#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 -0.54 1.04 7.83 0.01 -1.26 -5.16 113.70 115.62 2ksi s SER 2 Ca 0.00 1.05 -0.15 0.00 1.31 0.00 0.00 55.95 58.16 2ksi s SER 2 Cb 0.00 1.10 0.10 0.00 0.21 0.00 0.00 66.02 67.43 2ksi s SER 2 CO 0.00 -0.21 0.36 0.18 0.41 0.00 0.00 173.24 173.98 2ksi n LEU 3 N 4.65 -0.95 0.28 2.44 4.77 -1.26 -4.92 117.00 122.01 2ksi n LEU 3 Ca -0.18 0.10 -0.13 0.00 -0.03 0.00 0.00 56.01 55.77 2ksi n LEU 3 Cb 0.54 -1.13 -0.06 0.00 -2.33 0.00 0.00 43.42 40.43 2ksi n LEU 3 CO 0.04 -3.27 0.37 0.11 -1.33 0.00 0.00 177.39 173.30 2ksi h LYS 4 N -1.91 -0.73 -1.46 3.23 1.57 -2.01 -3.07 116.57 112.19 2ksi h LYS 4 Ca -0.50 0.05 0.43 0.00 -1.87 0.00 0.00 60.65 58.76 2ksi h LYS 4 Cb 1.32 0.16 -0.07 0.00 0.08 0.00 0.00 32.23 33.73 2ksi h LYS 4 CO 0.38 -0.44 1.04 0.66 -0.57 0.00 0.00 179.45 180.52 2ksi h SER 5 N -1.14 0.04 -0.23 0.86 4.64 -1.92 0.20 113.55 115.99 2ksi h SER 5 Ca -0.08 0.01 0.05 0.00 -0.47 0.00 0.00 61.79 61.31 2ksi h SER 5 Cb 0.62 0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 62.66 2ksi h SER 5 CO 0.13 -0.01 -0.12 -0.78 -0.87 0.00 0.00 176.83 175.18 2ksi h ASP 6 N 0.02 -0.39 -0.96 4.97 1.82 -1.89 -0.99 116.42 119.01 2ksi h ASP 6 Ca 0.71 0.09 0.20 0.00 -0.39 0.00 0.00 57.03 57.65 2ksi h ASP 6 Cb 2.78 0.21 -0.08 0.00 0.68 0.00 0.00 39.33 42.92 2ksi h ASP 6 CO -0.05 -0.15 0.61 -0.08 -1.61 0.00 0.00 179.24 177.97 2ksi h GLU 7 N -0.09 0.55 0.40 0.28 4.57 -0.70 -1.65 114.58 117.94 2ksi h GLU 7 Ca 0.12 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.25 2ksi h GLU 7 Cb 0.28 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 2ksi h GLU 7 CO -0.29 0.37 -0.19 0.28 -1.18 0.00 0.00 179.01 178.00 2ksi h VAL 8 N 0.57 0.61 -0.80 0.32 2.07 -1.24 -2.55 116.25 115.23 2ksi h VAL 8 Ca 0.52 -0.18 0.19 0.00 0.82 0.00 0.00 66.70 68.06 2ksi h VAL 8 Cb 1.07 0.70 -0.12 0.00 -1.52 0.00 0.00 31.29 31.42 2ksi h VAL 8 CO -0.27 0.03 0.23 -0.26 0.02 0.00 0.00 177.57 177.32 2ksi h PHE 9 N -0.64 0.36 -0.44 1.57 0.04 -0.92 0.16 116.94 117.08 2ksi h PHE 9 Ca -0.05 0.04 0.02 0.00 2.80 0.00 0.00 57.97 60.78 2ksi h PHE 9 Cb 0.47 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.55 2ksi h PHE 9 CO -0.02 -0.11 0.25 0.00 -0.60 0.00 0.00 178.31 177.83 2ksi h ALA 10 N 1.67 0.55 0.29 2.45 0.00 -1.31 0.18 119.26 123.10 2ksi h ALA 10 Ca 0.47 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 2ksi h ALA 10 Cb 0.86 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2ksi h ALA 10 CO -0.55 -0.08 -0.14 0.87 0.00 0.00 0.00 179.25 179.35 2ksi h LYS 11 N 0.50 -0.38 -0.36 0.00 1.79 -0.49 0.06 116.57 117.69 2ksi h LYS 11 Ca 0.18 0.03 0.06 0.00 -2.18 0.00 0.00 60.65 58.73 2ksi h LYS 11 Cb 0.03 0.09 -0.05 0.00 -1.58 0.00 0.00 32.23 30.72 2ksi h LYS 11 CO -0.09 -0.10 0.07 0.82 -1.08 0.00 0.00 179.45 179.07 2ksi h ILE 12 N -0.64 0.81 0.51 1.86 2.04 -0.68 0.75 117.51 122.15 2ksi h ILE 12 Ca -0.04 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 2ksi h ILE 12 Cb 0.46 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 2ksi h ILE 12 CO 0.07 0.03 -0.24 0.00 0.00 0.00 0.00 178.15 178.01 2ksi h ALA 13 N 1.28 -0.68 -0.43 1.87 0.00 -0.63 0.30 119.26 120.96 2ksi h ALA 13 Ca 0.17 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.05 2ksi h ALA 13 Cb 0.20 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2ksi h ALA 13 CO -0.23 -0.86 0.31 0.87 0.00 0.00 0.00 179.25 179.34 2ksi h LYS 14 N -0.73 0.01 0.06 0.00 1.57 -0.76 -0.13 116.57 116.59 2ksi h LYS 14 Ca -0.07 -0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.46 2ksi h LYS 14 Cb 0.54 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.86 2ksi h LYS 14 CO 0.11 0.01 -1.08 0.00 -0.57 0.00 0.00 179.45 177.92 2ksi h ARG 15 N 0.01 0.43 0.00 3.15 2.47 -0.39 -3.16 114.38 116.89 2ksi h ARG 15 Ca 0.21 -0.54 0.00 0.00 -1.26 0.00 0.00 59.98 58.39 2ksi h ARG 15 Cb 0.81 0.17 0.00 0.00 -1.65 0.00 0.00 29.97 29.30 2ksi h ARG 15 CO -0.00 1.20 0.00 1.37 0.56 0.00 0.00 179.97 183.09 2ksi h LEU 16 N 0.21 0.00 -0.02 3.04 8.10 0.83 -2.42 115.31 125.06 2ksi h LEU 16 Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.87 2ksi h LEU 16 Cb 1.74 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.96 2ksi h LEU 16 CO 0.19 0.00 -0.34 -0.62 -4.11 0.00 0.00 178.44 173.56 2ksi n GLU 17 N -2.95 0.04 -0.02 0.17 1.02 -0.57 -3.91 120.64 114.42 2ksi n GLU 17 Ca 0.01 -0.02 -0.17 0.00 -0.02 0.00 0.00 57.16 56.97 2ksi n GLU 17 Cb 0.33 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.16 2ksi n GLU 17 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2ksi h SER 18 N 0.04 0.67 -0.69 1.62 0.87 -1.42 -3.44 113.55 111.20 2ksi h SER 18 Ca 0.00 -0.67 -0.59 0.00 -1.23 0.00 0.00 61.79 59.30 2ksi h SER 18 Cb 0.50 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.22 2ksi h SER 18 CO 0.00 1.23 1.56 -0.38 -0.53 0.00 0.00 176.83 178.71 2ksi n ILE 19 N -4.16 0.05 -1.82 2.23 -0.00 -1.25 -4.86 119.36 109.54 2ksi n ILE 19 Ca -0.09 -0.25 -0.39 0.00 -0.00 0.00 0.00 62.75 62.02 2ksi n ILE 19 Cb 0.65 -1.35 0.03 0.00 -0.00 0.00 0.00 39.64 38.97 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 5.61 0.10 4.38 1.11 -1.26 -4.89 116.67 130.39 2ksi s ASP 20 Ca 1.17 2.81 0.18 0.00 0.18 0.00 0.00 52.55 56.89 2ksi s ASP 20 Cb -0.94 -2.64 0.76 0.00 1.07 0.00 0.00 42.92 41.17 2ksi s ASP 20 CO 0.47 -1.34 1.56 -0.81 1.18 0.00 0.00 175.17 176.22 2ksi n PRO 21 N -0.59 0.08 0.00 8.23 -0.04 -1.26 -2.23 135.00 139.18 2ksi n PRO 21 Ca 0.08 0.33 0.14 0.00 -0.04 0.00 0.00 63.50 64.01 2ksi n PRO 21 Cb 0.44 -1.65 0.76 0.00 -0.04 0.00 0.00 33.50 33.01 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 -1.61 2.47 -3.15 0.55 0.00 -1.26 -4.63 120.51 112.87 2ksi n ALA 22 Ca 0.03 -0.15 0.05 0.00 0.00 0.00 0.00 53.44 53.38 2ksi n ALA 22 Cb 0.19 -1.48 -0.01 0.00 0.00 0.00 0.00 19.45 18.15 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 -2.48 -0.53 0.55 0.00 2.47 -0.95 -5.18 114.94 108.82 2ksi s ASN 23 Ca 0.30 0.18 0.06 0.00 0.42 0.00 0.00 52.86 53.82 2ksi s ASN 23 Cb 0.20 1.38 0.04 0.00 -1.45 0.00 0.00 41.25 41.42 2ksi s ASN 23 CO 0.43 -0.10 0.45 -0.13 -3.72 0.00 0.00 177.10 174.03 2ksi s ARG 24 N 2.95 2.26 0.00 0.43 1.81 -1.26 -4.38 118.95 120.76 2ksi s ARG 24 Ca 0.14 -1.97 0.00 0.00 -1.72 0.00 0.00 55.73 52.17 2ksi s ARG 24 Cb -0.06 -2.16 0.00 0.00 -0.45 0.00 0.00 34.95 32.27 2ksi s ARG 24 CO -0.18 -0.65 0.00 1.04 -0.68 0.00 0.00 175.30 174.84 2ksi n GLN 25 N -1.82 0.00 -3.86 3.54 1.13 -1.26 -5.06 117.38 110.05 2ksi n GLN 25 Ca 0.00 0.00 -0.26 0.00 -1.94 0.00 0.00 57.00 54.81 2ksi n GLN 25 Cb 0.64 0.00 -0.17 0.00 0.11 0.00 0.00 30.24 30.82 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 0.00 0.82 -0.22 5.09 0.11 -1.26 -5.12 120.40 119.82 2ksi s VAL 26 Ca 0.00 -0.23 -0.09 0.00 -2.93 0.00 0.00 61.98 58.74 2ksi s VAL 26 Cb 0.00 -0.93 -0.04 0.00 -1.53 0.00 0.00 36.38 33.88 2ksi s VAL 26 CO 0.00 0.28 0.10 -1.61 -3.33 0.00 0.00 175.10 170.54 2ksi s GLU 27 N 1.78 3.94 0.15 1.54 2.02 -1.26 -5.02 118.70 121.85 2ksi s GLU 27 Ca 0.04 -0.35 -0.23 0.00 0.02 0.00 0.00 54.97 54.45 2ksi s GLU 27 Cb -0.13 -3.36 0.08 0.00 0.10 0.00 0.00 34.13 30.82 2ksi s GLU 27 CO -0.07 0.09 1.08 -1.01 0.02 0.00 0.00 175.26 175.37 2ksi s HIS 28 N 0.90 0.07 -0.26 1.61 3.76 -1.26 -5.00 115.29 115.11 2ksi s HIS 28 Ca 0.05 -0.42 -0.10 0.00 -0.15 0.00 0.00 55.06 54.44 2ksi s HIS 28 Cb -0.13 0.68 -0.05 0.00 1.11 0.00 0.00 32.58 34.19 2ksi s HIS 28 CO 0.03 -0.82 0.15 0.08 -0.85 0.00 0.00 174.74 173.34 2ksi s VAL 29 N -2.12 5.11 0.28 -0.90 1.01 -1.26 -3.73 120.40 118.79 2ksi s VAL 29 Ca 0.23 0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.39 2ksi s VAL 29 Cb -0.02 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 2ksi s VAL 29 CO 0.04 0.30 0.19 -0.31 0.00 0.00 0.00 175.10 175.32 2ksi s TYR 30 N 1.49 2.98 -0.02 5.22 1.51 -1.21 -2.05 117.35 125.27 2ksi s TYR 30 Ca 0.07 -0.19 0.05 0.00 -1.01 0.00 0.00 57.07 55.99 2ksi s TYR 30 Cb -0.15 -1.48 -0.01 0.00 -0.11 0.00 0.00 41.96 40.20 2ksi s TYR 30 CO 0.08 0.44 -0.17 0.21 -1.11 0.00 0.00 175.55 175.00 2ksi s LYS 31 N -3.86 1.49 -0.06 -0.62 2.20 0.14 -2.76 119.74 116.27 2ksi s LYS 31 Ca 0.35 -0.60 -0.01 0.00 -0.36 0.00 0.00 55.97 55.35 2ksi s LYS 31 Cb -0.07 -1.39 0.03 0.00 -1.51 0.00 0.00 37.83 34.89 2ksi s LYS 31 CO 0.24 0.32 0.01 -0.06 -0.36 0.00 0.00 175.35 175.51 2ksi s PHE 32 N -0.25 0.53 -0.03 4.03 0.08 0.22 0.37 117.98 122.93 2ksi s PHE 32 Ca 0.03 -0.07 0.07 0.00 0.12 0.00 0.00 56.93 57.08 2ksi s PHE 32 Cb -0.08 -0.71 -0.02 0.00 -0.57 0.00 0.00 43.02 41.63 2ksi s PHE 32 CO 0.00 -0.29 -0.23 1.03 -0.10 0.00 0.00 175.22 175.64 2ksi s ARG 33 N 1.93 2.20 -0.60 0.44 0.52 0.87 0.15 118.95 124.46 2ksi s ARG 33 Ca 0.04 -0.87 -0.01 0.00 -0.52 0.00 0.00 55.73 54.36 2ksi s ARG 33 Cb -0.12 -2.13 0.15 0.00 0.52 0.00 0.00 34.95 33.37 2ksi s ARG 33 CO -0.04 0.58 0.39 0.42 0.02 0.00 0.00 175.30 176.66 2ksi s ILE 34 N -0.65 3.44 -0.04 1.52 -1.09 -1.20 -1.77 121.20 121.42 2ksi s ILE 34 Ca 0.10 -3.04 -0.13 0.00 -2.23 0.00 0.00 60.65 55.36 2ksi s ILE 34 Cb -0.10 -3.27 -0.05 0.00 -1.58 0.00 0.00 42.46 37.46 2ksi s ILE 34 CO -0.01 -0.86 0.34 0.42 -1.23 0.00 0.00 174.94 173.60 2ksi s THR 35 N -0.11 5.16 -0.50 2.92 -4.23 0.90 -2.44 115.64 117.34 2ksi s THR 35 Ca 0.17 0.67 -0.07 0.00 -1.18 0.00 0.00 61.69 61.28 2ksi s THR 35 Cb -0.21 -3.63 0.13 0.00 1.34 0.00 0.00 72.50 70.13 2ksi s THR 35 CO -0.03 0.58 0.35 0.00 -0.54 0.00 0.00 174.62 174.99 2ksi s GLN 36 N -1.01 2.45 0.00 3.99 -2.07 0.18 -3.16 119.66 120.03 2ksi s GLN 36 Ca 0.21 -1.94 0.00 0.00 -1.82 0.00 0.00 55.36 51.81 2ksi s GLN 36 Cb -0.15 -3.85 0.00 0.00 -1.09 0.00 0.00 33.01 27.92 2ksi s GLN 36 CO 0.11 -1.17 0.00 0.41 -1.32 0.00 0.00 175.29 173.32 2ksi n GLY 37 N 4.56 2.57 0.00 2.60 0.00 -1.26 -4.06 105.19 109.59 2ksi n GLY 37 Ca -0.03 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 0.01 3.86 -0.02 0.00 -1.26 -5.15 105.19 102.63 2ksi n GLY 38 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 3.14 0.25 1.61 2.20 -1.26 -5.00 119.74 120.68 2ksi s LYS 39 Ca 0.00 -0.71 -0.20 0.00 -0.36 0.00 0.00 55.97 54.70 2ksi s LYS 39 Cb 0.00 -2.81 -0.09 0.00 -1.51 0.00 0.00 37.83 33.43 2ksi s LYS 39 CO 0.00 0.52 0.76 0.54 -0.36 0.00 0.00 175.35 176.81 2ksi s VAL 40 N -1.67 4.53 0.00 4.02 0.11 -1.26 -0.65 120.40 125.48 2ksi s VAL 40 Ca 0.32 1.32 0.00 0.00 -2.93 0.00 0.00 61.98 60.69 2ksi s VAL 40 Cb -0.11 -3.84 0.00 0.00 -1.53 0.00 0.00 36.38 30.90 2ksi s VAL 40 CO 0.25 0.14 0.17 1.33 -3.33 0.00 0.00 175.10 173.67 2ksi n VAL 41 N 0.55 0.00 -3.63 2.04 0.24 -1.02 -4.90 118.33 111.61 2ksi n VAL 41 Ca -0.01 -0.36 -0.06 0.00 -2.04 0.00 0.00 64.34 61.87 2ksi n VAL 41 Cb 0.51 1.13 -0.02 0.00 -1.47 0.00 0.00 33.84 34.00 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 -0.37 1.03 0.09 7.34 3.01 -1.25 -5.05 119.74 124.54 2ksi s LYS 42 Ca 0.00 -0.49 0.07 0.00 -1.01 0.00 0.00 55.97 54.54 2ksi s LYS 42 Cb 0.00 0.40 -0.03 0.00 -1.01 0.00 0.00 37.83 37.19 2ksi s LYS 42 CO 0.00 -0.46 -0.19 0.54 0.51 0.00 0.00 175.35 175.74 2ksi s ASN 43 N -2.73 2.33 0.02 2.83 2.20 -1.26 -3.23 114.94 115.09 2ksi s ASN 43 Ca 0.09 -0.66 0.01 0.00 -0.94 0.00 0.00 52.86 51.35 2ksi s ASN 43 Cb -0.01 -0.12 -0.02 0.00 -2.00 0.00 0.00 41.25 39.10 2ksi s ASN 43 CO -0.03 0.03 -0.05 0.26 -2.94 0.00 0.00 177.10 174.37 2ksi s TRP 44 N -1.18 0.41 -0.02 1.54 0.51 0.39 -1.90 118.94 118.71 2ksi s TRP 44 Ca 0.04 -0.35 0.01 0.00 -2.12 0.00 0.00 56.10 53.68 2ksi s TRP 44 Cb -0.10 -0.26 0.01 0.00 -0.81 0.00 0.00 33.47 32.31 2ksi s TRP 44 CO 0.04 -0.09 -0.01 0.08 -0.51 0.00 0.00 176.95 176.46 2ksi s VAL 45 N -0.94 0.19 -0.36 4.03 1.01 0.95 -0.61 120.40 124.67 2ksi s VAL 45 Ca -0.08 -0.02 -0.13 0.00 0.00 0.00 0.00 61.98 61.76 2ksi s VAL 45 Cb -0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 36.38 36.08 2ksi s VAL 45 CO -0.00 0.10 0.25 -0.32 0.00 0.00 0.00 175.10 175.13 2ksi s MET 46 N 0.46 3.33 -1.05 2.72 1.75 -1.11 -1.41 119.30 123.99 2ksi s MET 46 Ca -0.04 -0.76 -0.15 0.00 -1.25 0.00 0.00 55.69 53.49 2ksi s MET 46 Cb -0.07 -3.83 0.18 0.00 2.84 0.00 0.00 34.83 33.94 2ksi s MET 46 CO -0.01 -0.53 1.19 0.34 -0.65 0.00 0.00 175.02 175.37 2ksi s ASP 47 N 1.70 6.91 0.00 1.11 2.15 0.22 -3.28 116.67 125.48 2ksi s ASP 47 Ca 0.06 -2.70 0.29 0.00 0.43 0.00 0.00 52.55 50.63 2ksi s ASP 47 Cb -0.18 -2.35 1.26 0.00 -0.30 0.00 0.00 42.92 41.35 2ksi s ASP 47 CO 0.10 -0.78 1.93 0.18 -0.17 0.00 0.00 175.17 176.44 2ksi n LEU 48 N 5.35 0.02 -0.02 -1.34 4.77 -1.24 -0.37 117.00 124.17 2ksi n LEU 48 Ca 0.27 0.45 -0.16 0.00 -0.03 0.00 0.00 56.01 56.54 2ksi n LEU 48 Cb 0.45 -0.46 -0.13 0.00 -2.33 0.00 0.00 43.42 40.95 2ksi n LEU 48 CO 0.52 0.00 0.28 0.07 -1.33 0.00 0.00 177.39 176.93 2ksi h LYS 49 N 0.00 0.16 -0.02 3.23 2.10 -1.87 -3.33 116.57 116.86 2ksi h LYS 49 Ca 0.00 -0.23 0.00 0.00 -2.00 0.00 0.00 60.65 58.42 2ksi h LYS 49 Cb 0.47 0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 2ksi h LYS 49 CO 0.00 1.05 -0.25 -1.71 -2.00 0.00 0.00 179.45 176.55 2ksi n ASN 50 N -4.41 1.87 -2.31 7.07 2.85 -1.24 -4.97 115.26 114.12 2ksi n ASN 50 Ca -0.11 -1.44 -0.10 0.00 -0.11 0.00 0.00 54.58 52.82 2ksi n ASN 50 Cb 0.60 0.21 0.05 0.00 1.24 0.00 0.00 39.78 41.88 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 0.11 -3.06 -3.91 3.44 0.31 -0.67 -5.05 118.33 109.51 2ksi n VAL 51 Ca 0.13 -0.24 -0.09 0.00 -0.01 0.00 0.00 64.34 64.12 2ksi n VAL 51 Cb 0.44 -3.73 -0.06 0.00 -0.91 0.00 0.00 33.84 29.58 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 -4.87 1.16 -0.02 5.55 1.02 0.50 -4.66 119.74 118.42 2ksi s LYS 52 Ca 0.04 -1.10 0.08 0.00 0.02 0.00 0.00 55.97 55.01 2ksi s LYS 52 Cb -0.02 0.40 -0.02 0.00 -0.52 0.00 0.00 37.83 37.67 2ksi s LYS 52 CO 0.40 -0.43 -0.26 -0.51 -0.92 0.00 0.00 175.35 173.63 2ksi s LEU 53 N -2.94 2.05 0.15 3.17 1.43 -1.26 -0.61 118.68 120.68 2ksi s LEU 53 Ca 0.15 -0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 52.76 2ksi s LEU 53 Cb 0.03 -1.34 -0.04 0.00 0.03 0.00 0.00 46.19 44.87 2ksi s LEU 53 CO -0.02 0.32 0.09 0.68 0.23 0.00 0.00 176.35 177.66 2ksi s VAL 54 N -0.59 0.07 -0.39 -1.59 -7.23 -0.50 -4.94 120.40 105.23 2ksi s VAL 54 Ca 0.09 -1.91 -0.10 0.00 -1.81 0.00 0.00 61.98 58.26 2ksi s VAL 54 Cb -0.10 -2.17 0.05 0.00 0.56 0.00 0.00 36.38 34.72 2ksi s VAL 54 CO -0.01 -0.31 0.22 -1.83 -0.31 0.00 0.00 175.10 172.86 2ksi s GLU 55 N -4.08 2.73 0.11 4.82 1.03 -1.26 -0.04 118.70 122.01 2ksi s GLU 55 Ca 0.28 -1.23 -0.26 0.00 0.03 0.00 0.00 54.97 53.79 2ksi s GLU 55 Cb 0.07 -3.74 0.08 0.00 -0.80 0.00 0.00 34.13 29.74 2ksi s GLU 55 CO 0.05 -0.80 1.04 -1.12 -1.33 0.00 0.00 175.26 173.10 2ksi s SER 56 N 1.76 -0.15 -0.17 0.83 0.01 -0.80 -4.79 113.70 110.40 2ksi s SER 56 Ca 0.02 -0.33 -0.00 0.00 1.31 0.00 0.00 55.95 56.95 2ksi s SER 56 Cb -0.21 0.40 0.04 0.00 0.21 0.00 0.00 66.02 66.47 2ksi s SER 56 CO 0.05 -0.74 -0.06 -0.62 0.41 0.00 0.00 173.24 172.28 2ksi s ASP 57 N -2.93 2.88 0.29 2.44 2.15 -1.26 -0.78 116.67 119.45 2ksi s ASP 57 Ca 0.12 -0.68 -0.16 0.00 0.43 0.00 0.00 52.55 52.26 2ksi s ASP 57 Cb 0.00 -0.94 0.02 0.00 -0.30 0.00 0.00 42.92 41.70 2ksi s ASP 57 CO 0.00 -0.18 0.64 -1.81 -0.17 0.00 0.00 175.17 173.66 2ksi s ASP 58 N 1.61 -0.09 0.57 -0.34 1.01 -1.26 -5.08 116.67 113.10 2ksi s ASP 58 Ca 0.01 -0.85 -0.18 0.00 0.71 0.00 0.00 52.55 52.24 2ksi s ASP 58 Cb -0.15 0.70 -0.09 0.00 1.01 0.00 0.00 42.92 44.39 2ksi s ASP 58 CO -0.08 -1.34 0.46 0.00 0.21 0.00 0.00 175.17 174.42 2ksi n ALA 59 N -0.45 -1.37 -3.62 5.23 0.00 -1.26 -4.83 120.51 114.20 2ksi n ALA 59 Ca -0.04 -0.04 -0.08 0.00 0.00 0.00 0.00 53.44 53.28 2ksi n ALA 59 Cb 0.60 -1.79 -0.06 0.00 0.00 0.00 0.00 19.45 18.21 2ksi n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ksi s ALA 60 N -1.76 -2.01 -0.32 0.00 0.00 -1.26 -4.84 121.76 111.58 2ksi s ALA 60 Ca 0.67 1.74 0.23 0.00 0.00 0.00 0.00 51.96 54.59 2ksi s ALA 60 Cb -0.44 -1.20 1.09 0.00 0.00 0.00 0.00 23.12 22.57 2ksi s ALA 60 CO 0.56 -0.25 1.68 0.39 0.00 0.00 0.00 175.76 178.15 2ksi n GLU 61 N 1.35 0.17 -3.91 0.00 -0.58 -0.87 -4.67 120.64 112.12 2ksi n GLU 61 Ca -0.10 0.55 -0.10 0.00 -0.42 0.00 0.00 57.16 57.09 2ksi n GLU 61 Cb 0.57 -1.93 -0.10 0.00 -0.57 0.00 0.00 31.44 29.42 2ksi n GLU 61 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ksi s ALA 62 N -3.45 -0.15 -0.02 0.62 0.00 -1.25 -4.16 121.76 113.34 2ksi s ALA 62 Ca 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 51.96 51.61 2ksi s ALA 62 Cb 0.08 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.36 2ksi s ALA 62 CO 0.28 -0.22 0.04 0.99 0.00 0.00 0.00 175.76 176.85 2ksi s THR 63 N -1.66 -0.02 -0.27 0.00 2.01 0.20 -0.68 115.64 115.22 2ksi s THR 63 Ca -0.13 0.08 -0.00 0.00 0.31 0.00 0.00 61.69 61.94 2ksi s THR 63 Cb -0.07 -0.07 0.08 0.00 0.01 0.00 0.00 72.50 72.45 2ksi s THR 63 CO -0.00 0.03 0.04 -0.76 -0.69 0.00 0.00 174.62 173.24 2ksi s LEU 64 N 0.40 2.48 -0.06 4.42 1.02 0.16 -0.53 118.68 126.57 2ksi s LEU 64 Ca -0.03 -1.43 0.02 0.00 0.02 0.00 0.00 54.13 52.70 2ksi s LEU 64 Cb -0.05 -1.01 -0.03 0.00 0.02 0.00 0.00 46.19 45.13 2ksi s LEU 64 CO -0.01 -0.34 -0.10 -0.89 0.02 0.00 0.00 176.35 175.02 2ksi s THR 65 N 1.50 3.40 -0.66 5.49 2.01 -0.69 -0.09 115.64 126.60 2ksi s THR 65 Ca 0.04 -0.59 0.00 0.00 0.31 0.00 0.00 61.69 61.44 2ksi s THR 65 Cb -0.18 -2.37 0.00 0.00 0.01 0.00 0.00 72.50 69.97 2ksi s THR 65 CO -0.15 0.59 0.00 1.15 -0.69 0.00 0.00 174.62 175.53 2ksi n MET 66 N 2.27 -2.03 -1.89 4.92 0.00 -0.73 -2.02 117.12 117.64 2ksi n MET 66 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.22 2ksi n MET 66 Cb 0.53 0.00 0.01 0.00 0.00 0.00 0.00 33.22 33.76 2ksi n MET 66 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 2ksi s GLU 67 N -1.04 3.59 0.13 3.17 2.02 -1.19 -0.07 118.70 125.31 2ksi s GLU 67 Ca 0.00 0.73 -0.16 0.00 0.02 0.00 0.00 54.97 55.57 2ksi s GLU 67 Cb 0.00 -2.09 -0.00 0.00 0.10 0.00 0.00 34.13 32.14 2ksi s GLU 67 CO 0.00 -0.56 1.67 0.22 0.02 0.00 0.00 175.26 176.61 2ksi h ASP 68 N -0.31 0.57 -0.43 -0.19 1.82 -1.89 -2.28 116.42 113.72 2ksi h ASP 68 Ca -0.44 -0.18 0.12 0.00 -0.39 0.00 0.00 57.03 56.14 2ksi h ASP 68 Cb 1.19 -0.15 -0.02 0.00 0.68 0.00 0.00 39.33 41.03 2ksi h ASP 68 CO 0.62 0.60 0.60 0.44 -1.61 0.00 0.00 179.24 179.89 2ksi h ASP 69 N 0.52 0.00 0.85 2.28 5.19 -1.96 0.92 116.42 124.21 2ksi h ASP 69 Ca 0.13 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.51 2ksi h ASP 69 Cb 0.21 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.71 2ksi h ASP 69 CO -0.01 0.00 -0.19 0.40 -3.12 0.00 0.00 179.24 176.32 2ksi h ILE 70 N 0.00 0.50 0.07 0.35 1.08 -1.79 -2.52 117.51 115.20 2ksi h ILE 70 Ca 0.20 -0.98 -0.00 0.00 -0.39 0.00 0.00 64.86 63.69 2ksi h ILE 70 Cb 1.41 1.68 0.00 0.00 -3.07 0.00 0.00 36.82 36.84 2ksi h ILE 70 CO -0.00 0.18 -0.03 -0.03 -0.69 0.00 0.00 178.15 177.58 2ksi h MET 71 N 0.00 -0.09 0.00 2.37 4.05 0.76 0.55 114.93 122.57 2ksi h MET 71 Ca -0.00 0.01 -0.12 0.00 -0.28 0.00 0.00 59.70 59.30 2ksi h MET 71 Cb 0.66 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.47 2ksi h MET 71 CO 0.02 0.03 -0.58 0.27 0.23 0.00 0.00 176.91 176.88 2ksi h PHE 72 N -0.18 0.00 0.54 1.39 -5.15 -1.66 0.42 116.94 112.30 2ksi h PHE 72 Ca -0.01 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.73 2ksi h PHE 72 Cb 0.16 0.00 0.01 0.00 0.22 0.00 0.00 35.95 36.33 2ksi h PHE 72 CO -0.04 0.58 -0.26 0.00 -2.00 0.00 0.00 178.31 176.58 2ksi h ALA 73 N 1.42 -0.72 0.21 12.09 0.00 -1.23 -2.98 119.26 128.05 2ksi h ALA 73 Ca -0.01 -0.17 -0.32 0.00 0.00 0.00 0.00 54.91 54.41 2ksi h ALA 73 Cb 1.16 0.28 0.04 0.00 0.00 0.00 0.00 17.79 19.27 2ksi h ALA 73 CO 0.07 -0.69 -1.40 0.82 0.00 0.00 0.00 179.25 178.06 2ksi h ILE 74 N -1.15 1.28 -0.96 0.00 2.04 -0.99 -1.20 117.51 116.54 2ksi h ILE 74 Ca -0.07 -2.61 0.20 0.00 1.00 0.00 0.00 64.86 63.38 2ksi h ILE 74 Cb 0.58 2.91 -0.11 0.00 -0.74 0.00 0.00 36.82 39.46 2ksi h ILE 74 CO 0.12 0.79 0.54 1.23 0.00 0.00 0.00 178.15 180.82 2ksi h GLY 75 N 0.21 1.70 1.37 5.37 0.00 -0.25 0.37 103.07 111.84 2ksi h GLY 75 Ca -0.23 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.80 2ksi h GLY 75 CO 0.26 -0.13 -0.37 -1.30 0.00 0.00 0.00 176.54 175.00 2ksi n THR 76 N -4.86 0.15 -1.43 4.70 -2.24 -1.13 -4.84 114.28 104.63 2ksi n THR 76 Ca 0.23 -0.10 -0.03 0.00 -2.27 0.00 0.00 64.05 61.88 2ksi n THR 76 Cb 0.60 -0.10 -0.01 0.00 -2.10 0.00 0.00 70.33 68.72 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 1.44 0.47 0.18 3.38 0.00 0.13 -4.92 105.19 105.87 2ksi n GLY 77 Ca 0.05 -0.90 -0.12 0.00 0.00 0.00 0.00 46.02 45.05 2ksi n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ksi h ALA 78 N 0.05 0.37 -3.83 4.61 0.00 -1.44 -3.45 119.26 115.57 2ksi h ALA 78 Ca -0.06 -0.34 -0.68 0.00 0.00 0.00 0.00 54.91 53.83 2ksi h ALA 78 Cb 0.49 -0.09 -0.20 0.00 0.00 0.00 0.00 17.79 17.98 2ksi h ALA 78 CO 0.08 0.28 -0.84 -0.51 0.00 0.00 0.00 179.25 178.26 2ksi s LEU 79 N -9.14 2.51 0.13 0.00 1.43 -1.20 -5.07 118.68 107.34 2ksi s LEU 79 Ca -0.13 -0.65 -0.31 0.00 -1.03 0.00 0.00 54.13 52.01 2ksi s LEU 79 Cb 0.08 -1.38 -0.08 0.00 0.03 0.00 0.00 46.19 44.84 2ksi s LEU 79 CO 0.79 0.18 1.35 -2.16 0.23 0.00 0.00 176.35 176.74 2ksi s PRO 80 N -2.08 4.35 0.45 1.29 0.04 -1.26 -4.63 135.00 133.15 2ksi s PRO 80 Ca 0.16 2.04 0.18 0.00 0.04 0.00 0.00 61.00 63.41 2ksi s PRO 80 Cb -0.10 -3.25 1.05 0.00 0.04 0.00 0.00 34.50 32.24 2ksi s PRO 80 CO 0.08 -0.37 1.96 0.00 0.04 0.00 0.00 177.00 178.71 2ksi h ALA 81 N 6.45 1.46 0.31 8.56 0.00 -1.98 0.09 119.26 134.14 2ksi h ALA 81 Ca -0.43 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 2ksi h ALA 81 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2ksi h ALA 81 CO 0.84 0.28 -0.15 0.87 0.00 0.00 0.00 179.25 181.09 2ksi h LYS 82 N 0.00 -0.40 -0.25 0.00 1.57 -1.98 -2.61 116.57 112.90 2ksi h LYS 82 Ca -0.00 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2ksi h LYS 82 Cb 0.44 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 2ksi h LYS 82 CO 0.03 -0.09 0.10 1.49 -0.57 0.00 0.00 179.45 180.41 2ksi h GLU 83 N -0.98 0.37 -0.31 3.15 4.57 -1.96 0.19 114.58 119.61 2ksi h GLU 83 Ca -0.04 -0.06 0.07 0.00 -1.18 0.00 0.00 59.36 58.14 2ksi h GLU 83 Cb 0.49 -0.06 -0.08 0.00 -0.16 0.00 0.00 28.75 28.94 2ksi h GLU 83 CO 0.07 0.40 -0.22 0.00 -1.18 0.00 0.00 179.01 178.08 2ksi h ALA 84 N 0.95 -0.03 0.00 2.92 0.00 -1.09 0.17 119.26 122.18 2ksi h ALA 84 Ca 0.08 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 2ksi h ALA 84 Cb 0.17 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2ksi h ALA 84 CO -0.01 -0.62 -0.42 0.52 0.00 0.00 0.00 179.25 178.72 2ksi h MET 85 N -0.19 0.00 0.00 0.00 2.86 -1.37 -2.86 114.93 113.36 2ksi h MET 85 Ca 0.16 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.77 2ksi h MET 85 Cb 0.44 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 2ksi h MET 85 CO -0.42 0.42 -0.15 0.00 1.06 0.00 0.00 176.91 177.82 2ksi h ALA 86 N 1.58 1.08 -0.28 6.32 0.00 0.11 -2.81 119.26 125.26 2ksi h ALA 86 Ca -0.00 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 2ksi h ALA 86 Cb 0.95 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.64 2ksi h ALA 86 CO 0.05 0.18 0.17 1.04 0.00 0.00 0.00 179.25 180.70 2ksi n GLN 87 N -3.38 1.44 -2.08 0.00 6.02 -0.12 -4.81 117.38 114.45 2ksi n GLN 87 Ca -0.00 -0.88 -0.09 0.00 -0.01 0.00 0.00 57.00 56.01 2ksi n GLN 87 Cb 0.34 -1.38 -0.02 0.00 1.02 0.00 0.00 30.24 30.20 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 0.04 -3.00 -0.07 1.08 8.00 -1.06 -4.81 116.55 116.72 2ksi n ASP 88 Ca 0.17 0.26 -0.05 0.00 0.71 0.00 0.00 54.79 55.87 2ksi n ASP 88 Cb 0.81 -2.69 -0.02 0.00 -0.02 0.00 0.00 41.12 39.20 2ksi n ASP 88 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2ksi h LYS 89 N 0.00 0.00 -6.00 -1.24 1.57 -1.70 -3.48 116.57 105.73 2ksi h LYS 89 Ca -0.22 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.99 2ksi h LYS 89 Cb 0.99 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.27 2ksi h LYS 89 CO 0.27 0.06 -0.47 -1.64 -0.57 0.00 0.00 179.45 177.10 2ksi s MET 90 N -2.18 3.45 -0.24 3.15 -1.94 -1.25 -4.88 119.30 115.40 2ksi s MET 90 Ca -0.14 -0.51 0.01 0.00 -1.71 0.00 0.00 55.69 53.34 2ksi s MET 90 Cb 0.02 -2.99 0.06 0.00 2.01 0.00 0.00 34.83 33.93 2ksi s MET 90 CO 0.22 0.55 -0.05 -1.21 -0.01 0.00 0.00 175.02 174.52 2ksi s GLU 91 N -2.92 1.68 0.01 2.03 2.02 -0.86 -4.69 118.70 115.97 2ksi s GLU 91 Ca 0.35 -1.06 0.08 0.00 0.02 0.00 0.00 54.97 54.36 2ksi s GLU 91 Cb -0.12 -2.63 -0.03 0.00 0.10 0.00 0.00 34.13 31.45 2ksi s GLU 91 CO 0.28 -0.61 -0.23 0.54 0.02 0.00 0.00 175.26 175.26 2ksi s VAL 92 N 1.35 2.34 -0.17 2.63 0.11 -1.26 -1.71 120.40 123.68 2ksi s VAL 92 Ca -0.06 -1.17 -0.02 0.00 -2.93 0.00 0.00 61.98 57.80 2ksi s VAL 92 Cb -0.19 -1.89 0.05 0.00 -1.53 0.00 0.00 36.38 32.82 2ksi s VAL 92 CO -0.06 0.47 0.01 -1.81 -3.33 0.00 0.00 175.10 170.37 2ksi s ASP 93 N -0.99 2.71 0.00 3.54 1.01 0.31 -5.00 116.67 118.25 2ksi s ASP 93 Ca 0.12 -0.68 0.00 0.00 0.71 0.00 0.00 52.55 52.69 2ksi s ASP 93 Cb -0.10 -0.65 0.00 0.00 1.01 0.00 0.00 42.92 43.18 2ksi s ASP 93 CO 0.01 -0.26 0.00 0.61 0.21 0.00 0.00 175.17 175.74 2ksi n GLY 94 N 5.02 1.71 3.62 0.21 0.00 -1.26 0.62 105.19 115.12 2ksi n GLY 94 Ca -0.09 -0.97 -0.49 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.70 1.87 -0.35 1.61 0.00 -1.26 -4.81 117.38 113.75 2ksi n GLN 95 Ca 0.00 0.64 0.30 0.00 -0.00 0.00 0.00 57.00 57.94 2ksi n GLN 95 Cb 0.00 -2.66 0.56 0.00 0.00 0.00 0.00 30.24 28.13 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 6.04 0.13 -0.14 1.69 2.07 -1.99 0.50 116.25 124.56 2ksi h VAL 96 Ca -0.43 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 2ksi h VAL 96 Cb 1.28 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 2ksi h VAL 96 CO 0.97 0.02 0.02 -0.33 0.02 0.00 0.00 177.57 178.27 2ksi h GLU 97 N 0.13 0.23 -0.37 1.57 4.39 -1.96 0.18 114.58 118.75 2ksi h GLU 97 Ca 0.80 -0.06 0.08 0.00 0.34 0.00 0.00 59.36 60.52 2ksi h GLU 97 Cb 2.09 -0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 30.63 2ksi h GLU 97 CO -0.65 0.42 -0.33 -0.07 -1.16 0.00 0.00 179.01 177.22 2ksi h LEU 98 N -0.00 -1.07 -0.81 1.33 3.38 -0.36 0.10 115.31 117.88 2ksi h LEU 98 Ca 0.04 0.19 -0.11 0.00 0.09 0.00 0.00 57.88 58.08 2ksi h LEU 98 Cb 0.31 0.50 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 2ksi h LEU 98 CO 0.00 -0.32 -0.54 0.16 0.09 0.00 0.00 178.44 177.83 2ksi h ILE 99 N -0.27 1.27 0.00 1.22 -0.00 -1.45 -2.74 117.51 115.54 2ksi h ILE 99 Ca 0.16 -1.94 0.00 0.00 -0.00 0.00 0.00 64.86 63.08 2ksi h ILE 99 Cb 0.54 2.08 0.00 0.00 -0.00 0.00 0.00 36.82 39.44 2ksi h ILE 99 CO -0.52 0.53 0.00 0.33 -0.00 0.00 0.00 178.15 178.50 2ksi n PHE 100 N -3.72 0.53 0.07 0.16 7.35 0.61 -2.54 117.46 119.93 2ksi n PHE 100 Ca -0.01 0.20 -0.13 0.00 -0.76 0.00 0.00 57.45 56.75 2ksi n PHE 100 Cb 0.58 -0.83 -0.05 0.00 0.35 0.00 0.00 39.48 39.53 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 0.50 -0.23 -2.13 -0.00 -0.56 -3.15 115.31 109.74 2ksi h LEU 101 Ca 0.00 -0.42 0.00 0.00 -0.00 0.00 0.00 57.88 57.46 2ksi h LEU 101 Cb 0.34 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 40.85 2ksi h LEU 101 CO 0.00 1.23 -0.24 0.18 -0.00 0.00 0.00 178.44 179.60 2ksi n LEU 102 N -3.72 0.60 0.19 1.67 4.32 -1.05 -4.09 117.00 114.92 2ksi n LEU 102 Ca -0.07 -0.03 -0.14 0.00 -0.02 0.00 0.00 56.01 55.75 2ksi n LEU 102 Cb 0.85 -0.21 -0.08 0.00 -1.62 0.00 0.00 43.42 42.36 2ksi n LEU 102 CO 0.51 0.12 0.67 -0.33 -1.22 0.00 0.00 177.39 177.14 2ksi h GLU 103 N 0.57 -0.43 0.00 3.23 5.08 -1.48 -2.14 114.58 119.41 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 0.45 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2ksi h GLU 103 CO 0.00 -0.19 0.00 -0.35 -1.00 0.00 0.00 179.01 177.47 2ksi n PRO 104 N -5.22 0.15 0.02 2.33 -0.04 -1.26 -2.04 135.00 128.95 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 0.24 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.11 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 -0.34 0.54 3.72 -1.00 -4.28 117.46 115.00 2ksi n PHE 105 Ca 0.06 0.07 0.01 0.00 -0.05 0.00 0.00 57.45 57.54 2ksi n PHE 105 Cb 0.13 -0.53 0.14 0.00 -0.94 0.00 0.00 39.48 38.29 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 1.10 -0.74 4.37 2.04 -0.79 -1.73 117.51 121.76 2ksi h ILE 106 Ca 0.00 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 2ksi h ILE 106 Cb 0.89 -0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 2ksi h ILE 106 CO 0.00 0.20 0.42 0.00 0.00 0.00 0.00 178.15 178.77 2ksi h ALA 107 N 1.41 1.34 -0.91 1.87 0.00 -1.74 -2.02 119.26 119.21 2ksi h ALA 107 Ca 0.39 -0.10 0.26 0.00 0.00 0.00 0.00 54.91 55.46 2ksi h ALA 107 Cb 0.11 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 2ksi h ALA 107 CO -0.15 0.55 0.65 0.77 0.00 0.00 0.00 179.25 181.06 2ksi h SER 108 N 1.03 0.03 -3.55 0.00 0.02 -1.54 -3.41 113.55 106.12 2ksi h SER 108 Ca 0.26 0.00 -0.44 0.00 -0.84 0.00 0.00 61.79 60.78 2ksi h SER 108 Cb 0.00 -0.00 0.18 0.00 0.14 0.00 0.00 62.40 62.73 2ksi h SER 108 CO -0.04 0.01 0.10 -0.76 -1.14 0.00 0.00 176.83 175.00 2ksi s LEU 109 N -8.59 0.97 0.00 5.07 1.43 -0.76 -5.07 118.68 111.73 2ksi s LEU 109 Ca -0.05 1.16 0.00 0.00 -1.03 0.00 0.00 54.13 54.21 2ksi s LEU 109 Cb 0.22 -3.13 0.00 0.00 0.03 0.00 0.00 46.19 43.31 2ksi s LEU 109 CO 0.77 -3.81 0.42 0.29 0.23 0.00 0.00 176.35 174.26