#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 4.65 1.12 7.83 0.01 -1.26 -5.11 113.70 120.94 2ksi s SER 2 Ca 0.00 -0.09 -0.13 0.00 1.31 0.00 0.00 55.95 57.03 2ksi s SER 2 Cb 0.00 -1.46 0.22 0.00 0.21 0.00 0.00 66.02 64.99 2ksi s SER 2 CO 0.00 0.27 0.81 0.18 0.41 0.00 0.00 173.24 174.90 2ksi n LEU 3 N 2.87 -0.87 0.19 2.44 7.99 -1.26 -4.95 117.00 123.41 2ksi n LEU 3 Ca -0.18 -0.05 -0.08 0.00 -0.01 0.00 0.00 56.01 55.70 2ksi n LEU 3 Cb 0.53 -1.23 -0.04 0.00 -0.11 0.00 0.00 43.42 42.57 2ksi n LEU 3 CO 0.30 -3.12 0.27 0.11 -1.51 0.00 0.00 177.39 173.44 2ksi h LYS 4 N -2.41 -0.51 -1.48 3.23 1.57 -1.99 -3.16 116.57 111.82 2ksi h LYS 4 Ca -0.57 0.03 0.43 0.00 -1.87 0.00 0.00 60.65 58.68 2ksi h LYS 4 Cb 1.33 0.12 -0.06 0.00 0.08 0.00 0.00 32.23 33.69 2ksi h LYS 4 CO 0.45 -0.34 1.06 0.66 -0.57 0.00 0.00 179.45 180.71 2ksi h SER 5 N -0.89 0.02 -0.25 0.86 4.64 -1.94 0.20 113.55 116.19 2ksi h SER 5 Ca -0.05 0.01 0.05 0.00 -0.47 0.00 0.00 61.79 61.33 2ksi h SER 5 Cb 0.41 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.45 2ksi h SER 5 CO 0.09 -0.00 -0.10 -0.78 -0.87 0.00 0.00 176.83 175.16 2ksi h ASP 6 N 0.01 -0.35 -0.98 4.97 3.58 -1.91 -1.26 116.42 120.47 2ksi h ASP 6 Ca 0.71 0.09 0.15 0.00 0.42 0.00 0.00 57.03 58.41 2ksi h ASP 6 Cb 2.82 0.20 -0.09 0.00 1.72 0.00 0.00 39.33 43.98 2ksi h ASP 6 CO -0.03 -0.13 0.62 -0.08 -2.88 0.00 0.00 179.24 176.74 2ksi h GLU 7 N -0.06 0.82 0.78 0.28 4.57 -0.68 -2.24 114.58 118.05 2ksi h GLU 7 Ca 0.13 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.23 2ksi h GLU 7 Cb 0.26 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 2ksi h GLU 7 CO -0.29 0.54 -0.43 0.28 -1.18 0.00 0.00 179.01 177.93 2ksi h VAL 8 N 0.84 0.13 -0.78 0.32 2.07 -1.28 -0.41 116.25 117.14 2ksi h VAL 8 Ca 0.52 0.00 0.17 0.00 0.82 0.00 0.00 66.70 68.21 2ksi h VAL 8 Cb 0.70 0.13 -0.11 0.00 -1.52 0.00 0.00 31.29 30.48 2ksi h VAL 8 CO -0.29 0.00 0.22 -0.26 0.02 0.00 0.00 177.57 177.26 2ksi h PHE 9 N -1.12 0.35 -0.55 1.57 0.04 -1.02 0.58 116.94 116.79 2ksi h PHE 9 Ca -0.10 0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.69 2ksi h PHE 9 Cb 0.89 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.98 2ksi h PHE 9 CO -0.06 -0.08 0.26 0.00 -0.60 0.00 0.00 178.31 177.83 2ksi h ALA 10 N 1.64 0.71 -0.03 2.45 0.00 -1.20 -2.10 119.26 120.73 2ksi h ALA 10 Ca 0.45 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.24 2ksi h ALA 10 Cb 0.79 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2ksi h ALA 10 CO -0.52 0.27 -0.04 0.87 0.00 0.00 0.00 179.25 179.83 2ksi h LYS 11 N 0.74 -0.06 0.33 0.00 1.79 0.81 -0.54 116.57 119.63 2ksi h LYS 11 Ca 0.19 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.66 2ksi h LYS 11 Cb 0.12 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.76 2ksi h LYS 11 CO -0.02 -0.04 -0.36 0.82 -1.08 0.00 0.00 179.45 178.77 2ksi h ILE 12 N -0.07 0.26 -0.24 1.86 2.04 -1.05 -1.40 117.51 118.91 2ksi h ILE 12 Ca 0.03 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.95 2ksi h ILE 12 Cb 0.10 0.26 -0.07 0.00 -0.74 0.00 0.00 36.82 36.38 2ksi h ILE 12 CO -0.07 0.00 -0.22 0.00 0.00 0.00 0.00 178.15 177.87 2ksi h ALA 13 N -0.25 -0.09 -0.35 1.87 0.00 -1.29 0.14 119.26 119.29 2ksi h ALA 13 Ca -0.02 0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.07 2ksi h ALA 13 Cb 0.66 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2ksi h ALA 13 CO -0.08 -0.64 0.34 0.87 0.00 0.00 0.00 179.25 179.74 2ksi h LYS 14 N -0.22 0.00 0.01 0.00 1.57 -0.88 0.15 116.57 117.19 2ksi h LYS 14 Ca 0.14 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.71 2ksi h LYS 14 Cb 0.43 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2ksi h LYS 14 CO -0.37 0.00 -0.91 -0.09 -0.57 0.00 0.00 179.45 177.51 2ksi h ARG 15 N 0.00 0.24 0.00 3.15 2.43 0.30 -3.11 114.38 117.39 2ksi h ARG 15 Ca 0.17 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 2ksi h ARG 15 Cb 0.84 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.47 2ksi h ARG 15 CO -0.00 1.00 -0.06 -0.07 -1.51 0.00 0.00 179.97 179.32 2ksi h LEU 16 N 0.13 0.00 -2.04 3.80 3.38 0.07 -2.68 115.31 117.97 2ksi h LEU 16 Ca -0.05 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.01 2ksi h LEU 16 Cb 1.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 2ksi h LEU 16 CO 0.14 0.06 0.37 -0.33 0.09 0.00 0.00 178.44 178.78 2ksi h GLU 17 N 0.00 0.00 0.00 1.13 5.08 -1.44 0.48 114.58 119.83 2ksi h GLU 17 Ca -0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 2ksi h GLU 17 Cb 0.40 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2ksi h GLU 17 CO 0.01 0.00 -0.39 0.77 -1.00 0.00 0.00 179.01 178.40 2ksi h SER 18 N 0.00 0.00 -0.85 1.42 0.02 -1.69 -3.44 113.55 109.01 2ksi h SER 18 Ca 0.15 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.53 2ksi h SER 18 Cb 0.90 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.40 2ksi h SER 18 CO -0.00 0.39 1.57 -0.38 -1.14 0.00 0.00 176.83 177.27 2ksi n ILE 19 N -3.19 0.05 -4.45 3.27 5.41 0.17 -4.92 119.36 115.69 2ksi n ILE 19 Ca 0.02 -0.32 -0.33 0.00 1.00 0.00 0.00 62.75 63.13 2ksi n ILE 19 Cb 0.69 -1.56 -0.10 0.00 -0.71 0.00 0.00 39.64 37.95 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 9.07 4.76 0.27 4.38 1.11 -1.26 -5.00 116.67 130.00 2ksi s ASP 20 Ca 1.15 -0.08 0.24 0.00 0.18 0.00 0.00 52.55 54.04 2ksi s ASP 20 Cb -0.82 -1.17 1.00 0.00 1.07 0.00 0.00 42.92 43.00 2ksi s ASP 20 CO 0.44 0.30 1.72 -0.81 1.18 0.00 0.00 175.17 178.00 2ksi n PRO 21 N 1.69 0.20 0.00 8.23 -0.04 -1.26 -2.32 135.00 141.50 2ksi n PRO 21 Ca -0.16 0.44 0.10 0.00 -0.04 0.00 0.00 63.50 63.84 2ksi n PRO 21 Cb 0.53 -1.89 0.52 0.00 -0.04 0.00 0.00 33.50 32.61 2ksi n PRO 21 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ksi n ALA 22 N -1.79 2.07 -3.15 0.55 0.00 -1.26 -4.57 120.51 112.36 2ksi n ALA 22 Ca 0.02 -0.09 0.05 0.00 0.00 0.00 0.00 53.44 53.42 2ksi n ALA 22 Cb 0.23 -1.35 -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 -2.71 -0.51 0.45 0.00 3.04 -0.98 -5.18 114.94 109.05 2ksi s ASN 23 Ca 0.17 0.15 0.03 0.00 0.04 0.00 0.00 52.86 53.26 2ksi s ASN 23 Cb 0.14 1.36 -0.04 0.00 -1.54 0.00 0.00 41.25 41.17 2ksi s ASN 23 CO 0.35 -0.09 0.03 -0.13 -3.04 0.00 0.00 177.10 174.22 2ksi s ARG 24 N 2.95 2.03 0.05 0.43 1.81 -1.25 -4.42 118.95 120.54 2ksi s ARG 24 Ca 0.15 -2.24 0.00 0.00 -1.72 0.00 0.00 55.73 51.92 2ksi s ARG 24 Cb -0.06 -1.31 0.00 0.00 -0.45 0.00 0.00 34.95 33.13 2ksi s ARG 24 CO -0.18 -0.29 0.00 0.94 -0.68 0.00 0.00 175.30 175.09 2ksi n GLN 25 N -1.07 0.00 -3.55 3.54 -0.06 -1.26 -5.08 117.38 109.90 2ksi n GLN 25 Ca -0.12 0.00 -0.19 0.00 -2.00 0.00 0.00 57.00 54.69 2ksi n GLN 25 Cb 0.67 -0.13 -0.14 0.00 -4.06 0.00 0.00 30.24 26.58 2ksi n GLN 25 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 2ksi s VAL 26 N -1.33 -0.28 -0.19 1.69 1.01 -1.26 -5.13 120.40 114.91 2ksi s VAL 26 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 2ksi s VAL 26 Cb 0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 2ksi s VAL 26 CO 0.00 -0.13 -0.02 -1.61 0.00 0.00 0.00 175.10 173.33 2ksi s GLU 27 N 2.29 3.58 0.14 2.72 8.01 -1.26 -5.07 118.70 129.11 2ksi s GLU 27 Ca 0.05 -0.54 -0.24 0.00 0.01 0.00 0.00 54.97 54.25 2ksi s GLU 27 Cb -0.15 -3.00 0.08 0.00 -4.31 0.00 0.00 34.13 26.75 2ksi s GLU 27 CO -0.10 0.05 1.09 -1.01 0.01 0.00 0.00 175.26 175.30 2ksi s HIS 28 N 0.87 0.06 -0.15 1.61 3.76 -1.26 -5.07 115.29 115.11 2ksi s HIS 28 Ca -0.00 -0.40 -0.18 0.00 -0.15 0.00 0.00 55.06 54.33 2ksi s HIS 28 Cb -0.14 0.67 -0.04 0.00 1.11 0.00 0.00 32.58 34.18 2ksi s HIS 28 CO 0.02 -0.78 0.49 0.08 -0.85 0.00 0.00 174.74 173.70 2ksi s VAL 29 N -2.14 5.15 0.43 -0.90 1.01 -1.26 -4.02 120.40 118.67 2ksi s VAL 29 Ca 0.23 0.96 0.07 0.00 0.00 0.00 0.00 61.98 63.24 2ksi s VAL 29 Cb -0.02 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 2ksi s VAL 29 CO 0.04 0.26 0.27 -0.31 0.00 0.00 0.00 175.10 175.36 2ksi s TYR 30 N 1.04 2.54 -0.03 5.22 1.51 -1.21 -2.63 117.35 123.79 2ksi s TYR 30 Ca 0.25 -0.58 0.01 0.00 -1.01 0.00 0.00 57.07 55.74 2ksi s TYR 30 Cb -0.15 -2.03 0.02 0.00 -0.11 0.00 0.00 41.96 39.69 2ksi s TYR 30 CO 0.10 0.02 -0.05 0.21 -1.11 0.00 0.00 175.55 174.72 2ksi s LYS 31 N -4.02 0.71 -0.17 -0.62 2.20 0.14 -3.08 119.74 114.89 2ksi s LYS 31 Ca 0.42 -0.12 -0.00 0.00 -0.36 0.00 0.00 55.97 55.91 2ksi s LYS 31 Cb 0.01 -0.72 0.04 0.00 -1.51 0.00 0.00 37.83 35.65 2ksi s LYS 31 CO 0.24 -0.03 -0.05 -0.06 -0.36 0.00 0.00 175.35 175.09 2ksi s PHE 32 N 0.65 1.75 -0.12 4.03 0.08 1.00 0.19 117.98 125.57 2ksi s PHE 32 Ca -0.08 -1.15 -0.10 0.00 0.12 0.00 0.00 56.93 55.71 2ksi s PHE 32 Cb -0.12 -1.34 -0.05 0.00 -0.57 0.00 0.00 43.02 40.95 2ksi s PHE 32 CO 0.00 -0.63 0.22 1.03 -0.10 0.00 0.00 175.22 175.73 2ksi s ARG 33 N 1.61 3.80 -0.32 0.44 0.52 0.90 0.19 118.95 126.09 2ksi s ARG 33 Ca -0.00 0.00 -0.01 0.00 -0.52 0.00 0.00 55.73 55.21 2ksi s ARG 33 Cb -0.16 -3.27 0.07 0.00 0.52 0.00 0.00 34.95 32.11 2ksi s ARG 33 CO -0.08 0.59 0.04 0.42 0.02 0.00 0.00 175.30 176.29 2ksi s ILE 34 N -0.56 2.89 -0.10 1.52 -1.09 -0.44 -1.21 121.20 122.22 2ksi s ILE 34 Ca 0.16 -1.66 -0.02 0.00 -2.23 0.00 0.00 60.65 56.90 2ksi s ILE 34 Cb -0.13 -2.79 -0.03 0.00 -1.58 0.00 0.00 42.46 37.93 2ksi s ILE 34 CO 0.05 -0.28 -0.00 0.42 -1.23 0.00 0.00 174.94 173.90 2ksi s THR 35 N 1.17 4.27 -0.52 2.92 -4.23 -0.75 0.22 115.64 118.72 2ksi s THR 35 Ca -0.01 -0.26 -0.08 0.00 -1.18 0.00 0.00 61.69 60.17 2ksi s THR 35 Cb -0.20 -2.81 0.13 0.00 1.34 0.00 0.00 72.50 70.96 2ksi s THR 35 CO -0.03 0.58 0.39 0.00 -0.54 0.00 0.00 174.62 175.02 2ksi s GLN 36 N -0.63 2.54 0.00 3.99 -2.07 -0.38 -2.93 119.66 120.18 2ksi s GLN 36 Ca 0.10 -1.96 0.00 0.00 -1.82 0.00 0.00 55.36 51.69 2ksi s GLN 36 Cb -0.12 -3.91 0.00 0.00 -1.09 0.00 0.00 33.01 27.89 2ksi s GLN 36 CO 0.02 -1.19 0.00 0.41 -1.32 0.00 0.00 175.29 173.21 2ksi n GLY 37 N 4.57 1.93 0.00 2.60 0.00 -1.26 -3.64 105.19 109.39 2ksi n GLY 37 Ca -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 3.65 -0.02 0.00 -1.26 -5.13 105.19 102.43 2ksi n GLY 38 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.23 3.38 0.14 1.61 2.20 -1.24 -5.04 119.74 120.56 2ksi s LYS 39 Ca 0.00 -0.40 -0.33 0.00 -0.36 0.00 0.00 55.97 54.89 2ksi s LYS 39 Cb 0.00 -2.94 -0.12 0.00 -1.51 0.00 0.00 37.83 33.26 2ksi s LYS 39 CO 0.00 0.52 1.73 1.55 -0.36 0.00 0.00 175.35 178.79 2ksi n VAL 40 N 2.73 0.16 -0.05 4.02 3.14 -1.26 -1.25 118.33 125.82 2ksi n VAL 40 Ca -0.18 -0.03 -0.11 0.00 -2.96 0.00 0.00 64.34 61.06 2ksi n VAL 40 Cb 0.53 -1.88 -0.15 0.00 -1.06 0.00 0.00 33.84 31.28 2ksi n VAL 40 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 2ksi n VAL 41 N 4.13 1.54 -3.62 1.55 3.14 0.13 -4.84 118.33 120.37 2ksi n VAL 41 Ca 0.17 -0.78 -0.05 0.00 -2.96 0.00 0.00 64.34 60.72 2ksi n VAL 41 Cb 0.33 -0.95 -0.04 0.00 -1.06 0.00 0.00 33.84 32.13 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 -2.55 0.25 0.31 1.45 2.47 -1.00 -5.06 119.74 115.61 2ksi s LYS 42 Ca -0.11 0.04 0.00 0.00 -1.56 0.00 0.00 55.97 54.35 2ksi s LYS 42 Cb 0.07 0.12 -0.03 0.00 -1.46 0.00 0.00 37.83 36.52 2ksi s LYS 42 CO 0.80 -0.08 0.51 -0.80 0.16 0.00 0.00 175.35 175.94 2ksi s ASN 43 N -1.17 6.32 0.03 1.43 -0.87 -1.26 -1.32 114.94 118.09 2ksi s ASN 43 Ca 0.06 0.42 0.01 0.00 -1.57 0.00 0.00 52.86 51.78 2ksi s ASN 43 Cb -0.01 -2.02 -0.02 0.00 -0.02 0.00 0.00 41.25 39.18 2ksi s ASN 43 CO -0.05 -0.24 -0.05 0.26 -2.57 0.00 0.00 177.10 174.46 2ksi s TRP 44 N -2.21 0.45 0.00 2.20 0.51 0.50 -2.88 118.94 117.51 2ksi s TRP 44 Ca 0.39 -0.51 0.04 0.00 -2.12 0.00 0.00 56.10 53.90 2ksi s TRP 44 Cb -0.10 -0.29 -0.01 0.00 -0.81 0.00 0.00 33.47 32.26 2ksi s TRP 44 CO 0.34 -0.14 -0.13 0.08 -0.51 0.00 0.00 176.95 176.59 2ksi s VAL 45 N -1.40 1.01 -0.45 4.03 1.01 0.16 -0.00 120.40 124.76 2ksi s VAL 45 Ca -0.13 -0.63 -0.11 0.00 0.00 0.00 0.00 61.98 61.11 2ksi s VAL 45 Cb -0.10 -0.86 0.09 0.00 0.00 0.00 0.00 36.38 35.51 2ksi s VAL 45 CO -0.00 0.22 0.32 -0.32 0.00 0.00 0.00 175.10 175.31 2ksi s MET 46 N -0.47 2.68 -1.00 2.72 1.75 -1.18 -1.67 119.30 122.13 2ksi s MET 46 Ca 0.04 -1.51 -0.21 0.00 -1.25 0.00 0.00 55.69 52.76 2ksi s MET 46 Cb -0.05 -3.91 0.08 0.00 2.84 0.00 0.00 34.83 33.78 2ksi s MET 46 CO -0.00 -1.04 1.36 0.34 -0.65 0.00 0.00 175.02 175.03 2ksi s ASP 47 N 2.41 6.56 0.00 1.11 -1.08 -1.11 -3.29 116.67 121.28 2ksi s ASP 47 Ca 0.04 -1.69 0.26 0.00 -0.52 0.00 0.00 52.55 50.64 2ksi s ASP 47 Cb -0.24 -2.52 1.22 0.00 -1.46 0.00 0.00 42.92 39.92 2ksi s ASP 47 CO 0.03 -1.35 1.85 0.18 0.52 0.00 0.00 175.17 176.40 2ksi n LEU 48 N 8.11 0.00 -0.07 -1.34 4.32 -1.26 -1.31 117.00 125.45 2ksi n LEU 48 Ca 0.31 0.37 -0.08 0.00 -0.02 0.00 0.00 56.01 56.59 2ksi n LEU 48 Cb 0.50 -0.37 -0.06 0.00 -1.62 0.00 0.00 43.42 41.87 2ksi n LEU 48 CO 0.62 -0.05 -0.08 0.11 -1.22 0.00 0.00 177.39 176.77 2ksi h LYS 49 N 0.00 0.00 -0.00 3.23 1.57 -1.86 -3.36 116.57 116.14 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 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2ksi h LYS 49 CO 0.00 0.42 -0.22 0.09 -0.57 0.00 0.00 179.45 179.17 2ksi n ASN 50 N -4.64 0.26 -2.46 0.86 4.13 -1.24 -4.94 115.26 107.23 2ksi n ASN 50 Ca -0.10 0.08 -0.13 0.00 1.68 0.00 0.00 54.58 56.11 2ksi n ASN 50 Cb 0.30 -0.14 0.05 0.00 -1.54 0.00 0.00 39.78 38.45 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 -1.45 -2.76 -3.73 2.41 0.31 -0.43 -5.04 118.33 107.65 2ksi n VAL 51 Ca 0.07 -0.15 -0.12 0.00 -0.01 0.00 0.00 64.34 64.13 2ksi n VAL 51 Cb 0.33 -3.53 -0.12 0.00 -0.91 0.00 0.00 33.84 29.61 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 -5.35 0.31 0.10 5.55 2.20 -0.82 -4.72 119.74 117.01 2ksi s LYS 52 Ca 0.19 0.56 -0.25 0.00 -0.36 0.00 0.00 55.97 56.11 2ksi s LYS 52 Cb -0.08 0.00 -0.07 0.00 -1.51 0.00 0.00 37.83 36.17 2ksi s LYS 52 CO 0.45 -0.12 0.77 -0.51 -0.36 0.00 0.00 175.35 175.58 2ksi s LEU 53 N 0.93 4.52 0.13 5.43 1.02 -1.26 -2.74 118.68 126.71 2ksi s LEU 53 Ca -0.06 1.53 0.00 0.00 0.02 0.00 0.00 54.13 55.62 2ksi s LEU 53 Cb -0.07 -3.25 -0.04 0.00 0.02 0.00 0.00 46.19 42.85 2ksi s LEU 53 CO -0.07 0.11 0.02 0.68 0.02 0.00 0.00 176.35 177.11 2ksi s VAL 54 N -0.58 0.34 -0.41 -1.59 -7.23 -0.67 -4.97 120.40 105.29 2ksi s VAL 54 Ca 0.37 -1.92 -0.14 0.00 -1.81 0.00 0.00 61.98 58.49 2ksi s VAL 54 Cb -0.22 -1.96 0.03 0.00 0.56 0.00 0.00 36.38 34.80 2ksi s VAL 54 CO 0.24 -0.58 0.29 -1.83 -0.31 0.00 0.00 175.10 172.91 2ksi s GLU 55 N -3.97 2.91 0.10 4.82 1.03 -1.26 0.40 118.70 122.72 2ksi s GLU 55 Ca 0.20 -1.12 -0.26 0.00 0.03 0.00 0.00 54.97 53.82 2ksi s GLU 55 Cb 0.07 -3.93 0.08 0.00 -0.80 0.00 0.00 34.13 29.55 2ksi s GLU 55 CO 0.00 -0.80 0.93 -1.12 -1.33 0.00 0.00 175.26 172.95 2ksi s SER 56 N 1.83 -0.25 -0.15 0.83 0.01 -1.14 -4.85 113.70 109.98 2ksi s SER 56 Ca 0.04 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.05 2ksi s SER 56 Cb -0.20 0.45 0.03 0.00 0.21 0.00 0.00 66.02 66.51 2ksi s SER 56 CO 0.08 -0.80 -0.09 1.51 0.41 0.00 0.00 173.24 174.35 2ksi s ASP 57 N -2.78 2.74 0.16 2.44 1.47 -1.26 -2.76 116.67 116.69 2ksi s ASP 57 Ca 0.10 -0.57 -0.12 0.00 1.18 0.00 0.00 52.55 53.14 2ksi s ASP 57 Cb -0.01 -1.04 0.01 0.00 -0.34 0.00 0.00 42.92 41.54 2ksi s ASP 57 CO -0.02 -0.12 0.36 -1.81 0.68 0.00 0.00 175.17 174.25 2ksi s ASP 58 N 1.56 -0.06 -0.79 2.11 1.01 -1.26 -5.08 116.67 114.16 2ksi s ASP 58 Ca 0.03 -0.69 -0.26 0.00 0.71 0.00 0.00 52.55 52.34 2ksi s ASP 58 Cb -0.14 0.47 -0.10 0.00 1.01 0.00 0.00 42.92 44.16 2ksi s ASP 58 CO -0.09 -0.92 2.24 0.00 0.21 0.00 0.00 175.17 176.61 2ksi s ALA 59 N -3.92 1.14 0.19 5.23 0.00 -1.26 -4.93 121.76 118.21 2ksi s ALA 59 Ca 0.13 -0.93 -0.05 0.00 0.00 0.00 0.00 51.96 51.11 2ksi s ALA 59 Cb 0.02 -4.54 -0.06 0.00 0.00 0.00 0.00 23.12 18.55 2ksi s ALA 59 CO -0.03 -5.36 0.43 0.00 0.00 0.00 0.00 175.76 170.81 2ksi s ALA 60 N 12.87 3.73 0.21 0.00 0.00 -1.26 -4.97 121.76 132.34 2ksi s ALA 60 Ca 0.85 -0.55 0.35 0.00 0.00 0.00 0.00 51.96 52.61 2ksi s ALA 60 Cb -0.11 -2.19 1.73 0.00 0.00 0.00 0.00 23.12 22.55 2ksi s ALA 60 CO 0.08 0.55 2.05 1.49 0.00 0.00 0.00 175.76 179.93 2ksi h GLU 61 N 2.49 0.00 -3.06 0.00 4.81 -1.86 -3.41 114.58 113.57 2ksi h GLU 61 Ca -0.47 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.52 2ksi h GLU 61 Cb 1.17 0.00 -0.33 0.00 0.63 0.00 0.00 28.75 30.22 2ksi h GLU 61 CO 0.70 0.00 -0.57 0.00 -0.73 0.00 0.00 179.01 178.41 2ksi s ALA 62 N -3.80 -0.36 -0.20 2.92 0.00 -1.25 -4.60 121.76 114.46 2ksi s ALA 62 Ca -0.02 0.77 -0.08 0.00 0.00 0.00 0.00 51.96 52.64 2ksi s ALA 62 Cb 0.10 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 2ksi s ALA 62 CO 0.41 -0.42 0.08 0.99 0.00 0.00 0.00 175.76 176.82 2ksi s THR 63 N 1.86 4.84 -0.29 0.00 2.01 0.23 -0.68 115.64 123.60 2ksi s THR 63 Ca -0.03 -0.01 0.02 0.00 0.31 0.00 0.00 61.69 61.98 2ksi s THR 63 Cb -0.12 -3.20 0.08 0.00 0.01 0.00 0.00 72.50 69.28 2ksi s THR 63 CO -0.07 0.43 0.00 -0.76 -0.69 0.00 0.00 174.62 173.53 2ksi s LEU 64 N 0.60 3.30 -0.16 4.42 1.02 0.13 -0.69 118.68 127.29 2ksi s LEU 64 Ca 0.04 -1.61 -0.13 0.00 0.02 0.00 0.00 54.13 52.45 2ksi s LEU 64 Cb -0.13 -1.30 -0.05 0.00 0.02 0.00 0.00 46.19 44.74 2ksi s LEU 64 CO 0.01 -0.31 0.27 -0.89 0.02 0.00 0.00 176.35 175.45 2ksi s THR 65 N 1.25 5.32 0.12 5.49 2.01 -1.14 -0.07 115.64 128.62 2ksi s THR 65 Ca 0.02 0.50 -0.22 0.00 0.31 0.00 0.00 61.69 62.31 2ksi s THR 65 Cb -0.19 -3.61 0.06 0.00 0.01 0.00 0.00 72.50 68.77 2ksi s THR 65 CO -0.10 0.40 0.54 -0.04 -0.69 0.00 0.00 174.62 174.73 2ksi s MET 66 N 0.44 1.17 0.40 4.92 -1.94 -0.35 -4.06 119.30 119.88 2ksi s MET 66 Ca 0.15 -0.43 -0.00 0.00 -1.71 0.00 0.00 55.69 53.70 2ksi s MET 66 Cb -0.13 0.54 -0.02 0.00 2.01 0.00 0.00 34.83 37.23 2ksi s MET 66 CO 0.03 -0.48 0.62 -1.21 -0.01 0.00 0.00 175.02 173.98 2ksi s GLU 67 N -3.36 3.32 0.13 2.03 2.02 -1.26 -1.81 118.70 119.76 2ksi s GLU 67 Ca -0.00 -0.35 -0.32 0.00 0.02 0.00 0.00 54.97 54.32 2ksi s GLU 67 Cb -0.00 -2.59 -0.09 0.00 0.10 0.00 0.00 34.13 31.55 2ksi s GLU 67 CO -0.09 -0.06 1.56 0.22 0.02 0.00 0.00 175.26 176.91 2ksi h ASP 68 N 0.55 -1.60 -0.86 -0.19 3.58 -1.88 -0.39 116.42 115.63 2ksi h ASP 68 Ca -0.48 0.20 0.17 0.00 0.42 0.00 0.00 57.03 57.34 2ksi h ASP 68 Cb 1.23 0.64 -0.10 0.00 1.72 0.00 0.00 39.33 42.82 2ksi h ASP 68 CO 0.60 -0.45 0.43 0.44 -2.88 0.00 0.00 179.24 177.37 2ksi h ASP 69 N -0.51 0.48 -0.97 2.28 3.32 -1.95 0.55 116.42 119.61 2ksi h ASP 69 Ca 0.06 0.11 0.05 0.00 0.02 0.00 0.00 57.03 57.27 2ksi h ASP 69 Cb 0.65 0.04 -0.06 0.00 0.22 0.00 0.00 39.33 40.18 2ksi h ASP 69 CO -0.46 0.16 0.64 0.40 -1.72 0.00 0.00 179.24 178.26 2ksi h ILE 70 N 0.56 1.12 -0.60 0.35 1.08 -1.50 0.12 117.51 118.65 2ksi h ILE 70 Ca 0.49 -0.41 0.02 0.00 -0.39 0.00 0.00 64.86 64.58 2ksi h ILE 70 Cb 0.76 -0.16 -0.04 0.00 -3.07 0.00 0.00 36.82 34.31 2ksi h ILE 70 CO -0.40 0.22 0.38 0.24 -0.69 0.00 0.00 178.15 177.89 2ksi h MET 71 N 1.18 0.73 -0.01 2.37 2.86 0.29 0.39 114.93 122.74 2ksi h MET 71 Ca 0.40 -0.04 -0.14 0.00 -2.06 0.00 0.00 59.70 57.86 2ksi h MET 71 Cb 0.09 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 2ksi h MET 71 CO -0.14 0.48 -0.66 0.35 1.06 0.00 0.00 176.91 178.00 2ksi h PHE 72 N 0.75 0.05 0.28 -0.22 3.57 -1.14 0.33 116.94 120.57 2ksi h PHE 72 Ca 0.24 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 2ksi h PHE 72 Cb -0.00 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.73 2ksi h PHE 72 CO -0.05 0.68 -0.14 0.00 -2.23 0.00 0.00 178.31 176.58 2ksi h ALA 73 N 1.31 -0.38 -0.17 2.41 0.00 -0.31 -3.09 119.26 119.03 2ksi h ALA 73 Ca -0.01 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 2ksi h ALA 73 Cb 1.17 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2ksi h ALA 73 CO 0.09 -0.36 -0.36 0.82 0.00 0.00 0.00 179.25 179.44 2ksi h ILE 74 N -1.09 1.34 -0.94 0.00 2.04 -0.34 -0.72 117.51 117.81 2ksi h ILE 74 Ca -0.04 -1.60 0.22 0.00 1.00 0.00 0.00 64.86 64.44 2ksi h ILE 74 Cb 0.33 1.93 -0.07 0.00 -0.74 0.00 0.00 36.82 38.26 2ksi h ILE 74 CO 0.06 0.49 0.62 1.23 0.00 0.00 0.00 178.15 180.55 2ksi h GLY 75 N 0.20 0.95 1.07 5.37 0.00 -0.44 0.32 103.07 110.54 2ksi h GLY 75 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 2ksi h GLY 75 CO 0.08 -0.03 -0.70 -0.91 0.00 0.00 0.00 176.54 174.98 2ksi h THR 76 N 0.41 0.00 0.00 4.70 1.35 -1.50 -3.44 112.91 114.43 2ksi h THR 76 Ca 0.50 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 2ksi h THR 76 Cb 1.23 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 2ksi h THR 76 CO -0.20 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.68 2ksi n GLY 77 N 1.33 0.39 0.18 5.82 0.00 0.11 -4.86 105.19 108.17 2ksi n GLY 77 Ca 0.03 -0.97 -0.20 0.00 0.00 0.00 0.00 46.02 44.88 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 0.00 0.09 -3.39 4.61 0.00 -1.38 -3.46 119.26 115.73 2ksi h ALA 78 Ca 0.00 -0.68 -0.66 0.00 0.00 0.00 0.00 54.91 53.57 2ksi h ALA 78 Cb 0.54 0.06 -0.19 0.00 0.00 0.00 0.00 17.79 18.21 2ksi h ALA 78 CO 0.00 0.60 -0.82 -0.51 0.00 0.00 0.00 179.25 178.52 2ksi s LEU 79 N -8.12 2.51 -0.02 0.00 1.43 -1.23 -5.06 118.68 108.19 2ksi s LEU 79 Ca -0.11 -0.77 -0.30 0.00 -1.03 0.00 0.00 54.13 51.93 2ksi s LEU 79 Cb 0.06 -1.29 -0.05 0.00 0.03 0.00 0.00 46.19 44.94 2ksi s LEU 79 CO 0.90 0.14 1.47 -2.16 0.23 0.00 0.00 176.35 176.93 2ksi s PRO 80 N -2.49 4.24 0.42 1.29 0.04 -1.26 -4.59 135.00 132.65 2ksi s PRO 80 Ca 0.19 2.02 0.11 0.00 0.04 0.00 0.00 61.00 63.37 2ksi s PRO 80 Cb -0.09 -3.69 0.89 0.00 0.04 0.00 0.00 34.50 31.65 2ksi s PRO 80 CO 0.10 -0.67 1.97 0.00 0.04 0.00 0.00 177.00 178.44 2ksi h ALA 81 N 8.31 1.62 0.28 8.56 0.00 -1.98 -1.42 119.26 134.63 2ksi h ALA 81 Ca -0.37 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 2ksi h ALA 81 Cb 1.17 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2ksi h ALA 81 CO 0.92 0.28 -0.13 -0.22 0.00 0.00 0.00 179.25 180.10 2ksi h LYS 82 N 0.18 -0.36 -0.58 0.00 3.64 -1.99 -2.79 116.57 114.67 2ksi h LYS 82 Ca 0.04 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 2ksi h LYS 82 Cb 0.28 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 2ksi h LYS 82 CO 0.02 -0.03 0.36 1.49 -2.27 0.00 0.00 179.45 179.02 2ksi h GLU 83 N -0.77 0.70 -0.43 1.90 4.81 -1.94 0.33 114.58 119.18 2ksi h GLU 83 Ca -0.04 -0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.24 2ksi h GLU 83 Cb 0.50 -0.16 -0.08 0.00 0.63 0.00 0.00 28.75 29.64 2ksi h GLU 83 CO 0.06 0.46 -0.13 0.00 -0.73 0.00 0.00 179.01 178.67 2ksi h ALA 84 N 1.24 0.24 0.00 2.92 0.00 -1.29 -0.54 119.26 121.82 2ksi h ALA 84 Ca 0.23 0.16 -0.12 0.00 0.00 0.00 0.00 54.91 55.18 2ksi h ALA 84 Cb -0.01 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2ksi h ALA 84 CO -0.08 -0.48 -0.55 0.52 0.00 0.00 0.00 179.25 178.66 2ksi h MET 85 N -0.04 0.00 -0.14 0.00 2.86 -1.20 -3.13 114.93 113.29 2ksi h MET 85 Ca 0.21 0.00 -0.00 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 0.07 0.00 1.06 0.00 0.00 176.91 178.13 2ksi h ALA 86 N 1.45 1.86 -0.42 6.32 0.00 0.12 -1.19 119.26 127.40 2ksi h ALA 86 Ca -0.01 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 2ksi h ALA 86 Cb 1.27 -0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.88 2ksi h ALA 86 CO 0.07 0.12 0.25 1.04 0.00 0.00 0.00 179.25 180.73 2ksi n GLN 87 N -4.49 1.77 -2.17 0.00 6.02 -0.71 -4.83 117.38 112.95 2ksi n GLN 87 Ca -0.01 -1.37 -0.08 0.00 -0.01 0.00 0.00 57.00 55.53 2ksi n GLN 87 Cb 0.10 -1.58 -0.01 0.00 1.02 0.00 0.00 30.24 29.76 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 -0.16 -2.82 -0.39 1.08 8.00 -0.45 -4.76 116.55 117.06 2ksi n ASP 88 Ca 0.25 0.27 0.12 0.00 0.71 0.00 0.00 54.79 56.14 2ksi n ASP 88 Cb 0.97 -2.52 0.52 0.00 -0.02 0.00 0.00 41.12 40.07 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 1.53 -3.51 -1.24 5.02 -1.19 -4.87 118.16 111.46 2ksi n LYS 89 Ca -0.10 -0.79 -0.16 0.00 -2.02 0.00 0.00 58.31 55.25 2ksi n LYS 89 Cb 0.51 -1.43 -0.05 0.00 -0.02 0.00 0.00 35.03 34.04 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 -1.92 1.10 -0.26 1.97 -1.94 -1.26 -4.93 119.30 112.07 2ksi s MET 90 Ca 0.36 0.01 0.02 0.00 -1.71 0.00 0.00 55.69 54.36 2ksi s MET 90 Cb 0.19 0.51 0.07 0.00 2.01 0.00 0.00 34.83 37.61 2ksi s MET 90 CO 0.30 -0.39 -0.06 -1.21 -0.01 0.00 0.00 175.02 173.64 2ksi s GLU 91 N -1.98 1.86 -0.02 2.03 2.02 -1.26 -4.86 118.70 116.49 2ksi s GLU 91 Ca -0.07 -1.27 0.08 0.00 0.02 0.00 0.00 54.97 53.73 2ksi s GLU 91 Cb -0.00 -2.78 -0.02 0.00 0.10 0.00 0.00 34.13 31.42 2ksi s GLU 91 CO 0.03 -0.64 -0.26 0.08 0.02 0.00 0.00 175.26 174.49 2ksi s VAL 92 N 1.20 2.09 -0.16 2.63 1.01 -1.26 -2.88 120.40 123.02 2ksi s VAL 92 Ca -0.05 -1.10 -0.02 0.00 0.00 0.00 0.00 61.98 60.81 2ksi s VAL 92 Cb -0.19 -1.72 0.05 0.00 0.00 0.00 0.00 36.38 34.52 2ksi s VAL 92 CO -0.06 0.57 0.01 -1.81 0.00 0.00 0.00 175.10 173.81 2ksi s ASP 93 N -0.63 2.66 0.00 3.32 1.11 0.13 -5.01 116.67 118.25 2ksi s ASP 93 Ca 0.10 -0.65 0.00 0.00 0.18 0.00 0.00 52.55 52.18 2ksi s ASP 93 Cb -0.10 -0.66 0.00 0.00 1.07 0.00 0.00 42.92 43.23 2ksi s ASP 93 CO -0.01 -0.25 0.00 0.61 1.18 0.00 0.00 175.17 176.70 2ksi n GLY 94 N 5.01 1.66 3.60 0.21 0.00 -1.26 0.75 105.19 115.16 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 1.77 -0.32 1.61 7.27 -1.26 -4.82 117.38 120.97 2ksi n GLN 95 Ca 0.00 0.59 0.18 0.00 0.07 0.00 0.00 57.00 57.84 2ksi n GLN 95 Cb 0.00 -2.68 0.37 0.00 2.41 0.00 0.00 30.24 30.34 2ksi n GLN 95 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 2ksi h VAL 96 N 6.25 0.18 -0.15 1.69 2.07 -1.99 0.29 116.25 124.59 2ksi h VAL 96 Ca -0.41 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.09 2ksi h VAL 96 Cb 1.28 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2ksi h VAL 96 CO 0.97 0.02 0.01 -0.08 0.02 0.00 0.00 177.57 178.52 2ksi h GLU 97 N 0.13 0.06 -0.40 1.57 4.22 -1.96 0.14 114.58 118.34 2ksi h GLU 97 Ca 0.64 -0.00 0.08 0.00 0.08 0.00 0.00 59.36 60.16 2ksi h GLU 97 Cb 1.41 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.56 2ksi h GLU 97 CO -0.74 0.04 -0.31 -0.07 -2.18 0.00 0.00 179.01 175.75 2ksi h LEU 98 N 0.06 -1.04 -1.35 1.64 3.38 -0.78 0.32 115.31 117.54 2ksi h LEU 98 Ca 0.07 0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 2ksi h LEU 98 Cb 0.08 0.49 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 2ksi h LEU 98 CO -0.11 -0.31 -0.16 0.16 0.09 0.00 0.00 178.44 178.12 2ksi h ILE 99 N -0.24 0.42 0.00 1.22 3.07 -1.25 -2.38 117.51 118.35 2ksi h ILE 99 Ca 0.18 -0.88 0.00 0.00 1.55 0.00 0.00 64.86 65.71 2ksi h ILE 99 Cb 0.53 1.63 0.00 0.00 -0.27 0.00 0.00 36.82 38.71 2ksi h ILE 99 CO -0.54 0.15 0.00 -0.26 -1.05 0.00 0.00 178.15 176.46 2ksi h PHE 100 N 0.00 0.00 0.02 0.16 -1.00 0.23 -3.10 116.94 113.25 2ksi h PHE 100 Ca -0.00 0.00 -0.26 0.00 2.81 0.00 0.00 57.97 60.52 2ksi h PHE 100 Cb 0.62 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.19 2ksi h PHE 100 CO 0.00 0.00 -1.04 -0.07 -1.61 0.00 0.00 178.31 175.59 2ksi h LEU 101 N 0.00 0.80 -0.11 1.54 3.38 -0.00 -3.16 115.31 117.75 2ksi h LEU 101 Ca 0.00 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.32 2ksi h LEU 101 Cb 0.77 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2ksi h LEU 101 CO 0.00 1.45 -0.14 0.18 0.09 0.00 0.00 178.44 180.02 2ksi n LEU 102 N -3.81 0.32 0.17 1.67 4.32 -1.22 -3.96 117.00 114.48 2ksi n LEU 102 Ca -0.10 0.15 -0.14 0.00 -0.02 0.00 0.00 56.01 55.90 2ksi n LEU 102 Cb 0.88 -0.28 -0.08 0.00 -1.62 0.00 0.00 43.42 42.32 2ksi n LEU 102 CO 0.55 0.07 0.70 -0.33 -1.22 0.00 0.00 177.39 177.15 2ksi h GLU 103 N 0.28 -0.38 0.00 3.23 5.08 -1.50 -1.51 114.58 119.78 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 0.41 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2ksi h GLU 103 CO 0.00 -0.17 0.00 -0.35 -1.00 0.00 0.00 179.01 177.49 2ksi n PRO 104 N -5.21 0.11 0.00 2.33 -0.04 -1.25 -2.05 135.00 128.90 2ksi n PRO 104 Ca -0.10 0.20 0.11 0.00 -0.04 0.00 0.00 63.50 63.67 2ksi n PRO 104 Cb 0.21 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.04 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 -1.38 0.08 -0.32 0.54 3.72 -0.96 -4.37 117.46 114.76 2ksi n PHE 105 Ca 0.05 0.02 0.13 0.00 -0.05 0.00 0.00 57.45 57.60 2ksi n PHE 105 Cb 0.14 -0.40 0.31 0.00 -0.94 0.00 0.00 39.48 38.59 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 0.56 -0.49 4.37 2.04 -0.69 0.11 117.51 123.42 2ksi h ILE 106 Ca 0.00 -0.18 -0.11 0.00 1.00 0.00 0.00 64.86 65.57 2ksi h ILE 106 Cb 0.85 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 2ksi h ILE 106 CO 0.00 0.10 -0.14 0.00 0.00 0.00 0.00 178.15 178.10 2ksi h ALA 107 N 1.68 0.68 0.00 1.87 0.00 -1.77 -2.74 119.26 118.98 2ksi h ALA 107 Ca 0.56 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2ksi h ALA 107 Cb 0.99 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 2ksi h ALA 107 CO -0.47 0.61 -0.13 1.03 0.00 0.00 0.00 179.25 180.30 2ksi h SER 108 N 0.82 0.00 0.00 0.00 0.87 -1.08 -3.45 113.55 110.70 2ksi h SER 108 Ca 0.12 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 2ksi h SER 108 Cb 0.71 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 2ksi h SER 108 CO 0.05 0.13 0.00 0.18 -0.53 0.00 0.00 176.83 176.66 2ksi n LEU 109 N -3.68 0.00 0.00 2.23 7.99 -0.29 -4.92 117.00 118.34 2ksi n LEU 109 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.98 2ksi n LEU 109 Cb 0.25 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.56 2ksi n LEU 109 CO 0.31 0.00 0.00 1.17 -1.51 0.00 0.00 177.39 177.36