#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 3.89 1.28 3.17 0.01 -1.26 -5.12 113.70 115.68 2ksi s SER 2 Ca 0.00 -0.30 -0.20 0.00 1.31 0.00 0.00 55.95 56.76 2ksi s SER 2 Cb 0.00 -1.22 0.31 0.00 0.21 0.00 0.00 66.02 65.31 2ksi s SER 2 CO 0.00 0.25 0.69 0.18 0.41 0.00 0.00 173.24 174.76 2ksi n LEU 3 N 2.98 -0.64 -0.49 2.44 4.77 -1.26 -4.49 117.00 120.31 2ksi n LEU 3 Ca -0.18 -0.69 0.40 0.00 -0.03 0.00 0.00 56.01 55.51 2ksi n LEU 3 Cb 0.52 -0.90 0.70 0.00 -2.33 0.00 0.00 43.42 41.41 2ksi n LEU 3 CO 0.28 -4.09 1.32 0.11 -1.33 0.00 0.00 177.39 173.67 2ksi h LYS 4 N -3.32 0.07 -1.21 3.23 1.79 -2.00 0.46 116.57 115.60 2ksi h LYS 4 Ca -0.32 -0.00 0.35 0.00 -2.18 0.00 0.00 60.65 58.50 2ksi h LYS 4 Cb 1.06 -0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 31.65 2ksi h LYS 4 CO 0.19 0.04 1.03 0.66 -1.08 0.00 0.00 179.45 180.29 2ksi h SER 5 N 0.07 0.00 -0.49 0.86 4.64 -1.85 0.27 113.55 117.05 2ksi h SER 5 Ca 0.81 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 62.21 2ksi h SER 5 Cb 2.80 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 64.82 2ksi h SER 5 CO -0.25 0.00 0.10 -2.24 -0.87 0.00 0.00 176.83 173.58 2ksi h ASP 6 N 0.00 0.01 -0.96 4.97 2.03 -0.30 -0.81 116.42 121.36 2ksi h ASP 6 Ca 0.57 0.09 0.17 0.00 -0.73 0.00 0.00 57.03 57.13 2ksi h ASP 6 Cb 2.62 0.12 -0.09 0.00 -0.83 0.00 0.00 39.33 41.15 2ksi h ASP 6 CO -0.01 0.03 0.61 -0.08 -1.03 0.00 0.00 179.24 178.77 2ksi h GLU 7 N 0.24 0.71 0.01 4.15 4.57 -0.67 -2.46 114.58 121.13 2ksi h GLU 7 Ca 0.25 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.40 2ksi h GLU 7 Cb 0.33 -0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 28.71 2ksi h GLU 7 CO -0.32 0.47 -0.45 0.28 -1.18 0.00 0.00 179.01 177.82 2ksi h VAL 8 N 0.73 0.00 -0.84 0.32 2.07 -1.24 0.18 116.25 117.47 2ksi h VAL 8 Ca 0.51 0.00 0.17 0.00 0.82 0.00 0.00 66.70 68.20 2ksi h VAL 8 Cb 0.82 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.49 2ksi h VAL 8 CO -0.28 0.00 0.39 -0.26 0.02 0.00 0.00 177.57 177.44 2ksi h PHE 9 N -0.57 0.67 -0.52 1.57 0.04 -1.46 -0.30 116.94 116.37 2ksi h PHE 9 Ca 0.01 0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 2ksi h PHE 9 Cb 0.60 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.56 2ksi h PHE 9 CO -0.49 0.09 0.31 0.00 -0.60 0.00 0.00 178.31 177.63 2ksi h ALA 10 N 1.60 0.66 -0.15 2.45 0.00 -1.08 -1.88 119.26 120.87 2ksi h ALA 10 Ca 0.48 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.35 2ksi h ALA 10 Cb 0.76 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2ksi h ALA 10 CO -0.42 0.15 -0.05 0.87 0.00 0.00 0.00 179.25 179.80 2ksi h LYS 11 N 0.70 -0.01 -0.20 0.00 1.57 0.10 0.64 116.57 119.37 2ksi h LYS 11 Ca 0.19 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.00 2ksi h LYS 11 Cb -0.01 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 2ksi h LYS 11 CO -0.04 -0.01 0.02 0.82 -0.57 0.00 0.00 179.45 179.68 2ksi h ILE 12 N -0.01 0.90 0.29 1.86 2.04 -1.18 -2.05 117.51 119.36 2ksi h ILE 12 Ca 0.07 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 2ksi h ILE 12 Cb 0.13 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 2ksi h ILE 12 CO -0.16 0.02 -0.21 0.00 0.00 0.00 0.00 178.15 177.80 2ksi h ALA 13 N 1.15 -0.48 -0.40 1.87 0.00 -1.03 -1.54 119.26 118.84 2ksi h ALA 13 Ca 0.09 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.03 2ksi h ALA 13 Cb 0.09 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2ksi h ALA 13 CO -0.13 -0.79 0.46 -0.22 0.00 0.00 0.00 179.25 178.57 2ksi h LYS 14 N -0.50 0.00 0.01 0.00 3.64 -0.71 0.43 116.57 119.45 2ksi h LYS 14 Ca -0.02 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.16 2ksi h LYS 14 Cb 0.43 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 2ksi h LYS 14 CO 0.01 0.00 -0.91 -0.09 -2.27 0.00 0.00 179.45 176.18 2ksi h ARG 15 N 0.00 0.05 0.00 1.90 9.65 -0.55 -3.13 114.38 122.29 2ksi h ARG 15 Ca 0.19 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 59.00 2ksi h ARG 15 Cb 1.10 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.70 2ksi h ARG 15 CO -0.00 0.93 0.00 -0.07 2.80 0.00 0.00 179.97 183.62 2ksi h LEU 16 N 0.02 0.00 -2.56 3.80 3.38 0.32 -2.92 115.31 117.35 2ksi h LEU 16 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2ksi h LEU 16 Cb 1.60 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.35 2ksi h LEU 16 CO 0.12 0.00 0.14 -0.33 0.09 0.00 0.00 178.44 178.46 2ksi h GLU 17 N 0.00 0.00 0.00 1.13 5.08 -1.45 0.25 114.58 119.59 2ksi h GLU 17 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ksi h GLU 17 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2ksi h GLU 17 CO 0.00 0.00 -1.16 0.45 -1.00 0.00 0.00 179.01 177.30 2ksi n SER 18 N -3.10 0.69 -4.49 1.42 2.88 -1.10 -4.88 113.62 105.04 2ksi n SER 18 Ca -0.02 0.24 -0.44 0.00 -1.33 0.00 0.00 58.87 57.32 2ksi n SER 18 Cb 0.20 0.72 -0.07 0.00 -0.75 0.00 0.00 64.21 64.31 2ksi n SER 18 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2ksi n ILE 19 N -2.55 0.06 -4.56 2.46 5.41 0.88 -4.92 119.36 116.14 2ksi n ILE 19 Ca -0.00 -0.38 -0.32 0.00 1.00 0.00 0.00 62.75 63.04 2ksi n ILE 19 Cb 0.54 -1.78 -0.11 0.00 -0.71 0.00 0.00 39.64 37.58 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 9.31 4.46 0.35 4.38 1.11 -1.26 -5.01 116.67 130.02 2ksi s ASP 20 Ca 1.12 -0.16 0.27 0.00 0.18 0.00 0.00 52.55 53.95 2ksi s ASP 20 Cb -0.72 -1.01 1.12 0.00 1.07 0.00 0.00 42.92 43.38 2ksi s ASP 20 CO 0.41 0.30 1.80 1.55 1.18 0.00 0.00 175.17 180.41 2ksi h PRO 21 N 4.74 0.00 0.00 8.23 0.13 -2.02 -2.57 132.00 140.50 2ksi h PRO 21 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.52 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.29 2ksi n ALA 22 N -1.87 2.17 -3.15 -0.56 0.00 -1.26 -4.60 120.51 111.24 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 0.25 -1.37 -0.01 0.00 0.00 0.00 0.00 19.45 18.32 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 -2.56 -0.18 0.40 0.00 2.47 -0.97 -5.18 114.94 108.92 2ksi s ASN 23 Ca 0.22 0.06 0.01 0.00 0.42 0.00 0.00 52.86 53.57 2ksi s ASN 23 Cb 0.15 1.13 0.01 0.00 -1.45 0.00 0.00 41.25 41.09 2ksi s ASN 23 CO 0.34 -0.03 0.08 0.54 -3.72 0.00 0.00 177.10 174.31 2ksi n ARG 24 N 5.27 1.01 0.00 0.43 5.12 -1.25 -4.35 116.66 122.89 2ksi n ARG 24 Ca 0.01 -2.79 0.00 0.00 -1.93 0.00 0.00 57.85 53.14 2ksi n ARG 24 Cb 0.56 0.64 0.00 0.00 -1.16 0.00 0.00 32.46 32.50 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 -1.10 0.95 -3.50 5.56 1.13 -1.26 -5.09 117.38 114.07 2ksi n GLN 25 Ca -0.13 0.00 0.02 0.00 -1.94 0.00 0.00 57.00 54.96 2ksi n GLN 25 Cb 0.49 -0.90 -0.05 0.00 0.11 0.00 0.00 30.24 29.89 2ksi n GLN 25 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2ksi s VAL 26 N -1.80 -0.06 -0.19 5.09 0.11 -1.26 -5.15 120.40 117.14 2ksi s VAL 26 Ca 0.00 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.02 2ksi s VAL 26 Cb 0.00 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 2ksi s VAL 26 CO 0.00 0.00 -0.05 -1.61 -3.33 0.00 0.00 175.10 170.11 2ksi s GLU 27 N 1.48 3.49 0.10 1.54 2.02 -1.26 -5.08 118.70 120.99 2ksi s GLU 27 Ca -0.05 -0.59 -0.26 0.00 0.02 0.00 0.00 54.97 54.09 2ksi s GLU 27 Cb -0.02 -2.94 0.09 0.00 0.10 0.00 0.00 34.13 31.35 2ksi s GLU 27 CO -0.13 0.01 1.12 -1.01 0.02 0.00 0.00 175.26 175.27 2ksi s HIS 28 N 0.96 -0.00 -0.18 1.61 3.76 -1.26 -5.14 115.29 115.03 2ksi s HIS 28 Ca -0.00 -0.26 -0.07 0.00 -0.15 0.00 0.00 55.06 54.57 2ksi s HIS 28 Cb -0.15 0.63 -0.04 0.00 1.11 0.00 0.00 32.58 34.13 2ksi s HIS 28 CO 0.01 -0.65 0.06 0.08 -0.85 0.00 0.00 174.74 173.38 2ksi s VAL 29 N -2.44 4.74 0.06 -0.90 1.01 -1.26 -4.24 120.40 117.37 2ksi s VAL 29 Ca 0.19 -0.05 0.09 0.00 0.00 0.00 0.00 61.98 62.21 2ksi s VAL 29 Cb -0.00 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 2ksi s VAL 29 CO 0.02 0.46 -0.24 -0.31 0.00 0.00 0.00 175.10 175.03 2ksi s TYR 30 N 0.37 2.09 -0.02 5.22 1.51 -1.24 -2.84 117.35 122.44 2ksi s TYR 30 Ca 0.03 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.69 2ksi s TYR 30 Cb -0.12 -1.23 -0.04 0.00 -0.11 0.00 0.00 41.96 40.46 2ksi s TYR 30 CO 0.00 0.14 0.02 0.21 -1.11 0.00 0.00 175.55 174.81 2ksi s LYS 31 N -1.36 2.89 -0.07 -0.62 2.20 0.15 -0.72 119.74 122.21 2ksi s LYS 31 Ca 0.10 -0.53 0.01 0.00 -0.36 0.00 0.00 55.97 55.18 2ksi s LYS 31 Cb -0.10 -2.74 0.02 0.00 -1.51 0.00 0.00 37.83 33.51 2ksi s LYS 31 CO 0.03 0.65 -0.07 -0.06 -0.36 0.00 0.00 175.35 175.53 2ksi s PHE 32 N -1.06 1.16 -0.07 4.03 0.08 0.12 -1.00 117.98 121.25 2ksi s PHE 32 Ca 0.19 -0.45 0.01 0.00 0.12 0.00 0.00 56.93 56.79 2ksi s PHE 32 Cb -0.12 -0.96 -0.03 0.00 -0.57 0.00 0.00 43.02 41.34 2ksi s PHE 32 CO 0.09 -0.32 -0.07 1.03 -0.10 0.00 0.00 175.22 175.84 2ksi s ARG 33 N 1.18 2.73 -0.56 0.44 1.81 -0.40 0.83 118.95 124.98 2ksi s ARG 33 Ca -0.06 -0.56 0.01 0.00 -1.72 0.00 0.00 55.73 53.41 2ksi s ARG 33 Cb -0.14 -2.58 0.14 0.00 -0.45 0.00 0.00 34.95 31.92 2ksi s ARG 33 CO -0.02 0.66 0.33 0.42 -0.68 0.00 0.00 175.30 176.01 2ksi s ILE 34 N -0.81 3.05 0.33 1.52 -1.09 -1.01 -2.02 121.20 121.17 2ksi s ILE 34 Ca 0.12 -3.14 0.07 0.00 -2.23 0.00 0.00 60.65 55.47 2ksi s ILE 34 Cb -0.11 -3.06 -0.01 0.00 -1.58 0.00 0.00 42.46 37.70 2ksi s ILE 34 CO 0.01 -0.82 0.42 0.42 -1.23 0.00 0.00 174.94 173.74 2ksi s THR 35 N -0.16 3.94 -0.32 2.92 -4.23 -1.03 -2.99 115.64 113.77 2ksi s THR 35 Ca 0.17 -1.09 -0.01 0.00 -1.18 0.00 0.00 61.69 59.57 2ksi s THR 35 Cb -0.23 -3.36 0.11 0.00 1.34 0.00 0.00 72.50 70.36 2ksi s THR 35 CO -0.02 -0.16 0.13 0.00 -0.54 0.00 0.00 174.62 174.03 2ksi s GLN 36 N -4.13 0.61 0.00 3.99 -2.07 -0.83 -3.46 119.66 113.78 2ksi s GLN 36 Ca 0.44 -1.03 0.00 0.00 -1.82 0.00 0.00 55.36 52.94 2ksi s GLN 36 Cb -0.09 -1.75 0.00 0.00 -1.09 0.00 0.00 33.01 30.08 2ksi s GLN 36 CO 0.30 -1.03 0.00 0.41 -1.32 0.00 0.00 175.29 173.65 2ksi n GLY 37 N 4.78 2.63 0.00 2.60 0.00 -1.26 -4.12 105.19 109.83 2ksi n GLY 37 Ca -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 0.04 3.90 -0.02 0.00 -1.26 -5.14 105.19 102.70 2ksi n GLY 38 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2ksi n GLY 38 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ksi s LYS 39 N 0.00 3.53 0.39 1.61 2.20 -1.26 -5.04 119.74 121.17 2ksi s LYS 39 Ca 0.00 -0.19 -0.24 0.00 -0.36 0.00 0.00 55.97 55.18 2ksi s LYS 39 Cb 0.00 -3.04 -0.10 0.00 -1.51 0.00 0.00 37.83 33.18 2ksi s LYS 39 CO 0.00 0.62 0.99 0.08 -0.36 0.00 0.00 175.35 176.68 2ksi s VAL 40 N -1.39 4.03 0.00 4.02 1.01 -1.26 -1.96 120.40 124.85 2ksi s VAL 40 Ca 0.31 1.51 0.00 0.00 0.00 0.00 0.00 61.98 63.79 2ksi s VAL 40 Cb -0.13 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.50 2ksi s VAL 40 CO 0.20 -0.04 0.00 1.33 0.00 0.00 0.00 175.10 176.59 2ksi n VAL 41 N -0.06 0.00 -3.51 2.92 0.24 -1.16 -4.93 118.33 111.84 2ksi n VAL 41 Ca 0.05 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.20 2ksi n VAL 41 Cb 0.51 0.22 -0.05 0.00 -1.47 0.00 0.00 33.84 33.05 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 -1.54 0.99 0.16 7.34 3.01 -1.21 -5.08 119.74 123.41 2ksi s LYS 42 Ca 0.00 0.05 0.06 0.00 -1.01 0.00 0.00 55.97 55.07 2ksi s LYS 42 Cb 0.00 0.47 -0.04 0.00 -1.01 0.00 0.00 37.83 37.25 2ksi s LYS 42 CO 0.00 -0.35 0.08 0.54 0.51 0.00 0.00 175.35 176.14 2ksi s ASN 43 N -1.58 5.26 0.01 2.83 2.20 -1.26 -2.39 114.94 120.01 2ksi s ASN 43 Ca -0.06 -0.21 -0.07 0.00 -0.94 0.00 0.00 52.86 51.59 2ksi s ASN 43 Cb -0.00 -1.30 -0.00 0.00 -2.00 0.00 0.00 41.25 37.95 2ksi s ASN 43 CO 0.02 0.08 0.13 0.26 -2.94 0.00 0.00 177.10 174.66 2ksi s TRP 44 N -1.71 0.08 -0.02 1.54 0.51 0.24 -3.00 118.94 116.58 2ksi s TRP 44 Ca 0.30 -0.21 -0.02 0.00 -2.12 0.00 0.00 56.10 54.04 2ksi s TRP 44 Cb -0.10 -0.07 0.01 0.00 -0.81 0.00 0.00 33.47 32.50 2ksi s TRP 44 CO 0.22 -0.30 0.06 0.54 -0.51 0.00 0.00 176.95 176.96 2ksi s VAL 45 N -1.62 0.01 -0.30 4.03 0.11 -0.09 0.13 120.40 122.67 2ksi s VAL 45 Ca -0.13 -0.06 -0.12 0.00 -2.93 0.00 0.00 61.98 58.74 2ksi s VAL 45 Cb -0.07 -0.12 -0.04 0.00 -1.53 0.00 0.00 36.38 34.63 2ksi s VAL 45 CO 0.00 -0.03 0.23 -0.32 -3.33 0.00 0.00 175.10 171.65 2ksi s MET 46 N -0.07 3.83 -0.87 1.54 1.75 0.10 -2.16 119.30 123.42 2ksi s MET 46 Ca -0.01 -0.36 -0.16 0.00 -1.25 0.00 0.00 55.69 53.91 2ksi s MET 46 Cb -0.01 -3.70 0.19 0.00 2.84 0.00 0.00 34.83 34.14 2ksi s MET 46 CO 0.00 -0.27 0.90 0.34 -0.65 0.00 0.00 175.02 175.34 2ksi s ASP 47 N 1.74 6.72 0.00 1.11 -1.08 -1.07 -3.59 116.67 120.50 2ksi s ASP 47 Ca 0.08 -2.46 0.25 0.00 -0.52 0.00 0.00 52.55 49.90 2ksi s ASP 47 Cb -0.16 -2.28 1.43 0.00 -1.46 0.00 0.00 42.92 40.44 2ksi s ASP 47 CO 0.11 -0.75 1.85 0.18 0.52 0.00 0.00 175.17 177.08 2ksi n LEU 48 N 4.91 0.00 -0.07 -1.34 4.77 -1.26 -1.86 117.00 122.15 2ksi n LEU 48 Ca 0.18 0.08 -0.08 0.00 -0.03 0.00 0.00 56.01 56.15 2ksi n LEU 48 Cb 0.48 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.43 2ksi n LEU 48 CO 0.39 -0.02 -0.13 0.11 -1.33 0.00 0.00 177.39 176.42 2ksi h LYS 49 N 0.00 0.00 -0.00 3.23 1.57 -1.88 -3.37 116.57 116.12 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 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2ksi h LYS 49 CO 0.00 0.40 -0.19 -1.71 -0.57 0.00 0.00 179.45 177.38 2ksi n ASN 50 N -4.63 0.33 -2.24 0.86 2.85 -1.23 -4.94 115.26 106.26 2ksi n ASN 50 Ca -0.10 -0.12 -0.12 0.00 -0.11 0.00 0.00 54.58 54.12 2ksi n ASN 50 Cb 0.31 -0.12 0.05 0.00 1.24 0.00 0.00 39.78 41.26 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 -1.29 -2.22 -3.76 3.44 0.31 -0.78 -5.04 118.33 108.99 2ksi n VAL 51 Ca 0.09 -0.10 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 2ksi n VAL 51 Cb 0.32 -3.22 -0.10 0.00 -0.91 0.00 0.00 33.84 29.93 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 -5.38 0.53 0.03 5.55 2.20 -0.95 -4.81 119.74 116.91 2ksi s LYS 52 Ca 0.21 0.16 -0.16 0.00 -0.36 0.00 0.00 55.97 55.82 2ksi s LYS 52 Cb -0.09 0.24 -0.06 0.00 -1.51 0.00 0.00 37.83 36.41 2ksi s LYS 52 CO 0.40 -0.11 0.46 -0.51 -0.36 0.00 0.00 175.35 175.23 2ksi s LEU 53 N -0.53 4.48 0.13 5.43 1.02 -1.26 -2.58 118.68 125.36 2ksi s LEU 53 Ca -0.06 1.05 -0.02 0.00 0.02 0.00 0.00 54.13 55.12 2ksi s LEU 53 Cb -0.04 -2.71 -0.04 0.00 0.02 0.00 0.00 46.19 43.42 2ksi s LEU 53 CO 0.02 0.30 0.07 0.68 0.02 0.00 0.00 176.35 177.44 2ksi s VAL 54 N -1.11 0.10 -0.47 -1.59 -7.23 -0.92 -4.97 120.40 104.22 2ksi s VAL 54 Ca 0.26 -1.86 -0.14 0.00 -1.81 0.00 0.00 61.98 58.44 2ksi s VAL 54 Cb -0.17 -2.00 0.08 0.00 0.56 0.00 0.00 36.38 34.85 2ksi s VAL 54 CO 0.15 -0.47 0.37 -1.83 -0.31 0.00 0.00 175.10 173.01 2ksi s GLU 55 N -4.04 2.86 0.02 4.82 1.03 -1.26 -0.92 118.70 121.21 2ksi s GLU 55 Ca 0.23 -1.44 -0.28 0.00 0.03 0.00 0.00 54.97 53.50 2ksi s GLU 55 Cb 0.07 -4.05 0.10 0.00 -0.80 0.00 0.00 34.13 29.45 2ksi s GLU 55 CO 0.01 -1.05 0.93 -1.12 -1.33 0.00 0.00 175.26 172.70 2ksi s SER 56 N 2.60 -0.31 -0.19 0.83 0.01 -1.16 -4.83 113.70 110.65 2ksi s SER 56 Ca 0.04 -0.09 0.01 0.00 1.31 0.00 0.00 55.95 57.22 2ksi s SER 56 Cb -0.25 0.39 0.03 0.00 0.21 0.00 0.00 66.02 66.40 2ksi s SER 56 CO 0.05 -0.65 -0.15 1.51 0.41 0.00 0.00 173.24 174.40 2ksi s ASP 57 N -2.58 3.26 0.07 2.44 -4.77 -1.26 -2.06 116.67 111.77 2ksi s ASP 57 Ca 0.07 -0.77 -0.05 0.00 -3.30 0.00 0.00 52.55 48.50 2ksi s ASP 57 Cb -0.01 -1.36 -0.02 0.00 -1.09 0.00 0.00 42.92 40.44 2ksi s ASP 57 CO -0.06 -0.07 0.08 -1.81 0.70 0.00 0.00 175.17 174.01 2ksi s ASP 58 N 1.34 0.29 -0.74 2.11 1.11 -1.26 -5.07 116.67 114.45 2ksi s ASP 58 Ca 0.02 -0.80 -0.26 0.00 0.18 0.00 0.00 52.55 51.68 2ksi s ASP 58 Cb -0.15 0.27 -0.12 0.00 1.07 0.00 0.00 42.92 43.99 2ksi s ASP 58 CO -0.10 -0.65 2.39 0.00 1.18 0.00 0.00 175.17 177.99 2ksi s ALA 59 N -3.80 0.88 0.11 5.23 0.00 -1.26 -4.89 121.76 118.04 2ksi s ALA 59 Ca 0.05 -0.68 -0.03 0.00 0.00 0.00 0.00 51.96 51.30 2ksi s ALA 59 Cb 0.06 -4.54 -0.05 0.00 0.00 0.00 0.00 23.12 18.59 2ksi s ALA 59 CO -0.10 -5.63 0.32 0.00 0.00 0.00 0.00 175.76 170.34 2ksi s ALA 60 N 14.21 3.87 -0.15 0.00 0.00 -1.26 -4.97 121.76 133.46 2ksi s ALA 60 Ca 0.93 -0.66 0.26 0.00 0.00 0.00 0.00 51.96 52.49 2ksi s ALA 60 Cb -0.13 -2.02 1.30 0.00 0.00 0.00 0.00 23.12 22.26 2ksi s ALA 60 CO 0.11 0.73 1.80 1.49 0.00 0.00 0.00 175.76 179.88 2ksi h GLU 61 N 2.91 0.00 -2.93 0.00 4.57 -1.88 -3.40 114.58 113.85 2ksi h GLU 61 Ca -0.46 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 57.52 2ksi h GLU 61 Cb 1.16 0.00 -0.31 0.00 -0.16 0.00 0.00 28.75 29.44 2ksi h GLU 61 CO 0.74 0.00 -0.51 0.00 -1.18 0.00 0.00 179.01 178.06 2ksi s ALA 62 N -3.57 -0.56 -0.16 2.92 0.00 -1.23 -4.33 121.76 114.84 2ksi s ALA 62 Ca -0.00 0.97 -0.05 0.00 0.00 0.00 0.00 51.96 52.88 2ksi s ALA 62 Cb 0.08 -0.85 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 2ksi s ALA 62 CO 0.32 -0.44 0.01 0.99 0.00 0.00 0.00 175.76 176.64 2ksi s THR 63 N 1.91 4.38 -0.13 0.00 2.01 0.16 -0.68 115.64 123.28 2ksi s THR 63 Ca -0.03 -0.19 -0.00 0.00 0.31 0.00 0.00 61.69 61.77 2ksi s THR 63 Cb -0.11 -2.93 0.03 0.00 0.01 0.00 0.00 72.50 69.50 2ksi s THR 63 CO -0.09 0.50 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.51 2ksi s LEU 64 N 0.14 1.35 -0.12 4.42 1.02 -0.17 -1.46 118.68 123.86 2ksi s LEU 64 Ca 0.02 -0.44 -0.03 0.00 0.02 0.00 0.00 54.13 53.70 2ksi s LEU 64 Cb -0.13 -0.88 -0.03 0.00 0.02 0.00 0.00 46.19 45.17 2ksi s LEU 64 CO 0.02 -0.14 -0.01 -0.89 0.02 0.00 0.00 176.35 175.34 2ksi s THR 65 N 1.67 4.17 0.12 5.49 2.01 -1.22 -1.27 115.64 126.61 2ksi s THR 65 Ca 0.03 -0.28 -0.25 0.00 0.31 0.00 0.00 61.69 61.51 2ksi s THR 65 Cb -0.14 -2.79 0.07 0.00 0.01 0.00 0.00 72.50 69.65 2ksi s THR 65 CO -0.08 0.54 0.62 -0.04 -0.69 0.00 0.00 174.62 174.97 2ksi s MET 66 N -0.24 1.23 0.40 4.92 -1.94 -0.86 -4.30 119.30 118.52 2ksi s MET 66 Ca 0.05 -0.33 -0.00 0.00 -1.71 0.00 0.00 55.69 53.70 2ksi s MET 66 Cb -0.12 0.57 -0.02 0.00 2.01 0.00 0.00 34.83 37.26 2ksi s MET 66 CO 0.02 -0.52 0.62 -1.21 -0.01 0.00 0.00 175.02 173.93 2ksi s GLU 67 N -3.26 3.33 0.12 2.03 2.02 -1.26 -2.47 118.70 119.21 2ksi s GLU 67 Ca -0.01 -0.33 -0.32 0.00 0.02 0.00 0.00 54.97 54.33 2ksi s GLU 67 Cb -0.01 -2.59 -0.10 0.00 0.10 0.00 0.00 34.13 31.53 2ksi s GLU 67 CO -0.09 -0.05 1.56 0.22 0.02 0.00 0.00 175.26 176.92 2ksi h ASP 68 N 0.55 -1.59 -1.00 -0.19 3.58 -1.90 0.33 116.42 116.20 2ksi h ASP 68 Ca -0.48 0.19 0.20 0.00 0.42 0.00 0.00 57.03 57.36 2ksi h ASP 68 Cb 1.23 0.63 -0.11 0.00 1.72 0.00 0.00 39.33 42.80 2ksi h ASP 68 CO 0.60 -0.47 0.61 0.44 -2.88 0.00 0.00 179.24 177.54 2ksi h ASP 69 N -0.56 0.77 -0.60 2.28 5.19 -1.95 0.24 116.42 121.78 2ksi h ASP 69 Ca 0.05 0.10 -0.04 0.00 -0.62 0.00 0.00 57.03 56.52 2ksi h ASP 69 Cb 0.67 -0.04 -0.03 0.00 0.18 0.00 0.00 39.33 40.12 2ksi h ASP 69 CO -0.42 0.26 0.21 0.40 -3.12 0.00 0.00 179.24 176.57 2ksi h ILE 70 N 0.74 1.24 -0.82 0.35 1.08 -1.47 -2.68 117.51 115.94 2ksi h ILE 70 Ca 0.59 -0.78 0.15 0.00 -0.39 0.00 0.00 64.86 64.44 2ksi h ILE 70 Cb 0.95 0.61 -0.10 0.00 -3.07 0.00 0.00 36.82 35.21 2ksi h ILE 70 CO -0.39 0.30 0.38 -0.03 -0.69 0.00 0.00 178.15 177.72 2ksi h MET 71 N 0.84 0.51 -0.03 2.37 4.05 0.10 0.49 114.93 123.27 2ksi h MET 71 Ca 0.20 -0.03 -0.10 0.00 -0.28 0.00 0.00 59.70 59.48 2ksi h MET 71 Cb 0.25 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.92 2ksi h MET 71 CO -0.01 0.34 -0.46 0.35 0.23 0.00 0.00 176.91 177.36 2ksi h PHE 72 N 0.53 0.08 0.17 1.39 3.57 -1.32 0.85 116.94 122.22 2ksi h PHE 72 Ca 0.46 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.93 2ksi h PHE 72 Cb 0.70 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.42 2ksi h PHE 72 CO -0.12 0.52 -0.08 0.00 -2.23 0.00 0.00 178.31 176.39 2ksi h ALA 73 N 1.48 -0.23 -0.16 2.41 0.00 -0.34 -3.28 119.26 119.13 2ksi h ALA 73 Ca 0.00 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 2ksi h ALA 73 Cb 0.83 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2ksi h ALA 73 CO 0.06 -0.22 -0.60 0.82 0.00 0.00 0.00 179.25 179.31 2ksi h ILE 74 N -1.05 1.33 -0.93 0.00 2.04 -0.27 0.31 117.51 118.95 2ksi h ILE 74 Ca -0.02 -1.89 0.22 0.00 1.00 0.00 0.00 64.86 64.17 2ksi h ILE 74 Cb 0.22 1.86 -0.12 0.00 -0.74 0.00 0.00 36.82 38.04 2ksi h ILE 74 CO 0.04 0.58 0.47 1.23 0.00 0.00 0.00 178.15 180.47 2ksi h GLY 75 N 1.09 1.64 -2.58 5.37 0.00 0.62 0.30 103.07 109.52 2ksi h GLY 75 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2ksi h GLY 75 CO 0.11 -0.22 0.00 -0.37 0.00 0.00 0.00 176.54 176.06 2ksi n THR 76 N -4.96 1.26 -2.42 4.70 5.66 -1.21 -4.81 114.28 112.50 2ksi n THR 76 Ca 0.23 -1.08 -0.20 0.00 -3.05 0.00 0.00 64.05 59.95 2ksi n THR 76 Cb 0.65 0.38 -0.01 0.00 -1.55 0.00 0.00 70.33 69.80 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 1.30 -0.50 0.22 1.09 0.00 0.11 -4.80 105.19 102.60 2ksi n GLY 77 Ca 0.23 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.10 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 0.37 -2.79 4.61 0.00 -0.62 -3.45 119.26 118.38 2ksi h ALA 78 Ca -0.48 -0.49 -0.61 0.00 0.00 0.00 0.00 54.91 53.33 2ksi h ALA 78 Cb 1.35 -0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.95 2ksi h ALA 78 CO 0.56 0.54 -0.72 -0.51 0.00 0.00 0.00 179.25 179.12 2ksi s LEU 79 N -8.72 2.93 -0.37 0.00 1.43 -1.19 -5.03 118.68 107.73 2ksi s LEU 79 Ca -0.12 -0.66 -0.28 0.00 -1.03 0.00 0.00 54.13 52.04 2ksi s LEU 79 Cb 0.08 -1.57 -0.01 0.00 0.03 0.00 0.00 46.19 44.72 2ksi s LEU 79 CO 0.86 0.08 1.71 -2.16 0.23 0.00 0.00 176.35 177.07 2ksi s PRO 80 N -3.05 3.35 0.29 1.29 0.04 -1.26 -4.63 135.00 131.03 2ksi s PRO 80 Ca 0.26 1.26 0.01 0.00 0.04 0.00 0.00 61.00 62.57 2ksi s PRO 80 Cb -0.08 -4.17 0.54 0.00 0.04 0.00 0.00 34.50 30.83 2ksi s PRO 80 CO 0.16 -1.84 1.86 0.00 0.04 0.00 0.00 177.00 177.22 2ksi h ALA 81 N 12.47 1.52 -0.03 8.56 0.00 -1.96 0.22 119.26 140.03 2ksi h ALA 81 Ca -0.32 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 2ksi h ALA 81 Cb 1.15 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 2ksi h ALA 81 CO 1.06 0.28 0.02 -0.22 0.00 0.00 0.00 179.25 180.38 2ksi h LYS 82 N 1.02 0.05 -0.35 0.00 3.64 -1.99 -2.20 116.57 116.74 2ksi h LYS 82 Ca 0.46 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.81 2ksi h LYS 82 Cb 0.38 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 2ksi h LYS 82 CO -0.22 0.11 0.14 0.93 -2.27 0.00 0.00 179.45 178.14 2ksi h GLU 83 N -0.02 0.52 -0.39 1.90 4.39 -1.80 0.28 114.58 119.45 2ksi h GLU 83 Ca 0.01 -0.09 0.08 0.00 0.34 0.00 0.00 59.36 59.70 2ksi h GLU 83 Cb 0.07 -0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 28.56 2ksi h GLU 83 CO -0.00 0.51 -0.16 0.00 -1.16 0.00 0.00 179.01 178.19 2ksi h ALA 84 N 0.99 0.15 0.00 3.43 0.00 -0.86 -0.48 119.26 122.48 2ksi h ALA 84 Ca 0.12 0.14 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 2ksi h ALA 84 Cb 0.18 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2ksi h ALA 84 CO -0.01 -0.52 -0.53 0.52 0.00 0.00 0.00 179.25 178.71 2ksi h MET 85 N -0.09 0.00 -0.06 0.00 2.86 -1.28 -3.12 114.93 113.24 2ksi h MET 85 Ca 0.19 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.81 2ksi h MET 85 Cb 0.38 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 2ksi h MET 85 CO -0.45 0.53 -0.07 0.00 1.06 0.00 0.00 176.91 177.98 2ksi h ALA 86 N 1.47 1.78 -0.37 6.32 0.00 0.11 -1.69 119.26 126.88 2ksi h ALA 86 Ca -0.01 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.63 2ksi h ALA 86 Cb 1.19 -0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.84 2ksi h ALA 86 CO 0.07 0.17 0.22 1.04 0.00 0.00 0.00 179.25 180.75 2ksi n GLN 87 N -4.41 1.65 -2.05 0.00 6.02 -0.60 -4.82 117.38 113.17 2ksi n GLN 87 Ca -0.02 -1.21 -0.09 0.00 -0.01 0.00 0.00 57.00 55.68 2ksi n GLN 87 Cb 0.17 -1.52 -0.02 0.00 1.02 0.00 0.00 30.24 29.90 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 -0.10 -2.86 -0.35 1.08 9.92 -0.64 -4.76 116.55 118.85 2ksi n ASP 88 Ca 0.22 0.26 0.13 0.00 -0.53 0.00 0.00 54.79 54.87 2ksi n ASP 88 Cb 0.92 -2.58 0.59 0.00 -0.64 0.00 0.00 41.12 39.40 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 -2.34 1.48 -3.48 -1.24 5.02 -1.19 -4.88 118.16 111.53 2ksi n LYS 89 Ca -0.10 -0.70 -0.16 0.00 -2.02 0.00 0.00 58.31 55.33 2ksi n LYS 89 Cb 0.48 -1.45 -0.05 0.00 -0.02 0.00 0.00 35.03 34.00 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 -1.95 1.13 -0.26 1.97 -1.94 -1.26 -4.92 119.30 112.07 2ksi s MET 90 Ca 0.38 -0.01 0.02 0.00 -1.71 0.00 0.00 55.69 54.37 2ksi s MET 90 Cb 0.20 0.53 0.07 0.00 2.01 0.00 0.00 34.83 37.63 2ksi s MET 90 CO 0.32 -0.41 -0.06 -1.21 -0.01 0.00 0.00 175.02 173.65 2ksi s GLU 91 N -2.14 1.81 -0.03 2.03 0.41 -1.26 -4.85 118.70 114.67 2ksi s GLU 91 Ca -0.06 -1.23 0.07 0.00 -0.41 0.00 0.00 54.97 53.33 2ksi s GLU 91 Cb -0.00 -2.75 -0.02 0.00 -1.78 0.00 0.00 34.13 29.57 2ksi s GLU 91 CO 0.01 -0.64 -0.22 0.14 -0.49 0.00 0.00 175.26 174.06 2ksi s VAL 92 N 1.23 2.40 -0.18 2.63 -7.23 -1.26 -3.45 120.40 114.54 2ksi s VAL 92 Ca -0.05 -1.00 -0.01 0.00 -1.81 0.00 0.00 61.98 59.11 2ksi s VAL 92 Cb -0.19 -1.88 0.05 0.00 0.56 0.00 0.00 36.38 34.92 2ksi s VAL 92 CO -0.07 0.57 -0.02 -1.81 -0.31 0.00 0.00 175.10 173.47 2ksi s ASP 93 N -0.70 2.88 0.00 4.85 1.01 -0.53 -5.01 116.67 119.17 2ksi s ASP 93 Ca 0.11 -0.73 0.00 0.00 0.71 0.00 0.00 52.55 52.63 2ksi s ASP 93 Cb -0.10 -0.79 0.00 0.00 1.01 0.00 0.00 42.92 43.03 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 4.93 1.64 3.61 0.21 0.00 -1.26 0.37 105.19 114.69 2ksi n GLY 94 Ca -0.10 -0.97 -0.49 0.00 0.00 0.00 0.00 46.02 44.45 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 1.78 -0.32 1.61 0.00 -1.26 -4.82 117.38 113.70 2ksi n GLN 95 Ca 0.00 0.60 0.21 0.00 -0.00 0.00 0.00 57.00 57.81 2ksi n GLN 95 Cb 0.00 -2.64 0.41 0.00 0.00 0.00 0.00 30.24 28.02 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 6.11 0.18 -0.20 1.69 2.07 -1.99 0.36 116.25 124.47 2ksi h VAL 96 Ca -0.42 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 2ksi h VAL 96 Cb 1.28 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2ksi h VAL 96 CO 0.97 0.03 0.09 -0.33 0.02 0.00 0.00 177.57 178.35 2ksi h GLU 97 N 0.16 0.28 -0.41 1.57 4.39 -1.97 -1.80 114.58 116.81 2ksi h GLU 97 Ca 0.68 -0.04 0.08 0.00 0.34 0.00 0.00 59.36 60.42 2ksi h GLU 97 Cb 1.56 -0.05 -0.09 0.00 -0.10 0.00 0.00 28.75 30.07 2ksi h GLU 97 CO -0.72 0.32 -0.31 -0.07 -1.16 0.00 0.00 179.01 177.07 2ksi h LEU 98 N 0.18 -1.04 -1.01 1.33 -0.00 -0.66 0.57 115.31 114.69 2ksi h LEU 98 Ca 0.07 0.19 0.00 0.00 -0.00 0.00 0.00 57.88 58.14 2ksi h LEU 98 Cb 0.13 0.50 0.00 0.00 -0.00 0.00 0.00 40.66 41.28 2ksi h LEU 98 CO -0.01 -0.31 0.00 0.16 -0.00 0.00 0.00 178.44 178.28 2ksi h ILE 99 N -0.24 0.00 0.00 1.22 3.07 -1.38 -1.81 117.51 118.37 2ksi h ILE 99 Ca 0.18 -0.25 0.00 0.00 1.55 0.00 0.00 64.86 66.34 2ksi h ILE 99 Cb 0.53 1.01 0.00 0.00 -0.27 0.00 0.00 36.82 38.09 2ksi h ILE 99 CO -0.54 0.00 -0.48 0.33 -1.05 0.00 0.00 178.15 176.41 2ksi n PHE 100 N -2.43 0.23 0.01 0.16 -0.00 0.18 -3.57 117.46 112.04 2ksi n PHE 100 Ca 0.01 0.07 -0.18 0.00 -0.00 0.00 0.00 57.45 57.34 2ksi n PHE 100 Cb 0.22 -0.45 -0.08 0.00 -0.00 0.00 0.00 39.48 39.17 2ksi n PHE 100 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 2ksi h LEU 101 N 0.00 0.90 -0.45 -2.13 3.38 -0.02 -3.13 115.31 113.85 2ksi h LEU 101 Ca 0.00 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.31 2ksi h LEU 101 Cb 0.60 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2ksi h LEU 101 CO 0.00 1.46 -0.12 0.18 0.09 0.00 0.00 178.44 180.05 2ksi n LEU 102 N -3.88 0.82 0.19 1.67 4.32 -1.25 -4.09 117.00 114.78 2ksi n LEU 102 Ca -0.09 -0.19 -0.14 0.00 -0.02 0.00 0.00 56.01 55.57 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 0.54 0.15 0.63 -0.33 -1.22 0.00 0.00 177.39 177.16 2ksi h GLU 103 N 1.11 -0.45 0.00 3.23 5.08 -1.59 -2.37 114.58 119.58 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 0.40 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2ksi h GLU 103 CO 0.00 -0.18 0.00 -0.35 -1.00 0.00 0.00 179.01 177.48 2ksi n PRO 104 N -5.21 0.14 0.02 2.33 -0.04 -1.26 -2.00 135.00 128.99 2ksi n PRO 104 Ca -0.10 0.18 0.11 0.00 -0.04 0.00 0.00 63.50 63.65 2ksi n PRO 104 Cb 0.25 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.16 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 -1.35 0.25 -0.36 0.54 3.01 -1.04 -4.25 117.46 114.26 2ksi n PHE 105 Ca 0.06 0.07 0.03 0.00 1.01 0.00 0.00 57.45 58.62 2ksi n PHE 105 Cb 0.13 -0.48 0.19 0.00 -0.01 0.00 0.00 39.48 39.31 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 1.09 -0.72 4.37 2.04 -0.89 -1.63 117.51 121.78 2ksi h ILE 106 Ca 0.00 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.43 2ksi h ILE 106 Cb 0.82 -0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 2ksi h ILE 106 CO 0.00 0.21 0.31 0.00 0.00 0.00 0.00 178.15 178.67 2ksi h ALA 107 N 1.47 1.20 -0.91 1.87 0.00 -1.75 -2.25 119.26 118.89 2ksi h ALA 107 Ca 0.42 -0.16 0.26 0.00 0.00 0.00 0.00 54.91 55.43 2ksi h ALA 107 Cb 0.17 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2ksi h ALA 107 CO -0.17 0.60 0.68 0.77 0.00 0.00 0.00 179.25 181.13 2ksi h SER 108 N 1.03 0.00 -3.67 0.00 0.02 -1.52 -3.41 113.55 106.00 2ksi h SER 108 Ca 0.24 0.00 -0.44 0.00 -0.84 0.00 0.00 61.79 60.75 2ksi h SER 108 Cb 0.16 0.00 0.18 0.00 0.14 0.00 0.00 62.40 62.87 2ksi h SER 108 CO -0.03 0.00 0.14 -0.76 -1.14 0.00 0.00 176.83 175.04 2ksi s LEU 109 N -8.36 1.20 0.00 5.07 1.43 -0.85 -5.03 118.68 112.15 2ksi s LEU 109 Ca -0.05 1.14 0.00 0.00 -1.03 0.00 0.00 54.13 54.20 2ksi s LEU 109 Cb 0.21 -3.18 0.00 0.00 0.03 0.00 0.00 46.19 43.25 2ksi s LEU 109 CO 0.75 -3.57 0.00 1.17 0.23 0.00 0.00 176.35 174.94