.33 -1.68 0.00 0.00 -1.82 0.00 0.00 55.36 52.19 2ksi s GLN 36 Cb -0.11 -2.69 0.00 0.00 -1.09 0.00 0.00 33.01 29.12 2ksi s GLN 36 CO 0.26 -1.00 0.00 0.41 -1.32 0.00 0.00 175.29 173.65 2ksi n GLY 37 N 4.27 2.69 0.00 2.60 0.00 -1.26 -4.15 105.19 109.34 2ksi n GLY 37 Ca 0.03 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 3.88 -0.02 0.00 -1.26 -5.14 105.19 102.64 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 -1.59 0.00 0.00 0.00 173.32 171.73 2ksi s LYS 39 N -0.13 3.29 0.44 1.61 -2.85 -1.26 -5.02 119.74 115.83 2ksi s LYS 39 Ca 0.00 -0.47 -0.20 0.00 -1.00 0.00 0.00 55.97 54.30 2ksi s LYS 39 Cb 0.00 -2.97 -0.10 0.00 -2.06 0.00 0.00 37.83 32.70 2ksi s LYS 39 CO 0.00 0.62 0.94 0.54 0.10 0.00 0.00 175.35 177.55 2ksi s VAL 40 N -1.42 4.44 0.00 1.79 0.11 -1.26 -1.26 120.40 122.80 2ksi s VAL 40 Ca 0.31 1.39 0.00 0.00 -2.93 0.00 0.00 61.98 60.75 2ksi s VAL 40 Cb -0.13 -3.63 0.00 0.00 -1.53 0.00 0.00 36.38 31.09 2ksi s VAL 40 CO 0.24 -0.40 0.00 1.33 -3.33 0.00 0.00 175.10 172.94 2ksi n VAL 41 N -0.84 0.00 -3.47 2.04 0.24 -0.86 -4.90 118.33 110.54 2ksi n VAL 41 Ca 0.07 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.24 2ksi n VAL 41 Cb 0.54 0.36 -0.03 0.00 -1.47 0.00 0.00 33.84 33.23 2ksi n VAL 41 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2ksi s LYS 42 N -1.48 1.08 0.22 7.34 3.01 -1.21 -5.07 119.74 123.63 2ksi s LYS 42 Ca 0.00 -0.20 0.07 0.00 -1.01 0.00 0.00 55.97 54.83 2ksi s LYS 42 Cb 0.00 0.50 -0.04 0.00 -1.01 0.00 0.00 37.83 37.28 2ksi s LYS 42 CO 0.00 -0.43 0.11 0.54 0.51 0.00 0.00 175.35 176.08 2ksi s ASN 43 N -2.16 5.21 -0.05 2.83 2.20 -1.26 -2.17 114.94 119.54 2ksi s ASN 43 Ca -0.02 -0.32 -0.06 0.00 -0.94 0.00 0.00 52.86 51.52 2ksi s ASN 43 Cb -0.01 -1.24 0.01 0.00 -2.00 0.00 0.00 41.25 38.01 2ksi s ASN 43 CO -0.05 0.02 0.16 0.26 -2.94 0.00 0.00 177.10 174.55 2ksi s TRP 44 N -2.00 -0.13 0.00 1.54 0.51 0.26 -2.58 118.94 116.55 2ksi s TRP 44 Ca 0.31 0.32 0.04 0.00 -2.12 0.00 0.00 56.10 54.65 2ksi s TRP 44 Cb -0.08 0.04 -0.01 0.00 -0.81 0.00 0.00 33.47 32.60 2ksi s TRP 44 CO 0.22 -0.13 -0.14 0.08 -0.51 0.00 0.00 176.95 176.48 2ksi s VAL 45 N -0.23 1.09 -0.40 4.03 1.01 0.13 0.17 120.40 126.21 2ksi s VAL 45 Ca -0.03 -0.70 -0.13 0.00 0.00 0.00 0.00 61.98 61.12 2ksi s VAL 45 Cb -0.03 -0.93 0.03 0.00 0.00 0.00 0.00 36.38 35.45 2ksi s VAL 45 CO 0.01 0.22 0.27 -0.32 0.00 0.00 0.00 175.10 175.28 2ksi s MET 46 N -0.54 2.90 -1.04 2.72 1.75 -1.21 -1.73 119.30 122.15 2ksi s MET 46 Ca 0.04 -1.07 -0.18 0.00 -1.25 0.00 0.00 55.69 53.23 2ksi s MET 46 Cb -0.06 -3.89 0.12 0.00 2.84 0.00 0.00 34.83 33.84 2ksi s MET 46 CO -0.00 -0.75 1.30 -0.51 -0.65 0.00 0.00 175.02 174.41 2ksi s ASP 47 N 1.68 6.73 0.00 1.11 1.01 -0.05 -3.58 116.67 123.57 2ksi s ASP 47 Ca 0.04 -2.20 0.24 0.00 0.71 0.00 0.00 52.55 51.34 2ksi s ASP 47 Cb -0.19 -2.44 1.06 0.00 1.01 0.00 0.00 42.92 42.35 2ksi s ASP 47 CO 0.08 -1.07 1.78 0.18 0.21 0.00 0.00 175.17 176.35 2ksi n LEU 48 N 6.88 0.00 -0.07 1.23 4.32 -1.26 -1.24 117.00 126.86 2ksi n LEU 48 Ca 0.31 0.47 -0.10 0.00 -0.02 0.00 0.00 56.01 56.66 2ksi n LEU 48 Cb 0.48 -0.47 -0.08 0.00 -1.62 0.00 0.00 43.42 41.73 2ksi n LEU 48 CO 0.58 -0.08 0.02 0.11 -1.22 0.00 0.00 177.39 176.79 2ksi h LYS 49 N 0.00 0.00 -0.00 3.23 1.57 -1.86 -3.35 116.57 116.15 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 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2ksi h LYS 49 CO 0.00 0.60 -0.13 -1.71 -0.57 0.00 0.00 179.45 177.64 2ksi n ASN 50 N -4.62 0.41 -2.48 0.86 2.85 -1.24 -4.93 115.26 106.11 2ksi n ASN 50 Ca -0.11 -0.42 -0.13 0.00 -0.11 0.00 0.00 54.58 53.81 2ksi n ASN 50 Cb 0.36 -0.10 0.05 0.00 1.24 0.00 0.00 39.78 41.33 2ksi n ASN 50 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 2ksi n VAL 51 N -1.07 -2.69 -3.98 3.44 0.31 -0.55 -5.03 118.33 108.77 2ksi n VAL 51 Ca 0.13 -0.13 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 2ksi n VAL 51 Cb 0.29 -3.50 -0.07 0.00 -0.91 0.00 0.00 33.84 29.66 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 -5.41 1.29 -0.04 5.55 1.02 -0.37 -4.74 119.74 117.03 2ksi s LYS 52 Ca 0.21 -1.21 0.05 0.00 0.02 0.00 0.00 55.97 55.04 2ksi s LYS 52 Cb -0.09 0.40 -0.02 0.00 -0.52 0.00 0.00 37.83 37.60 2ksi s LYS 52 CO 0.46 -0.49 -0.20 -0.51 -0.92 0.00 0.00 175.35 173.69 2ksi s LEU 53 N -2.99 2.41 0.13 3.17 1.02 -1.26 -0.87 118.68 120.29 2ksi s LEU 53 Ca 0.20 -0.33 0.01 0.00 0.02 0.00 0.00 54.13 54.02 2ksi s LEU 53 Cb 0.02 -1.46 -0.04 0.00 0.02 0.00 0.00 46.19 44.73 2ksi s LEU 53 CO 0.03 0.32 0.00 0.68 0.02 0.00 0.00 176.35 177.40 2ksi s VAL 54 N -0.58 0.47 -0.46 -1.59 -7.23 -0.70 -4.96 120.40 105.35 2ksi s VAL 54 Ca 0.08 -1.93 -0.17 0.00 -1.81 0.00 0.00 61.98 58.16 2ksi s VAL 54 Cb -0.11 -1.94 0.05 0.00 0.56 0.00 0.00 36.38 34.94 2ksi s VAL 54 CO 0.00 -0.61 0.44 -1.83 -0.31 0.00 0.00 175.10 172.79 2ksi s GLU 55 N -3.94 3.03 0.09 4.82 1.03 -1.26 0.22 118.70 122.70 2ksi s GLU 55 Ca 0.20 -1.09 -0.26 0.00 0.03 0.00 0.00 54.97 53.84 2ksi s GLU 55 Cb 0.07 -4.07 0.08 0.00 -0.80 0.00 0.00 34.13 29.40 2ksi s GLU 55 CO 0.00 -1.00 0.94 -1.12 -1.33 0.00 0.00 175.26 172.75 2ksi s SER 56 N 2.33 -0.24 -0.14 0.83 0.01 -1.06 -4.83 113.70 110.60 2ksi s SER 56 Ca 0.08 -0.25 -0.00 0.00 1.31 0.00 0.00 55.95 57.09 2ksi s SER 56 Cb -0.21 0.44 0.03 0.00 0.21 0.00 0.00 66.02 66.49 2ksi s SER 56 CO 0.10 -0.79 -0.08 -0.62 0.41 0.00 0.00 173.24 172.26 2ksi s ASP 57 N -2.78 2.52 0.14 2.44 2.15 -1.26 -1.32 116.67 118.56 2ksi s ASP 57 Ca 0.10 -0.47 -0.09 0.00 0.43 0.00 0.00 52.55 52.51 2ksi s ASP 57 Cb -0.01 -0.94 -0.00 0.00 -0.30 0.00 0.00 42.92 41.66 2ksi s ASP 57 CO -0.02 -0.13 0.26 -1.81 -0.17 0.00 0.00 175.17 173.30 2ksi s ASP 58 N 1.63 0.05 -0.80 -0.34 1.01 -1.26 -5.08 116.67 111.88 2ksi s ASP 58 Ca 0.03 -0.77 -0.25 0.00 0.71 0.00 0.00 52.55 52.28 2ksi s ASP 58 Cb -0.14 0.41 -0.07 0.00 1.01 0.00 0.00 42.92 44.13 2ksi s ASP 58 CO -0.09 -0.84 2.08 0.00 0.21 0.00 0.00 175.17 176.54 2ksi s ALA 59 N -3.92 1.49 0.27 5.23 0.00 -1.26 -4.88 121.76 118.70 2ksi s ALA 59 Ca 0.12 -1.08 -0.02 0.00 0.00 0.00 0.00 51.96 50.98 2ksi s ALA 59 Cb 0.04 -4.51 -0.04 0.00 0.00 0.00 0.00 23.12 18.61 2ksi s ALA 59 CO -0.04 -4.93 0.50 0.00 0.00 0.00 0.00 175.76 171.29 2ksi s ALA 60 N 11.27 3.71 0.03 0.00 0.00 -1.26 -4.97 121.76 130.53 2ksi s ALA 60 Ca 0.77 -0.74 0.30 0.00 0.00 0.00 0.00 51.96 52.30 2ksi s ALA 60 Cb -0.10 -2.15 1.51 0.00 0.00 0.00 0.00 23.12 22.38 2ksi s ALA 60 CO 0.07 0.24 1.92 0.93 0.00 0.00 0.00 175.76 178.92 2ksi h GLU 61 N 1.56 0.00 -2.95 0.00 3.07 -1.83 -3.40 114.58 111.02 2ksi h GLU 61 Ca -0.48 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.17 2ksi h GLU 61 Cb 1.20 0.00 -0.31 0.00 -0.84 0.00 0.00 28.75 28.79 2ksi h GLU 61 CO 0.66 0.00 -0.52 0.00 -1.40 0.00 0.00 179.01 177.75 2ksi s ALA 62 N -3.68 -0.53 -0.21 3.43 0.00 -1.26 -4.54 121.76 114.96 2ksi s ALA 62 Ca -0.01 0.94 -0.10 0.00 0.00 0.00 0.00 51.96 52.79 2ksi s ALA 62 Cb 0.09 -0.83 -0.05 0.00 0.00 0.00 0.00 23.12 22.33 2ksi s ALA 62 CO 0.36 -0.44 0.14 0.99 0.00 0.00 0.00 175.76 176.81 2ksi s THR 63 N 1.89 5.35 -0.28 0.00 2.01 0.15 -1.25 115.64 123.51 2ksi s THR 63 Ca -0.03 0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.15 2ksi s THR 63 Cb -0.11 -3.46 0.08 0.00 0.01 0.00 0.00 72.50 69.02 2ksi s THR 63 CO -0.08 0.41 0.01 -0.76 -0.69 0.00 0.00 174.62 173.50 2ksi s LEU 64 N 0.62 3.12 -0.17 4.42 1.02 0.67 -1.04 118.68 127.31 2ksi s LEU 64 Ca 0.08 -1.56 -0.11 0.00 0.02 0.00 0.00 54.13 52.55 2ksi s LEU 64 Cb -0.12 -1.24 -0.05 0.00 0.02 0.00 0.00 46.19 44.80 2ksi s LEU 64 CO 0.00 -0.32 0.20 -0.89 0.02 0.00 0.00 176.35 175.37 2ksi s THR 65 N 1.30 5.37 0.14 5.49 2.01 -1.06 -1.30 115.64 127.60 2ksi s THR 65 Ca 0.02 0.34 -0.21 0.00 0.31 0.00 0.00 61.69 62.15 2ksi s THR 65 Cb -0.19 -3.53 0.06 0.00 0.01 0.00 0.00 72.50 68.85 2ksi s THR 65 CO -0.11 0.44 0.54 -0.04 -0.69 0.00 0.00 174.62 174.76 2ksi s MET 66 N 0.22 1.20 0.36 4.92 -1.94 -0.45 -3.99 119.30 119.63 2ksi s MET 66 Ca 0.12 -0.51 -0.02 0.00 -1.71 0.00 0.00 55.69 53.57 2ksi s MET 66 Cb -0.12 0.55 -0.04 0.00 2.01 0.00 0.00 34.83 37.23 2ksi s MET 66 CO 0.01 -0.51 0.60 -1.21 -0.01 0.00 0.00 175.02 173.91 2ksi s GLU 67 N -3.65 3.54 0.12 2.03 2.02 -1.25 -2.43 118.70 119.08 2ksi s GLU 67 Ca 0.01 -0.12 -0.29 0.00 0.02 0.00 0.00 54.97 54.60 2ksi s GLU 67 Cb -0.00 -2.59 -0.06 0.00 0.10 0.00 0.00 34.13 31.57 2ksi s GLU 67 CO -0.12 0.09 1.60 0.22 0.02 0.00 0.00 175.26 177.07 2ksi h ASP 68 N 0.91 -1.12 -0.88 -0.19 3.58 -1.91 -0.79 116.42 116.02 2ksi h ASP 68 Ca -0.49 0.14 0.15 0.00 0.42 0.00 0.00 57.03 57.25 2ksi h ASP 68 Cb 1.21 0.45 -0.07 0.00 1.72 0.00 0.00 39.33 42.63 2ksi h ASP 68 CO 0.63 -0.42 0.57 0.44 -2.88 0.00 0.00 179.24 177.57 2ksi h ASP 69 N -0.52 0.62 -0.60 2.28 3.32 -1.95 -0.90 116.42 118.66 2ksi h ASP 69 Ca 0.06 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 2ksi h ASP 69 Cb 0.61 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 2ksi h ASP 69 CO -0.30 0.31 0.32 0.40 -1.72 0.00 0.00 179.24 178.25 2ksi h ILE 70 N 0.65 1.20 -1.00 0.35 1.08 -1.57 -2.47 117.51 115.75 2ksi h ILE 70 Ca 0.44 -0.52 0.20 0.00 -0.39 0.00 0.00 64.86 64.60 2ksi h ILE 70 Cb 0.76 0.44 -0.10 0.00 -3.07 0.00 0.00 36.82 34.85 2ksi h ILE 70 CO -0.20 0.22 0.61 0.24 -0.69 0.00 0.00 178.15 178.33 2ksi h MET 71 N 0.81 0.67 -0.06 2.37 2.86 -0.21 0.37 114.93 121.75 2ksi h MET 71 Ca 0.21 -0.04 -0.11 0.00 -2.06 0.00 0.00 59.70 57.69 2ksi h MET 71 Cb 0.06 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 2ksi h MET 71 CO -0.03 0.44 -0.49 0.35 1.06 0.00 0.00 176.91 178.24 2ksi h PHE 72 N 0.69 0.17 0.17 -0.22 3.57 -1.41 0.54 116.94 120.46 2ksi h PHE 72 Ca 0.58 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 62.01 2ksi h PHE 72 Cb 0.99 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.70 2ksi h PHE 72 CO -0.00 0.61 -0.08 0.00 -2.23 0.00 0.00 178.31 176.60 2ksi h ALA 73 N 1.38 -0.23 -0.14 2.41 0.00 -0.20 -3.13 119.26 119.36 2ksi h ALA 73 Ca 0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2ksi h ALA 73 Cb 0.91 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 2ksi h ALA 73 CO 0.07 -0.22 -0.17 0.82 0.00 0.00 0.00 179.25 179.75 2ksi h ILE 74 N -1.05 1.36 -0.99 0.00 2.04 -0.77 0.31 117.51 118.41 2ksi h ILE 74 Ca -0.02 -1.37 0.22 0.00 1.00 0.00 0.00 64.86 64.69 2ksi h ILE 74 Cb 0.23 1.94 -0.09 0.00 -0.74 0.00 0.00 36.82 38.16 2ksi h ILE 74 CO 0.04 0.40 0.63 1.23 0.00 0.00 0.00 178.15 180.45 2ksi h GLY 75 N -0.03 1.32 0.96 5.37 0.00 -0.05 0.34 103.07 110.98 2ksi h GLY 75 Ca 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2ksi h GLY 75 CO 0.04 -0.08 -0.68 -1.30 0.00 0.00 0.00 176.54 174.53 2ksi n THR 76 N -4.65 0.18 -1.73 4.70 -2.24 -1.18 -4.64 114.28 104.73 2ksi n THR 76 Ca 0.23 -0.17 -0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2ksi n THR 76 Cb 0.73 0.09 -0.00 0.00 -2.10 0.00 0.00 70.33 69.05 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 1.40 0.37 0.23 3.38 0.00 0.12 -4.89 105.19 105.81 2ksi n GLY 77 Ca 0.04 -0.94 -0.17 0.00 0.00 0.00 0.00 46.02 44.95 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 0.01 0.36 -3.59 4.61 0.00 -0.66 -3.45 119.26 116.53 2ksi h ALA 78 Ca -0.00 -0.57 -0.66 0.00 0.00 0.00 0.00 54.91 53.68 2ksi h ALA 78 Cb 0.73 -0.04 -0.21 0.00 0.00 0.00 0.00 17.79 18.28 2ksi h ALA 78 CO 0.00 0.68 -0.85 -0.51 0.00 0.00 0.00 179.25 178.57 2ksi s LEU 79 N -8.53 2.36 0.09 0.00 1.43 -1.23 -5.05 118.68 107.77 2ksi s LEU 79 Ca -0.11 -0.79 -0.31 0.00 -1.03 0.00 0.00 54.13 51.89 2ksi s LEU 79 Cb 0.09 -1.15 -0.07 0.00 0.03 0.00 0.00 46.19 45.08 2ksi s LEU 79 CO 0.90 0.14 1.38 -2.16 0.23 0.00 0.00 176.35 176.84 2ksi s PRO 80 N -2.30 4.32 0.44 1.29 0.04 -1.26 -4.64 135.00 132.89 2ksi s PRO 80 Ca 0.16 2.04 0.17 0.00 0.04 0.00 0.00 61.00 63.41 2ksi s PRO 80 Cb -0.09 -3.31 1.00 0.00 0.04 0.00 0.00 34.50 32.15 2ksi s PRO 80 CO 0.07 -0.44 1.94 0.00 0.04 0.00 0.00 177.00 178.61 2ksi h ALA 81 N 6.97 1.46 0.31 8.56 0.00 -1.98 -0.83 119.26 133.74 2ksi h ALA 81 Ca -0.42 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 2ksi h ALA 81 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2ksi h ALA 81 CO 0.87 0.30 -0.15 0.87 0.00 0.00 0.00 179.25 181.14 2ksi h LYS 82 N 0.00 -0.40 -0.56 0.00 1.57 -1.99 -2.85 116.57 112.34 2ksi h LYS 82 Ca -0.00 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2ksi h LYS 82 Cb 0.46 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 2ksi h LYS 82 CO 0.03 -0.09 0.35 1.49 -0.57 0.00 0.00 179.45 180.66 2ksi h GLU 83 N -0.97 0.75 -0.39 3.15 4.22 -1.96 0.27 114.58 119.65 2ksi h GLU 83 Ca -0.04 -0.06 0.08 0.00 0.08 0.00 0.00 59.36 59.42 2ksi h GLU 83 Cb 0.49 -0.16 -0.08 0.00 0.50 0.00 0.00 28.75 29.50 2ksi h GLU 83 CO 0.07 0.53 -0.16 0.00 -2.18 0.00 0.00 179.01 177.27 2ksi h ALA 84 N 1.18 0.16 0.00 2.92 0.00 -1.24 -0.59 119.26 121.70 2ksi h ALA 84 Ca 0.20 0.15 -0.11 0.00 0.00 0.00 0.00 54.91 55.15 2ksi h ALA 84 Cb -0.04 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2ksi h ALA 84 CO -0.04 -0.52 -0.53 0.52 0.00 0.00 0.00 179.25 178.69 2ksi h MET 85 N -0.08 0.00 -0.28 0.00 2.86 -1.27 -3.05 114.93 113.11 2ksi h MET 85 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 2ksi h MET 85 Cb 0.37 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 2ksi h MET 85 CO -0.44 0.53 0.18 0.00 1.06 0.00 0.00 176.91 178.24 2ksi h ALA 86 N 1.47 1.79 -0.46 6.32 0.00 0.11 -1.12 119.26 127.37 2ksi h ALA 86 Ca -0.01 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 2ksi h ALA 86 Cb 1.22 -0.12 -0.13 0.00 0.00 0.00 0.00 17.79 18.76 2ksi h ALA 86 CO 0.07 0.19 0.27 1.04 0.00 0.00 0.00 179.25 180.82 2ksi n GLN 87 N -4.49 1.85 -2.19 0.00 6.02 -0.72 -4.84 117.38 113.01 2ksi n GLN 87 Ca 0.01 -1.50 -0.08 0.00 -0.01 0.00 0.00 57.00 55.42 2ksi n GLN 87 Cb 0.07 -1.64 -0.01 0.00 1.02 0.00 0.00 30.24 29.69 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 -0.21 -2.67 -0.33 1.08 -0.08 -0.42 -4.75 116.55 109.16 2ksi n ASP 88 Ca 0.27 0.28 0.11 0.00 -1.51 0.00 0.00 54.79 53.95 2ksi n ASP 88 Cb 1.02 -2.40 0.51 0.00 2.34 0.00 0.00 41.12 42.60 2ksi n ASP 88 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 2ksi n LYS 89 N -2.43 1.44 -3.64 -0.67 0.00 -1.16 -4.85 118.16 106.86 2ksi n LYS 89 Ca -0.09 -0.66 -0.16 0.00 0.00 0.00 0.00 58.31 57.41 2ksi n LYS 89 Cb 0.50 -1.39 -0.07 0.00 0.00 0.00 0.00 35.03 34.06 2ksi n LYS 89 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.40 178.81 2ksi s MET 90 N -1.91 0.85 -0.28 1.64 1.75 -1.26 -4.93 119.30 115.17 2ksi s MET 90 Ca 0.34 0.10 0.02 0.00 -1.25 0.00 0.00 55.69 54.91 2ksi s MET 90 Cb 0.17 0.40 0.06 0.00 2.84 0.00 0.00 34.83 38.30 2ksi s MET 90 CO 0.27 -0.25 -0.07 -1.21 -0.65 0.00 0.00 175.02 173.12 2ksi s GLU 91 N -1.13 2.17 -0.01 4.11 0.41 -1.26 -4.88 118.70 118.11 2ksi s GLU 91 Ca -0.11 -1.41 0.05 0.00 -0.41 0.00 0.00 54.97 53.08 2ksi s GLU 91 Cb -0.03 -2.99 -0.01 0.00 -1.78 0.00 0.00 34.13 29.32 2ksi s GLU 91 CO 0.07 -0.64 -0.16 0.14 -0.49 0.00 0.00 175.26 174.18 2ksi s VAL 92 N 1.10 1.29 -0.18 2.63 -7.23 -1.26 -2.57 120.40 114.19 2ksi s VAL 92 Ca -0.05 -0.70 -0.01 0.00 -1.81 0.00 0.00 61.98 59.41 2ksi s VAL 92 Cb -0.20 -1.08 0.05 0.00 0.56 0.00 0.00 36.38 35.71 2ksi s VAL 92 CO -0.05 0.37 -0.02 -1.81 -0.31 0.00 0.00 175.10 173.28 2ksi s ASP 93 N -0.35 2.91 0.00 4.85 1.01 -0.21 -5.02 116.67 119.86 2ksi s ASP 93 Ca 0.06 -0.75 0.00 0.00 0.71 0.00 0.00 52.55 52.57 2ksi s ASP 93 Cb -0.07 -0.80 0.00 0.00 1.01 0.00 0.00 42.92 43.06 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 4.93 1.67 3.67 0.21 0.00 -1.26 0.31 105.19 114.72 2ksi n GLY 94 Ca -0.10 -0.96 -0.49 0.00 0.00 0.00 0.00 46.02 44.46 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 2.07 -0.36 1.61 -0.06 -1.26 -4.81 117.38 113.90 2ksi n GLN 95 Ca 0.00 0.75 0.30 0.00 -2.00 0.00 0.00 57.00 56.05 2ksi n GLN 95 Cb 0.00 -2.63 0.56 0.00 -4.06 0.00 0.00 30.24 24.11 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 5.59 0.15 -0.00 1.69 2.07 -1.99 0.39 116.25 124.16 2ksi h VAL 96 Ca -0.47 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 2ksi h VAL 96 Cb 1.28 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2ksi h VAL 96 CO 0.95 0.03 0.00 -0.33 0.02 0.00 0.00 177.57 178.24 2ksi h GLU 97 N 0.15 0.00 -0.37 1.57 5.08 -1.96 0.68 114.58 119.73 2ksi h GLU 97 Ca 0.80 -0.00 0.07 0.00 -1.00 0.00 0.00 59.36 59.23 2ksi h GLU 97 Cb 2.12 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 31.28 2ksi h GLU 97 CO -0.60 0.17 -0.35 -0.07 -1.00 0.00 0.00 179.01 177.16 2ksi h LEU 98 N -0.16 -1.15 -1.34 1.33 3.38 -0.58 0.42 115.31 117.21 2ksi h LEU 98 Ca 0.00 0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 2ksi h LEU 98 Cb 0.16 0.53 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 2ksi h LEU 98 CO -0.00 -0.34 -0.00 0.16 0.09 0.00 0.00 178.44 178.35 2ksi h ILE 99 N -0.29 0.01 0.00 1.22 -0.00 -1.45 -2.43 117.51 114.58 2ksi h ILE 99 Ca 0.16 -0.56 0.00 0.00 -0.00 0.00 0.00 64.86 64.46 2ksi h ILE 99 Cb 0.55 1.55 0.00 0.00 -0.00 0.00 0.00 36.82 38.93 2ksi h ILE 99 CO -0.53 0.00 -0.24 0.33 -0.00 0.00 0.00 178.15 177.72 2ksi n PHE 100 N -3.10 0.56 0.05 0.16 7.35 0.84 -3.43 117.46 119.89 2ksi n PHE 100 Ca 0.01 0.16 -0.15 0.00 -0.76 0.00 0.00 57.45 56.71 2ksi n PHE 100 Cb 0.33 -0.71 -0.05 0.00 0.35 0.00 0.00 39.48 39.39 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 0.68 -0.44 -2.13 -0.00 0.16 -3.11 115.31 110.46 2ksi h LEU 101 Ca 0.00 -0.52 0.00 0.00 -0.00 0.00 0.00 57.88 57.36 2ksi h LEU 101 Cb 0.67 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 41.13 2ksi h LEU 101 CO 0.00 1.31 -0.12 0.18 -0.00 0.00 0.00 178.44 179.81 2ksi n LEU 102 N -3.81 0.81 0.11 1.67 4.32 -1.24 -4.06 117.00 114.80 2ksi n LEU 102 Ca -0.08 -0.18 -0.13 0.00 -0.02 0.00 0.00 56.01 55.60 2ksi n LEU 102 Cb 0.82 -0.11 -0.08 0.00 -1.62 0.00 0.00 43.42 42.43 2ksi n LEU 102 CO 0.52 0.14 0.70 -0.33 -1.22 0.00 0.00 177.39 177.21 2ksi h GLU 103 N 1.08 -0.25 0.00 3.23 5.08 -1.56 -2.59 114.58 119.58 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 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2ksi h GLU 103 CO 0.00 -0.02 0.00 -0.35 -1.00 0.00 0.00 179.01 177.64 2ksi n PRO 104 N -5.12 0.17 0.05 2.33 -0.04 -1.26 -2.02 135.00 129.10 2ksi n PRO 104 Ca -0.09 0.17 0.11 0.00 -0.04 0.00 0.00 63.50 63.65 2ksi n PRO 104 Cb 0.19 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.14 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 -1.33 0.45 -0.32 0.54 3.01 -1.00 -4.20 117.46 114.61 2ksi n PHE 105 Ca 0.06 0.13 0.03 0.00 1.01 0.00 0.00 57.45 58.68 2ksi n PHE 105 Cb 0.13 -0.62 0.17 0.00 -0.01 0.00 0.00 39.48 39.15 2ksi n PHE 105 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 2ksi h ILE 106 N 0.00 0.98 -0.62 4.37 2.04 -1.13 -1.88 117.51 121.27 2ksi h ILE 106 Ca 0.00 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 2ksi h ILE 106 Cb 0.86 -0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 2ksi h ILE 106 CO 0.00 0.17 0.32 0.00 0.00 0.00 0.00 178.15 178.64 2ksi h ALA 107 N 1.45 0.80 -0.47 1.87 0.00 -1.76 -2.04 119.26 119.11 2ksi h ALA 107 Ca 0.41 -0.12 0.14 0.00 0.00 0.00 0.00 54.91 55.34 2ksi h ALA 107 Cb 0.29 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2ksi h ALA 107 CO -0.22 0.33 0.53 0.77 0.00 0.00 0.00 179.25 180.67 2ksi h SER 108 N 0.85 0.00 -3.98 0.00 0.02 -1.56 -3.41 113.55 105.47 2ksi h SER 108 Ca 0.22 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.72 2ksi h SER 108 Cb 0.07 0.00 0.15 0.00 0.14 0.00 0.00 62.40 62.77 2ksi h SER 108 CO -0.03 0.00 0.24 -0.76 -1.14 0.00 0.00 176.83 175.13 2ksi s LEU 109 N -7.26 1.68 0.00 5.07 1.43 -0.77 -4.98 118.68 113.86 2ksi s LEU 109 Ca -0.04 0.99 0.00 0.00 -1.03 0.00 0.00 54.13 54.05 2ksi s LEU 109 Cb 0.15 -3.17 0.00 0.00 0.03 0.00 0.00 46.19 43.20 2ksi s LEU 109 CO 0.53 -3.01 0.18 1.17 0.23 0.00 0.00 176.35 175.45