#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oty s ASN 2 N 0.00 0.08 0.40 7.83 2.20 -1.26 -5.02 114.94 119.16 2oty s ASN 2 Ca 0.00 -1.14 0.09 0.00 -0.94 0.00 0.00 52.86 50.88 2oty s ASN 2 Cb 0.00 0.82 0.87 0.00 -2.00 0.00 0.00 41.25 40.94 2oty s ASN 2 CO 0.00 -1.62 1.97 -0.29 -2.94 0.00 0.00 177.10 174.23 2oty h ILE 3 N 2.01 0.97 -0.06 0.54 6.09 -1.95 0.84 117.51 125.95 2oty h ILE 3 Ca -0.31 -0.20 -0.02 0.00 -1.37 0.00 0.00 64.86 62.97 2oty h ILE 3 Cb 1.25 0.33 -0.00 0.00 0.47 0.00 0.00 36.82 38.87 2oty h ILE 3 CO 0.39 0.11 -0.02 -0.26 -3.07 0.00 0.00 178.15 175.29 2oty h PHE 4 N 0.59 0.13 -0.50 2.19 0.04 -1.99 -1.71 116.94 115.69 2oty h PHE 4 Ca 0.29 -0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.96 2oty h PHE 4 Cb 0.35 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.45 2oty h PHE 4 CO -0.00 0.49 0.07 0.93 -0.60 0.00 0.00 178.31 179.19 2oty h GLU 5 N -0.26 0.80 0.56 1.51 5.08 -1.83 -0.86 114.58 119.57 2oty h GLU 5 Ca 0.01 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 2oty h GLU 5 Cb 0.45 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.60 2oty h GLU 5 CO 0.01 0.76 -0.27 1.98 -1.00 0.00 0.00 179.01 180.49 2oty h MET 6 N 0.76 -0.72 -0.31 2.33 4.05 -0.82 -2.16 114.93 118.06 2oty h MET 6 Ca 0.16 0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.59 2oty h MET 6 Cb 0.37 0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.31 2oty h MET 6 CO 0.01 -0.43 0.03 -0.07 0.23 0.00 0.00 176.91 176.69 2oty h LEU 7 N -0.90 0.42 -0.87 3.39 3.38 -1.27 -1.73 115.31 117.73 2oty h LEU 7 Ca -0.08 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 2oty h LEU 7 Cb 0.63 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 2oty h LEU 7 CO 0.13 0.46 0.50 -0.09 0.09 0.00 0.00 178.44 179.53 2oty h ARG 8 N 0.44 1.20 -0.03 1.13 9.65 -1.04 0.32 114.38 126.06 2oty h ARG 8 Ca 0.10 -0.12 -0.00 0.00 -1.10 0.00 0.00 59.98 58.86 2oty h ARG 8 Cb 0.24 -0.24 -0.00 0.00 -1.39 0.00 0.00 29.97 28.58 2oty h ARG 8 CO 0.00 0.86 0.01 0.82 2.80 0.00 0.00 179.97 184.46 2oty h ILE 9 N 1.21 1.16 0.00 1.20 2.04 -1.02 -1.27 117.51 120.83 2oty h ILE 9 Ca 0.31 -0.48 -0.09 0.00 1.00 0.00 0.00 64.86 65.61 2oty h ILE 9 Cb -0.01 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 2oty h ILE 9 CO -0.05 0.13 -0.42 0.44 0.00 0.00 0.00 178.15 178.24 2oty h ASP 10 N -0.14 0.00 0.00 1.72 3.32 -0.96 -3.31 116.42 117.04 2oty h ASP 10 Ca 0.01 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.86 2oty h ASP 10 Cb 0.20 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 2oty h ASP 10 CO -0.00 0.42 -2.08 -0.62 -1.72 0.00 0.00 179.24 175.24 2oty n GLU 11 N -3.82 0.94 -0.08 3.56 -0.58 0.11 -5.08 120.64 115.69 2oty n GLU 11 Ca -0.01 -0.07 0.01 0.00 -0.42 0.00 0.00 57.16 56.67 2oty n GLU 11 Cb 0.48 -1.45 -0.00 0.00 -0.57 0.00 0.00 31.44 29.90 2oty n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2oty n GLY 12 N 1.74 -1.88 2.84 0.62 0.00 -0.48 -4.36 105.19 103.68 2oty n GLY 12 Ca -0.19 -1.34 -0.17 0.00 0.00 0.00 0.00 46.02 44.32 2oty n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2oty s LEU 13 N 0.00 -0.08 -0.03 0.99 2.96 -1.26 -4.27 118.68 116.99 2oty s LEU 13 Ca 0.00 0.31 0.01 0.00 -0.22 0.00 0.00 54.13 54.23 2oty s LEU 13 Cb 0.00 0.28 0.02 0.00 0.50 0.00 0.00 46.19 46.99 2oty s LEU 13 CO 0.00 -0.25 -0.04 -0.13 -1.32 0.00 0.00 176.35 174.62 2oty s ARG 14 N 2.30 0.63 0.00 1.98 0.52 -0.71 -5.01 118.95 118.65 2oty s ARG 14 Ca 0.03 -0.08 0.24 0.00 -0.52 0.00 0.00 55.73 55.41 2oty s ARG 14 Cb -0.12 -0.67 0.39 0.00 0.52 0.00 0.00 34.95 35.07 2oty s ARG 14 CO -0.06 -0.06 1.33 1.28 0.02 0.00 0.00 175.30 177.82 2oty n LEU 15 N 3.86 1.22 -4.58 2.53 4.77 -1.26 0.33 117.00 123.87 2oty n LEU 15 Ca -0.24 -0.38 -0.30 0.00 -0.03 0.00 0.00 56.01 55.06 2oty n LEU 15 Cb 0.52 -0.09 -0.10 0.00 -2.33 0.00 0.00 43.42 41.42 2oty n LEU 15 CO 0.24 0.24 -0.42 -0.54 -1.33 0.00 0.00 177.39 175.58 2oty s LYS 16 N -2.63 2.16 0.06 3.23 1.02 -1.26 -1.30 119.74 121.01 2oty s LYS 16 Ca 0.19 -1.01 -0.35 0.00 0.02 0.00 0.00 55.97 54.82 2oty s LYS 16 Cb 0.18 -2.32 -0.14 0.00 -0.52 0.00 0.00 37.83 35.03 2oty s LYS 16 CO 0.60 0.51 1.59 -0.89 -0.92 0.00 0.00 175.35 176.25 2oty n ILE 17 N 0.73 0.14 -4.30 2.17 5.41 -0.98 -4.70 119.36 117.82 2oty n ILE 17 Ca -0.13 -0.02 -0.16 0.00 1.00 0.00 0.00 62.75 63.44 2oty n ILE 17 Cb 0.52 -1.40 -0.10 0.00 -0.71 0.00 0.00 39.64 37.95 2oty n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 2oty s TYR 18 N 1.62 1.46 -0.14 1.39 1.13 -0.24 -4.96 117.35 117.62 2oty s TYR 18 Ca 0.84 -1.18 -0.12 0.00 -1.41 0.00 0.00 57.07 55.21 2oty s TYR 18 Cb -0.78 -0.84 -0.05 0.00 -1.10 0.00 0.00 41.96 39.19 2oty s TYR 18 CO 0.45 -0.34 0.24 0.15 -2.51 0.00 0.00 175.55 173.54 2oty s LYS 19 N -4.03 4.02 0.05 -3.49 1.02 -1.26 -0.38 119.74 115.68 2oty s LYS 19 Ca 0.36 0.02 -0.01 0.00 0.02 0.00 0.00 55.97 56.37 2oty s LYS 19 Cb 0.08 -3.35 0.01 0.00 -0.52 0.00 0.00 37.83 34.05 2oty s LYS 19 CO 0.12 0.43 0.06 -0.40 -0.92 0.00 0.00 175.35 174.64 2oty n ASP 20 N 2.98 -0.56 0.28 2.83 5.68 0.55 -4.79 116.55 123.52 2oty n ASP 20 Ca -0.15 -0.76 0.15 0.00 -0.50 0.00 0.00 54.79 53.53 2oty n ASP 20 Cb 0.53 -0.05 0.80 0.00 -1.14 0.00 0.00 41.12 41.26 2oty n ASP 20 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 2oty h THR 21 N -1.32 0.38 -0.14 2.12 1.35 -1.99 -1.17 112.91 112.14 2oty h THR 21 Ca -0.02 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 2oty h THR 21 Cb 0.06 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 2oty h THR 21 CO 0.01 0.08 0.00 -0.62 -0.25 0.00 0.00 175.52 174.74 2oty n GLU 22 N -3.45 2.11 -0.77 4.72 -0.58 -1.26 -4.94 120.64 116.46 2oty n GLU 22 Ca -0.02 -1.64 0.00 0.00 -0.42 0.00 0.00 57.16 55.09 2oty n GLU 22 Cb 0.22 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 2oty n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2oty n GLY 23 N 1.31 0.56 3.83 0.62 0.00 -0.44 -5.06 105.19 106.01 2oty n GLY 23 Ca 0.17 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 2oty n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2oty s TYR 24 N -2.00 3.64 0.24 1.61 2.02 -1.26 -4.71 117.35 116.89 2oty s TYR 24 Ca 0.00 0.76 -0.31 0.00 -0.37 0.00 0.00 57.07 57.14 2oty s TYR 24 Cb 0.00 -2.17 -0.12 0.00 -0.40 0.00 0.00 41.96 39.27 2oty s TYR 24 CO 0.00 0.61 1.64 0.66 -1.57 0.00 0.00 175.55 176.88 2oty n TYR 25 N 2.18 2.72 -3.72 2.71 4.01 -1.24 -0.33 117.16 123.50 2oty n TYR 25 Ca -0.16 0.18 -0.11 0.00 -0.16 0.00 0.00 57.90 57.65 2oty n TYR 25 Cb 0.53 -2.62 -0.06 0.00 -0.31 0.00 0.00 39.34 36.88 2oty n TYR 25 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2oty s THR 26 N 0.55 0.09 0.15 -0.72 2.01 0.49 -0.97 115.64 117.24 2oty s THR 26 Ca 0.70 -0.73 -0.08 0.00 0.31 0.00 0.00 61.69 61.90 2oty s THR 26 Cb -0.52 -1.10 -0.01 0.00 0.01 0.00 0.00 72.50 70.87 2oty s THR 26 CO 0.41 -0.40 0.24 -0.51 -0.69 0.00 0.00 174.62 173.67 2oty s ILE 27 N -3.24 0.08 0.00 1.82 2.07 -0.49 -1.07 121.20 120.37 2oty s ILE 27 Ca -0.00 -1.42 0.00 0.00 -1.41 0.00 0.00 60.65 57.82 2oty s ILE 27 Cb 0.01 -1.79 0.00 0.00 0.13 0.00 0.00 42.46 40.81 2oty s ILE 27 CO -0.08 -0.37 0.00 0.61 -1.91 0.00 0.00 174.94 173.19 2oty n GLY 28 N -0.18 2.57 3.08 1.50 0.00 0.15 -1.18 105.19 111.13 2oty n GLY 28 Ca -0.08 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 2oty n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2oty n ILE 29 N 0.00 4.49 -2.81 -0.61 5.41 -1.26 -1.74 119.36 122.84 2oty n ILE 29 Ca 0.00 -5.58 -0.21 0.00 1.00 0.00 0.00 62.75 57.96 2oty n ILE 29 Cb 0.00 -2.29 0.02 0.00 -0.71 0.00 0.00 39.64 36.66 2oty n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2oty n GLY 30 N 1.86 -0.49 3.52 7.39 0.00 -1.24 -4.88 105.19 111.36 2oty n GLY 30 Ca 0.25 0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.92 2oty n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2oty s HIS 31 N -3.12 2.44 0.10 1.61 5.04 -0.33 -4.93 115.29 116.10 2oty s HIS 31 Ca 0.20 -0.16 -0.31 0.00 -1.54 0.00 0.00 55.06 53.25 2oty s HIS 31 Cb -0.09 -4.50 -0.09 0.00 0.04 0.00 0.00 32.58 27.94 2oty s HIS 31 CO 0.25 -1.89 1.67 -1.17 -2.34 0.00 0.00 174.74 171.26 2oty s LEU 32 N 5.11 4.37 -0.17 8.88 2.96 -1.26 -1.40 118.68 137.17 2oty s LEU 32 Ca 0.32 2.57 -0.15 0.00 -0.22 0.00 0.00 54.13 56.65 2oty s LEU 32 Cb -0.11 -3.57 -0.22 0.00 0.50 0.00 0.00 46.19 42.79 2oty s LEU 32 CO 0.14 -0.90 0.27 0.18 -1.32 0.00 0.00 176.35 174.73 2oty n LEU 33 N 5.24 2.22 -3.58 -0.68 4.77 -0.14 -4.96 117.00 119.88 2oty n LEU 33 Ca 0.16 0.32 -0.07 0.00 -0.03 0.00 0.00 56.01 56.39 2oty n LEU 33 Cb 0.39 -1.04 -0.03 0.00 -2.33 0.00 0.00 43.42 40.41 2oty n LEU 33 CO 0.63 0.55 0.87 0.28 -1.33 0.00 0.00 177.39 178.39 2oty s THR 34 N -2.46 0.00 -2.64 -5.08 -1.32 -1.21 -4.88 115.64 98.04 2oty s THR 34 Ca -0.26 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 60.48 2oty s THR 34 Cb 0.06 -1.00 0.41 0.00 -1.51 0.00 0.00 72.50 70.47 2oty s THR 34 CO 0.67 0.00 1.54 0.29 -2.21 0.00 0.00 174.62 174.91 2oty n LYS 35 N 0.28 1.95 -2.11 7.08 5.02 -1.26 -3.59 118.16 125.53 2oty n LYS 35 Ca -0.06 -1.38 -0.41 0.00 -2.02 0.00 0.00 58.31 54.44 2oty n LYS 35 Cb 0.59 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 34.11 2oty n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2oty s SER 36 N -1.93 6.77 0.00 4.39 0.15 -1.26 -4.92 113.70 116.90 2oty s SER 36 Ca 0.34 2.58 0.19 0.00 0.70 0.00 0.00 55.95 59.76 2oty s SER 36 Cb 0.20 -2.62 1.11 0.00 -1.71 0.00 0.00 66.02 63.00 2oty s SER 36 CO 0.31 -0.60 1.53 -0.81 1.20 0.00 0.00 173.24 174.87 2oty n PRO 37 N 2.06 0.56 -2.94 5.44 -0.04 -1.26 -4.72 135.00 134.10 2oty n PRO 37 Ca 0.05 0.01 -0.42 0.00 -0.04 0.00 0.00 63.50 63.10 2oty n PRO 37 Cb 0.41 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.33 2oty n PRO 37 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2oty s SER 38 N -2.06 6.67 0.26 3.54 0.15 -1.26 -4.94 113.70 116.05 2oty s SER 38 Ca 0.27 0.67 -0.03 0.00 0.70 0.00 0.00 55.95 57.56 2oty s SER 38 Cb 0.13 -2.41 0.32 0.00 -1.71 0.00 0.00 66.02 62.35 2oty s SER 38 CO 0.23 -0.62 1.78 0.25 1.20 0.00 0.00 173.24 176.07 2oty h LEU 39 N 9.48 0.84 -0.85 3.45 5.85 -1.99 -1.74 115.31 130.34 2oty h LEU 39 Ca -0.24 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.33 2oty h LEU 39 Cb 1.10 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.86 2oty h LEU 39 CO 0.89 0.84 0.55 0.78 -0.34 0.00 0.00 178.44 181.16 2oty h ASN 40 N 0.85 0.93 -0.78 1.25 2.35 -1.98 0.11 115.58 118.32 2oty h ASN 40 Ca 0.18 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.87 2oty h ASN 40 Cb 0.36 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 2oty h ASN 40 CO 0.01 0.66 0.32 0.00 -1.65 0.00 0.00 177.43 176.77 2oty h ALA 41 N 1.34 1.01 -0.46 -0.83 0.00 -1.86 -1.51 119.26 116.93 2oty h ALA 41 Ca 0.33 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2oty h ALA 41 Cb -0.05 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 2oty h ALA 41 CO -0.10 0.62 0.10 0.00 0.00 0.00 0.00 179.25 179.88 2oty h ALA 42 N 1.17 0.61 -0.59 0.00 0.00 -0.83 -1.81 119.26 117.80 2oty h ALA 42 Ca 0.26 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2oty h ALA 42 Cb 0.19 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2oty h ALA 42 CO -0.02 0.31 0.29 0.87 0.00 0.00 0.00 179.25 180.69 2oty h LYS 43 N 0.62 0.83 -0.22 0.00 1.57 -0.57 -0.78 116.57 118.02 2oty h LYS 43 Ca 0.14 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2oty h LYS 43 Cb 0.34 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2oty h LYS 43 CO 0.00 0.64 0.05 1.03 -0.57 0.00 0.00 179.45 180.61 2oty h SER 44 N 0.83 0.34 -0.94 0.86 0.87 -1.05 -1.43 113.55 113.03 2oty h SER 44 Ca 0.21 -0.23 0.04 0.00 -1.23 0.00 0.00 61.79 60.57 2oty h SER 44 Cb 0.08 -0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 61.89 2oty h SER 44 CO -0.03 0.48 0.61 -0.33 -0.53 0.00 0.00 176.83 177.03 2oty h GLU 45 N 0.17 1.13 0.02 2.24 4.39 -0.94 -0.81 114.58 120.79 2oty h GLU 45 Ca 0.07 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2oty h GLU 45 Cb 0.28 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2oty h GLU 45 CO 0.00 0.75 -0.01 1.25 -1.16 0.00 0.00 179.01 179.84 2oty h LEU 46 N 1.17 -0.02 -0.93 1.33 5.85 -1.00 -0.52 115.31 121.19 2oty h LEU 46 Ca 0.38 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 59.07 2oty h LEU 46 Cb 0.03 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 2oty h LEU 46 CO -0.13 0.04 0.61 0.44 -0.34 0.00 0.00 178.44 179.06 2oty h ASP 47 N -0.08 1.04 -0.55 1.25 3.32 -0.97 -0.96 116.42 119.47 2oty h ASP 47 Ca -0.00 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 2oty h ASP 47 Cb 0.07 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 2oty h ASP 47 CO 0.00 0.74 0.25 0.50 -1.72 0.00 0.00 179.24 179.01 2oty h LYS 48 N 1.22 0.81 -0.35 3.56 3.64 -0.96 0.62 116.57 125.11 2oty h LYS 48 Ca 0.35 -0.13 -0.12 0.00 -1.27 0.00 0.00 60.65 59.48 2oty h LYS 48 Cb -0.09 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 2oty h LYS 48 CO -0.09 0.68 -0.28 0.00 -2.27 0.00 0.00 179.45 177.49 2oty h ALA 49 N 1.09 0.84 0.00 5.00 0.00 -0.46 -3.30 119.26 122.44 2oty h ALA 49 Ca 0.19 -0.40 -0.25 0.00 0.00 0.00 0.00 54.91 54.45 2oty h ALA 49 Cb 0.16 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2oty h ALA 49 CO -0.02 0.64 -1.54 0.82 0.00 0.00 0.00 179.25 179.15 2oty h ILE 50 N 0.63 0.88 0.00 0.00 1.08 -1.14 -3.49 117.51 115.47 2oty h ILE 50 Ca 0.08 -2.64 0.00 0.00 -0.39 0.00 0.00 64.86 61.91 2oty h ILE 50 Cb 0.80 2.39 0.00 0.00 -3.07 0.00 0.00 36.82 36.94 2oty h ILE 50 CO 0.07 0.50 0.00 0.61 -0.69 0.00 0.00 178.15 178.64 2oty n GLY 51 N 1.49 0.63 3.53 5.37 0.00 0.20 -5.06 105.19 111.35 2oty n GLY 51 Ca -0.13 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 2oty n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2oty s ARG 52 N -1.18 1.42 -0.65 1.61 1.70 -1.15 -5.05 118.95 115.65 2oty s ARG 52 Ca 0.00 -1.02 -0.27 0.00 -0.47 0.00 0.00 55.73 53.97 2oty s ARG 52 Cb 0.00 0.49 0.02 0.00 -0.57 0.00 0.00 34.95 34.89 2oty s ARG 52 CO 0.00 -0.59 1.42 1.21 -1.08 0.00 0.00 175.30 176.26 2oty s ASN 53 N -2.93 6.01 0.13 -2.89 2.47 -1.26 -4.39 114.94 112.07 2oty s ASN 53 Ca 0.14 -0.06 0.19 0.00 0.42 0.00 0.00 52.86 53.55 2oty s ASN 53 Cb -0.01 -2.55 -0.07 0.00 -1.45 0.00 0.00 41.25 37.17 2oty s ASN 53 CO 0.01 -1.87 0.93 0.71 -3.72 0.00 0.00 177.10 173.16 2oty h THR 54 N 6.29 0.30 -5.66 -5.21 1.35 -1.91 -3.48 112.91 104.59 2oty h THR 54 Ca -0.27 -1.59 -0.42 0.00 -0.55 0.00 0.00 66.41 63.58 2oty h THR 54 Cb 1.08 1.82 0.05 0.00 -1.73 0.00 0.00 68.15 69.38 2oty h THR 54 CO 1.23 0.17 -0.68 -0.46 -0.25 0.00 0.00 175.52 175.53 2oty n ASN 55 N -2.81 -5.69 0.00 5.36 0.23 -1.26 -2.76 115.26 108.33 2oty n ASN 55 Ca -0.05 -0.54 0.00 0.00 -0.53 0.00 0.00 54.58 53.45 2oty n ASN 55 Cb 0.72 -4.53 0.00 0.00 -2.08 0.00 0.00 39.78 33.89 2oty n ASN 55 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2oty n GLY 56 N -1.75 0.64 3.14 4.83 0.00 -1.26 -5.01 105.19 105.77 2oty n GLY 56 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 2oty n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oty s VAL 57 N -2.73 1.39 0.26 1.61 1.01 -1.11 -2.33 120.40 118.50 2oty s VAL 57 Ca 0.00 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.30 2oty s VAL 57 Cb 0.00 -1.18 -0.05 0.00 0.00 0.00 0.00 36.38 35.14 2oty s VAL 57 CO 0.00 0.40 0.04 0.27 0.00 0.00 0.00 175.10 175.81 2oty s ILE 58 N -0.10 0.95 0.57 2.22 -4.36 -0.42 -4.77 121.20 115.29 2oty s ILE 58 Ca -0.00 -2.02 -0.01 0.00 -0.26 0.00 0.00 60.65 58.36 2oty s ILE 58 Cb -0.10 -2.54 0.03 0.00 1.25 0.00 0.00 42.46 41.11 2oty s ILE 58 CO 0.01 -0.16 0.82 0.42 0.24 0.00 0.00 174.94 176.28 2oty s THR 59 N -3.48 2.92 0.18 8.37 -4.23 -1.26 -4.76 115.64 113.38 2oty s THR 59 Ca 0.33 -0.48 -0.13 0.00 -1.18 0.00 0.00 61.69 60.23 2oty s THR 59 Cb 0.07 -3.13 0.09 0.00 1.34 0.00 0.00 72.50 70.87 2oty s THR 59 CO 0.12 -0.11 1.82 0.50 -0.54 0.00 0.00 174.62 176.41 2oty h LYS 60 N -0.04 0.83 -0.38 3.99 3.64 -1.99 -0.91 116.57 121.70 2oty h LYS 60 Ca -0.44 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 58.88 2oty h LYS 60 Cb 1.29 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 2oty h LYS 60 CO 0.56 0.60 0.23 -0.44 -2.27 0.00 0.00 179.45 178.12 2oty h ASP 61 N 0.82 0.38 -0.76 4.20 5.19 -1.99 -0.55 116.42 123.71 2oty h ASP 61 Ca 0.22 -0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.63 2oty h ASP 61 Cb -0.01 -0.08 -0.04 0.00 0.18 0.00 0.00 39.33 39.38 2oty h ASP 61 CO -0.04 0.28 0.50 -0.33 -3.12 0.00 0.00 179.24 176.52 2oty h GLU 62 N 0.47 1.01 -0.55 3.56 5.08 -1.91 -0.22 114.58 122.02 2oty h GLU 62 Ca 0.15 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 2oty h GLU 62 Cb -0.01 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 28.98 2oty h GLU 62 CO -0.06 0.67 0.35 0.00 -1.00 0.00 0.00 179.01 178.97 2oty h ALA 63 N 1.27 0.71 -0.09 3.43 0.00 -0.65 -1.62 119.26 122.31 2oty h ALA 63 Ca 0.28 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 2oty h ALA 63 Cb -0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2oty h ALA 63 CO -0.06 0.09 -0.49 0.93 0.00 0.00 0.00 179.25 179.72 2oty h GLU 64 N 0.70 0.22 0.11 0.00 5.08 -0.73 -1.01 114.58 118.95 2oty h GLU 64 Ca 0.21 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2oty h GLU 64 Cb -0.02 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2oty h GLU 64 CO -0.08 0.66 -0.05 -0.22 -1.00 0.00 0.00 179.01 178.33 2oty h LYS 65 N 0.18 -0.14 -0.82 2.33 3.64 -0.67 -1.01 116.57 120.09 2oty h LYS 65 Ca 0.01 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.46 2oty h LYS 65 Cb 0.93 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.72 2oty h LYS 65 CO 0.07 0.08 0.50 -0.07 -2.27 0.00 0.00 179.45 177.76 2oty h LEU 66 N -0.34 0.78 -0.21 5.20 3.38 -1.16 -2.47 115.31 120.50 2oty h LEU 66 Ca -0.01 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2oty h LEU 66 Cb 0.28 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2oty h LEU 66 CO 0.02 0.51 0.10 0.15 0.09 0.00 0.00 178.44 179.31 2oty h PHE 67 N 0.92 0.18 -0.62 1.13 3.57 -0.99 0.62 116.94 121.75 2oty h PHE 67 Ca 0.35 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.91 2oty h PHE 67 Cb 0.15 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.79 2oty h PHE 67 CO -0.04 0.10 0.34 -0.97 -2.23 0.00 0.00 178.31 175.51 2oty h ASN 68 N 0.21 0.52 -0.60 0.41 -0.00 -1.02 -0.26 115.58 114.83 2oty h ASN 68 Ca 0.08 0.02 -0.03 0.00 -0.00 0.00 0.00 56.30 56.38 2oty h ASN 68 Cb 0.03 -0.08 -0.03 0.00 -0.00 0.00 0.00 38.32 38.24 2oty h ASN 68 CO -0.06 0.34 0.26 1.56 -0.00 0.00 0.00 177.43 179.53 2oty h GLN 69 N 0.65 0.89 -0.28 6.67 4.20 -1.03 -1.77 115.11 124.44 2oty h GLN 69 Ca 0.27 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 2oty h GLN 69 Cb 0.14 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 2oty h GLN 69 CO -0.16 0.75 0.04 -0.44 -0.67 0.00 0.00 178.83 178.35 2oty h ASP 70 N 0.83 0.45 -0.06 1.46 3.32 -0.33 -0.19 116.42 121.91 2oty h ASP 70 Ca 0.20 -0.26 0.01 0.00 0.02 0.00 0.00 57.03 57.00 2oty h ASP 70 Cb 0.18 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2oty h ASP 70 CO -0.02 0.60 0.01 0.58 -1.72 0.00 0.00 179.24 178.69 2oty h VAL 71 N 0.29 0.98 -0.12 -1.35 2.07 -1.03 -0.79 116.25 116.28 2oty h VAL 71 Ca 0.09 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.64 2oty h VAL 71 Cb 0.34 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 2oty h VAL 71 CO 0.01 0.01 -0.17 -0.78 0.02 0.00 0.00 177.57 176.65 2oty h ASP 72 N 0.04 -0.52 -0.29 0.57 3.58 -1.15 -1.69 116.42 116.95 2oty h ASP 72 Ca 0.03 0.09 -0.04 0.00 0.42 0.00 0.00 57.03 57.53 2oty h ASP 72 Cb 0.02 0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.29 2oty h ASP 72 CO -0.03 -0.22 0.05 0.00 -2.88 0.00 0.00 179.24 176.16 2oty h ALA 73 N 0.82 1.38 -0.08 -0.78 0.00 -0.93 -1.15 119.26 118.53 2oty h ALA 73 Ca 0.09 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2oty h ALA 73 Cb 0.35 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2oty h ALA 73 CO -0.25 0.44 0.03 0.00 0.00 0.00 0.00 179.25 179.47 2oty h ALA 74 N 1.50 0.10 -0.32 0.00 0.00 -0.63 -0.55 119.26 119.36 2oty h ALA 74 Ca 0.13 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 2oty h ALA 74 Cb 0.28 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2oty h ALA 74 CO 0.00 -0.32 -0.41 -0.24 0.00 0.00 0.00 179.25 178.28 2oty h VAL 75 N -0.01 1.28 -0.72 0.00 3.04 -1.12 -2.16 116.25 116.55 2oty h VAL 75 Ca 0.03 -1.58 -0.04 0.00 -1.01 0.00 0.00 66.70 64.09 2oty h VAL 75 Cb 0.15 1.47 -0.03 0.00 -2.01 0.00 0.00 31.29 30.86 2oty h VAL 75 CO -0.00 0.52 0.27 -0.09 -1.01 0.00 0.00 177.57 177.26 2oty h ARG 76 N 0.64 1.08 -0.70 4.17 9.65 -1.16 -2.19 114.38 125.87 2oty h ARG 76 Ca 0.05 -0.19 0.02 0.00 -1.10 0.00 0.00 59.98 58.75 2oty h ARG 76 Cb 0.97 -0.18 -0.04 0.00 -1.39 0.00 0.00 29.97 29.33 2oty h ARG 76 CO 0.09 0.88 0.46 0.78 2.80 0.00 0.00 179.97 184.98 2oty h GLY 77 N 1.10 1.00 0.38 2.80 0.00 -0.95 -1.75 103.07 105.65 2oty h GLY 77 Ca 0.24 -0.35 0.06 0.00 0.00 0.00 0.00 47.33 47.27 2oty h GLY 77 CO -0.02 0.33 -0.12 -2.22 0.00 0.00 0.00 176.54 174.52 2oty h ILE 78 N 0.92 0.63 0.00 2.60 2.04 -0.87 -1.71 117.51 121.11 2oty h ILE 78 Ca 0.27 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.09 2oty h ILE 78 Cb -0.06 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 2oty h ILE 78 CO -0.08 0.00 -0.18 -0.07 0.00 0.00 0.00 178.15 177.82 2oty h LEU 79 N -0.08 0.00 -0.26 1.44 3.38 -1.05 -1.74 115.31 117.00 2oty h LEU 79 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2oty h LEU 79 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2oty h LEU 79 CO -0.30 0.18 -0.18 0.54 0.09 0.00 0.00 178.44 178.77 2oty n ARG 80 N -4.17 0.60 -3.53 1.13 1.74 -0.69 -4.76 116.66 106.99 2oty n ARG 80 Ca -0.02 -0.26 -0.41 0.00 -0.77 0.00 0.00 57.85 56.39 2oty n ARG 80 Cb 0.25 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 30.09 2oty n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2oty s ASN 81 N -2.58 6.04 0.56 0.55 3.84 -0.66 -4.97 114.94 117.72 2oty s ASN 81 Ca 0.25 -0.49 0.29 0.00 0.21 0.00 0.00 52.86 53.12 2oty s ASN 81 Cb 0.19 -2.13 1.68 0.00 -0.55 0.00 0.00 41.25 40.44 2oty s ASN 81 CO 0.51 -0.26 2.18 0.00 -2.79 0.00 0.00 177.10 176.75 2oty h ALA 82 N 8.50 1.42 0.00 1.71 0.00 -1.86 0.13 119.26 129.16 2oty h ALA 82 Ca -0.31 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2oty h ALA 82 Cb 1.15 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 2oty h ALA 82 CO 0.64 0.06 -0.60 1.57 0.00 0.00 0.00 179.25 180.93 2oty h LYS 83 N 0.00 0.00 0.00 0.00 -0.00 -1.93 -3.39 116.57 111.25 2oty h LYS 83 Ca -0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 60.65 60.27 2oty h LYS 83 Cb 0.14 0.00 -0.07 0.00 -0.00 0.00 0.00 32.23 32.30 2oty h LYS 83 CO 0.01 0.02 -2.44 1.28 -0.00 0.00 0.00 179.45 178.32 2oty n LEU 84 N -2.87 2.34 -0.11 7.07 4.77 -0.45 -4.65 117.00 123.11 2oty n LEU 84 Ca 0.01 -0.11 -0.05 0.00 -0.03 0.00 0.00 56.01 55.83 2oty n LEU 84 Cb 0.55 -0.60 0.01 0.00 -2.33 0.00 0.00 43.42 41.05 2oty n LEU 84 CO 0.38 0.84 0.78 0.50 -1.33 0.00 0.00 177.39 178.56 2oty h LYS 85 N 0.00 -0.02 -0.75 3.23 3.64 -0.76 -1.14 116.57 120.76 2oty h LYS 85 Ca -0.57 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.79 2oty h LYS 85 Cb 1.96 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.75 2oty h LYS 85 CO -0.06 -0.01 0.35 -1.35 -2.27 0.00 0.00 179.45 176.10 2oty h PRO 86 N -0.02 1.08 -0.09 1.90 0.11 -1.83 0.03 132.00 133.18 2oty h PRO 86 Ca 0.18 -0.16 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 2oty h PRO 86 Cb 0.29 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.20 2oty h PRO 86 CO -0.39 0.84 0.00 0.28 -0.21 0.00 0.00 178.00 178.52 2oty h VAL 87 N 1.07 1.25 -0.25 3.15 2.07 -1.71 -1.83 116.25 120.00 2oty h VAL 87 Ca 0.26 -0.79 0.04 0.00 0.82 0.00 0.00 66.70 67.03 2oty h VAL 87 Cb 0.12 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 2oty h VAL 87 CO -0.03 0.22 -0.00 0.22 0.02 0.00 0.00 177.57 178.00 2oty h TYR 88 N -0.11 -0.02 0.00 1.57 3.20 -0.90 -1.73 116.97 118.98 2oty h TYR 88 Ca 0.03 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 2oty h TYR 88 Cb 0.35 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.66 2oty h TYR 88 CO 0.03 -0.04 -0.12 -0.44 -1.64 0.00 0.00 178.16 175.95 2oty h ASP 89 N 0.07 0.00 1.18 -2.11 3.32 -0.94 -1.80 116.42 116.15 2oty h ASP 89 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2oty h ASP 89 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 2oty h ASP 89 CO -0.21 0.12 0.00 0.77 -1.72 0.00 0.00 179.24 178.20 2oty h SER 90 N 0.00 0.00 -3.67 6.45 4.64 -0.42 -3.46 113.55 117.09 2oty h SER 90 Ca -0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 2oty h SER 90 Cb 0.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 2oty h SER 90 CO 0.02 0.00 0.08 -0.76 -0.87 0.00 0.00 176.83 175.30 2oty s LEU 91 N -5.63 3.96 0.97 5.97 1.43 -0.68 -5.07 118.68 119.64 2oty s LEU 91 Ca 0.04 1.15 -0.12 0.00 -1.03 0.00 0.00 54.13 54.17 2oty s LEU 91 Cb 0.09 -3.99 0.17 0.00 0.03 0.00 0.00 46.19 42.48 2oty s LEU 91 CO 0.54 -0.29 1.10 1.51 0.23 0.00 0.00 176.35 179.43 2oty s ASP 92 N -2.76 2.87 0.37 2.29 -4.77 -1.26 -4.82 116.67 108.60 2oty s ASP 92 Ca 0.52 1.23 0.07 0.00 -3.30 0.00 0.00 52.55 51.07 2oty s ASP 92 Cb -0.10 -1.90 0.72 0.00 -1.09 0.00 0.00 42.92 40.55 2oty s ASP 92 CO 0.25 -2.98 1.93 0.00 0.70 0.00 0.00 175.17 175.07 2oty h ALA 93 N -1.79 1.49 0.00 2.11 0.00 -1.98 -1.05 119.26 118.04 2oty h ALA 93 Ca -0.53 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.22 2oty h ALA 93 Cb 1.32 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2oty h ALA 93 CO 0.57 0.37 -0.00 0.28 0.00 0.00 0.00 179.25 180.47 2oty h VAL 94 N 0.42 1.35 -0.06 0.00 2.07 -1.94 -2.78 116.25 115.32 2oty h VAL 94 Ca 0.10 -1.05 -0.06 0.00 0.82 0.00 0.00 66.70 66.51 2oty h VAL 94 Cb 0.25 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 2oty h VAL 94 CO 0.00 0.27 -0.22 0.03 0.02 0.00 0.00 177.57 177.68 2oty h ARG 95 N -0.45 0.10 -0.94 1.57 3.08 -1.79 -2.09 114.38 113.86 2oty h ARG 95 Ca -0.00 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.10 2oty h ARG 95 Cb 0.45 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.42 2oty h ARG 95 CO 0.00 0.32 0.59 0.00 -1.07 0.00 0.00 179.97 179.81 2oty h ARG 96 N 0.09 1.02 -0.60 0.04 3.08 -1.13 -1.25 114.38 115.63 2oty h ARG 96 Ca 0.02 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 2oty h ARG 96 Cb 0.45 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 2oty h ARG 96 CO 0.03 0.67 0.22 0.00 -1.07 0.00 0.00 179.97 179.82 2oty h ALA 97 N 1.45 0.78 -0.94 0.04 0.00 -1.10 -1.06 119.26 118.43 2oty h ALA 97 Ca 0.42 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.22 2oty h ALA 97 Cb 0.22 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 2oty h ALA 97 CO -0.19 0.42 0.59 0.00 0.00 0.00 0.00 179.25 180.07 2oty h ALA 98 N 1.08 1.32 -0.42 0.00 0.00 -1.20 0.12 119.26 120.15 2oty h ALA 98 Ca 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2oty h ALA 98 Cb 0.24 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2oty h ALA 98 CO -0.01 0.33 0.21 0.00 0.00 0.00 0.00 179.25 179.78 2oty h ALA 99 N 1.45 0.54 -0.63 0.00 0.00 -0.73 -2.28 119.26 117.61 2oty h ALA 99 Ca 0.42 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 2oty h ALA 99 Cb 0.23 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2oty h ALA 99 CO -0.19 0.09 0.12 0.82 0.00 0.00 0.00 179.25 180.09 2oty h ILE 100 N 0.54 1.26 -0.21 0.00 2.04 -0.63 -2.44 117.51 118.07 2oty h ILE 100 Ca 0.15 -0.98 0.05 0.00 1.00 0.00 0.00 64.86 65.07 2oty h ILE 100 Cb 0.10 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 36.80 2oty h ILE 100 CO -0.02 0.37 -0.14 -1.13 0.00 0.00 0.00 178.15 177.23 2oty h ASN 101 N 0.94 -0.45 -0.45 1.72 -0.73 -0.62 0.47 115.58 116.46 2oty h ASN 101 Ca 0.19 0.10 0.02 0.00 1.87 0.00 0.00 56.30 58.48 2oty h ASN 101 Cb 0.41 0.23 -0.03 0.00 0.27 0.00 0.00 38.32 39.20 2oty h ASN 101 CO 0.01 -0.18 0.27 0.24 -0.37 0.00 0.00 177.43 177.40 2oty h MET 102 N -0.13 0.52 -0.64 6.67 2.86 -1.20 -1.67 114.93 121.33 2oty h MET 102 Ca 0.12 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.66 2oty h MET 102 Cb 0.31 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.83 2oty h MET 102 CO -0.29 0.34 0.12 0.28 1.06 0.00 0.00 176.91 178.42 2oty h VAL 103 N 0.53 1.26 -0.67 -2.22 2.07 -1.14 -1.00 116.25 115.08 2oty h VAL 103 Ca 0.18 -1.00 0.08 0.00 0.82 0.00 0.00 66.70 66.78 2oty h VAL 103 Cb 0.02 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 30.40 2oty h VAL 103 CO -0.09 0.37 0.34 0.15 0.02 0.00 0.00 177.57 178.36 2oty h PHE 104 N 0.96 0.61 0.01 1.57 3.04 -0.61 0.39 116.94 122.91 2oty h PHE 104 Ca 0.20 0.03 -0.18 0.00 3.98 0.00 0.00 57.97 61.99 2oty h PHE 104 Cb 0.41 -0.17 0.01 0.00 2.56 0.00 0.00 35.95 38.76 2oty h PHE 104 CO 0.03 0.25 -0.70 0.37 -2.02 0.00 0.00 178.31 176.23 2oty h GLN 105 N 0.60 0.46 0.00 1.11 4.15 -0.98 -3.39 115.11 117.06 2oty h GLN 105 Ca 0.32 -0.51 0.00 0.00 0.77 0.00 0.00 58.65 59.23 2oty h GLN 105 Cb 0.29 0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.13 2oty h GLN 105 CO -0.23 1.16 -0.77 -1.33 -1.93 0.00 0.00 178.83 175.72 2oty n MET 106 N -4.14 2.67 -0.44 1.69 2.81 -0.41 -5.11 117.12 114.19 2oty n MET 106 Ca -0.11 -0.03 0.06 0.00 -1.81 0.00 0.00 57.70 55.81 2oty n MET 106 Cb 0.72 -1.06 -0.02 0.00 -0.71 0.00 0.00 33.22 32.15 2oty n MET 106 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2oty n GLY 107 N 1.43 -2.17 0.29 3.03 0.00 0.14 -2.64 105.19 105.27 2oty n GLY 107 Ca 0.01 -1.38 0.02 0.00 0.00 0.00 0.00 46.02 44.67 2oty n GLY 107 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2oty h GLU 108 N -0.42 0.54 -0.30 1.61 5.08 -1.94 -2.25 114.58 116.89 2oty h GLU 108 Ca -0.03 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 2oty h GLU 108 Cb 0.42 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2oty h GLU 108 CO 0.02 0.44 -0.20 1.79 -1.00 0.00 0.00 179.01 180.05 2oty h THR 109 N 0.54 1.26 -0.25 1.13 1.35 -1.97 -1.85 112.91 113.12 2oty h THR 109 Ca 0.14 -1.22 -0.11 0.00 -0.55 0.00 0.00 66.41 64.67 2oty h THR 109 Cb 0.09 1.25 -0.01 0.00 -1.73 0.00 0.00 68.15 67.74 2oty h THR 109 CO -0.02 0.40 -0.29 1.23 -0.25 0.00 0.00 175.52 176.59 2oty h GLY 110 N 0.99 0.55 2.00 5.82 0.00 -1.23 -2.92 103.07 108.28 2oty h GLY 110 Ca 0.08 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.93 2oty h GLY 110 CO 0.04 0.43 0.00 -2.08 0.00 0.00 0.00 176.54 174.94 2oty h VAL 111 N 0.44 0.00 -0.31 4.60 2.07 -1.09 -3.29 116.25 118.68 2oty h VAL 111 Ca 0.06 -0.69 0.07 0.00 0.82 0.00 0.00 66.70 66.96 2oty h VAL 111 Cb 0.73 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 2oty h VAL 111 CO 0.06 0.00 0.22 0.00 0.02 0.00 0.00 177.57 177.86 2oty h ALA 112 N 2.14 2.16 0.00 1.67 0.00 -1.14 -0.63 119.26 123.47 2oty h ALA 112 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2oty h ALA 112 Cb 0.76 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2oty h ALA 112 CO 0.00 -0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.43 2oty n GLY 113 N -1.57 -1.20 1.42 0.00 0.00 -1.24 -3.84 105.19 98.77 2oty n GLY 113 Ca 0.04 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.05 2oty n GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2oty n PHE 114 N -1.49 1.36 -0.29 1.61 3.01 -0.24 -4.62 117.46 116.80 2oty n PHE 114 Ca 0.05 -0.51 0.09 0.00 1.01 0.00 0.00 57.45 58.09 2oty n PHE 114 Cb 0.24 -0.29 0.21 0.00 -0.01 0.00 0.00 39.48 39.62 2oty n PHE 114 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 2oty h THR 115 N 3.17 0.25 -0.36 4.37 2.02 -1.74 0.20 112.91 120.81 2oty h THR 115 Ca 0.00 -0.03 -0.10 0.00 0.77 0.00 0.00 66.41 67.05 2oty h THR 115 Cb 1.38 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 2oty h THR 115 CO 0.27 0.02 -0.17 0.78 0.37 0.00 0.00 175.52 176.78 2oty h ASN 116 N 0.10 0.67 -0.31 4.18 2.35 -1.94 -2.17 115.58 118.46 2oty h ASN 116 Ca 0.48 -0.21 -0.07 0.00 -0.55 0.00 0.00 56.30 55.95 2oty h ASN 116 Cb 0.90 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 2oty h ASN 116 CO -0.74 0.84 -0.08 0.28 -1.65 0.00 0.00 177.43 176.09 2oty h SER 117 N 0.60 0.60 -0.92 5.81 0.02 -1.38 -2.89 113.55 115.39 2oty h SER 117 Ca 0.10 -0.37 -0.00 0.00 -0.84 0.00 0.00 61.79 60.67 2oty h SER 117 Cb 0.63 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.96 2oty h SER 117 CO 0.04 0.83 0.57 -0.07 -1.14 0.00 0.00 176.83 177.06 2oty h LEU 118 N 0.36 1.10 -0.25 5.07 4.07 -1.00 -0.43 115.31 124.22 2oty h LEU 118 Ca 0.08 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.98 2oty h LEU 118 Cb 0.57 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 2oty h LEU 118 CO 0.03 0.84 0.17 -0.09 -1.08 0.00 0.00 178.44 178.30 2oty h ARG 119 N 1.27 0.33 -0.67 1.13 2.43 -1.38 0.05 114.38 117.54 2oty h ARG 119 Ca 0.33 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.46 2oty h ARG 119 Cb -0.07 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.37 2oty h ARG 119 CO -0.06 0.22 0.34 0.52 -1.51 0.00 0.00 179.97 179.48 2oty h MET 120 N 0.34 0.94 -0.38 0.20 2.86 -1.23 -0.86 114.93 116.79 2oty h MET 120 Ca 0.09 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 2oty h MET 120 Cb -0.04 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.42 2oty h MET 120 CO -0.02 0.71 0.15 -0.07 1.06 0.00 0.00 176.91 178.73 2oty h LEU 121 N 0.94 0.54 -1.37 1.22 3.38 -0.73 -1.37 115.31 117.91 2oty h LEU 121 Ca 0.24 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2oty h LEU 121 Cb 0.07 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2oty h LEU 121 CO -0.03 0.57 0.13 -0.61 0.09 0.00 0.00 178.44 178.59 2oty h GLN 122 N 0.47 0.56 0.00 1.13 4.15 -0.57 -1.20 115.11 119.65 2oty h GLN 122 Ca 0.13 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.47 2oty h GLN 122 Cb 0.20 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.79 2oty h GLN 122 CO -0.01 0.48 0.00 1.04 -1.93 0.00 0.00 178.83 178.41 2oty n GLN 123 N -4.36 0.02 -2.92 1.69 6.02 -0.36 -4.91 117.38 112.55 2oty n GLN 123 Ca 0.02 0.11 -0.22 0.00 -0.01 0.00 0.00 57.00 56.91 2oty n GLN 123 Cb 0.16 -1.50 0.02 0.00 1.02 0.00 0.00 30.24 29.94 2oty n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2oty n LYS 124 N -1.49 -3.99 -2.78 -1.09 5.02 -0.45 -4.92 118.16 108.47 2oty n LYS 124 Ca 0.06 0.86 -0.43 0.00 -2.02 0.00 0.00 58.31 56.77 2oty n LYS 124 Cb 0.26 -5.66 0.00 0.00 -0.02 0.00 0.00 35.03 29.61 2oty n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2oty n ARG 125 N -3.75 3.58 -0.19 1.97 1.74 -0.59 -4.89 116.66 114.54 2oty n ARG 125 Ca -0.13 -3.86 -0.08 0.00 -0.77 0.00 0.00 57.85 53.00 2oty n ARG 125 Cb 0.62 -2.90 0.01 0.00 -1.02 0.00 0.00 32.46 29.18 2oty n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 2oty h TRP 126 N 6.43 0.85 -0.29 -1.55 -0.00 -1.89 0.89 115.95 120.40 2oty h TRP 126 Ca 0.32 -0.09 -0.12 0.00 -0.00 0.00 0.00 58.89 59.01 2oty h TRP 126 Cb 0.76 -0.25 -0.00 0.00 -0.00 0.00 0.00 29.16 29.67 2oty h TRP 126 CO 1.11 0.73 -0.27 -0.44 -0.00 0.00 0.00 178.44 179.57 2oty h ASP 127 N 0.73 0.74 -0.25 -3.49 5.19 -1.90 -1.36 116.42 116.08 2oty h ASP 127 Ca 0.17 -0.47 -0.01 0.00 -0.62 0.00 0.00 57.03 56.11 2oty h ASP 127 Cb 0.28 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.57 2oty h ASP 127 CO -0.01 1.06 0.13 -0.33 -3.12 0.00 0.00 179.24 176.97 2oty h GLU 128 N 0.44 0.35 -0.51 3.56 5.08 -1.93 -1.80 114.58 119.78 2oty h GLU 128 Ca 0.05 -0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 2oty h GLU 128 Cb 0.84 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.94 2oty h GLU 128 CO 0.07 0.33 0.02 0.00 -1.00 0.00 0.00 179.01 178.43 2oty h ALA 129 N 1.00 0.50 -0.41 3.43 0.00 -0.78 -0.56 119.26 122.45 2oty h ALA 129 Ca 0.09 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.15 2oty h ALA 129 Cb 0.09 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2oty h ALA 129 CO -0.01 -0.37 0.26 0.00 0.00 0.00 0.00 179.25 179.12 2oty h ALA 130 N 1.44 0.51 -0.23 0.00 0.00 -1.02 0.11 119.26 120.08 2oty h ALA 130 Ca 0.26 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.16 2oty h ALA 130 Cb 0.38 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2oty h ALA 130 CO -0.41 -0.05 0.11 0.28 0.00 0.00 0.00 179.25 179.18 2oty h VAL 131 N 0.53 1.00 -0.79 0.00 2.07 -1.05 -2.91 116.25 115.08 2oty h VAL 131 Ca 0.15 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 2oty h VAL 131 Cb -0.04 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 2oty h VAL 131 CO -0.05 0.04 0.41 -1.13 0.02 0.00 0.00 177.57 176.87 2oty h ASN 132 N 0.24 1.01 -0.25 0.57 -0.73 -0.65 -2.84 115.58 112.92 2oty h ASN 132 Ca 0.09 -0.10 -0.01 0.00 1.87 0.00 0.00 56.30 58.15 2oty h ASN 132 Cb 0.02 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 38.34 2oty h ASN 132 CO -0.06 0.83 0.13 -0.07 -0.37 0.00 0.00 177.43 177.89 2oty h LEU 133 N 1.12 0.36 -0.03 0.34 3.38 -0.61 -2.50 115.31 117.36 2oty h LEU 133 Ca 0.28 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2oty h LEU 133 Cb 0.06 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2oty h LEU 133 CO -0.04 0.32 0.00 0.00 0.09 0.00 0.00 178.44 178.81 2oty n ALA 134 N -2.49 2.23 -2.09 1.53 0.00 -1.07 -4.12 120.51 114.50 2oty n ALA 134 Ca 0.01 -0.06 -0.41 0.00 0.00 0.00 0.00 53.44 52.98 2oty n ALA 134 Cb 0.12 -1.45 -0.00 0.00 0.00 0.00 0.00 19.45 18.12 2oty n ALA 134 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2oty n LYS 135 N -1.77 3.88 -3.64 0.00 5.02 -0.94 -4.70 118.16 116.00 2oty n LYS 135 Ca 0.06 -3.32 -0.15 0.00 -2.02 0.00 0.00 58.31 52.88 2oty n LYS 135 Cb 0.35 -2.85 -0.07 0.00 -0.02 0.00 0.00 35.03 32.44 2oty n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2oty s SER 136 N 0.99 -0.40 0.20 4.39 1.04 -1.26 -5.02 113.70 113.64 2oty s SER 136 Ca 0.47 0.31 -0.10 0.00 0.48 0.00 0.00 55.95 57.11 2oty s SER 136 Cb 0.14 0.43 0.26 0.00 0.10 0.00 0.00 66.02 66.94 2oty s SER 136 CO -0.04 -0.57 1.75 -0.09 0.98 0.00 0.00 173.24 175.27 2oty h ARG 137 N 3.31 0.40 -0.74 4.02 2.43 -1.93 -2.35 114.38 119.51 2oty h ARG 137 Ca -0.29 -0.02 0.11 0.00 -0.81 0.00 0.00 59.98 58.96 2oty h ARG 137 Cb 1.17 -0.09 -0.12 0.00 -0.42 0.00 0.00 29.97 30.51 2oty h ARG 137 CO 0.40 0.27 -0.43 2.35 -1.51 0.00 0.00 179.97 181.05 2oty h TRP 138 N 0.41 -1.26 -0.38 2.20 7.01 -1.95 -0.01 115.95 121.97 2oty h TRP 138 Ca 0.29 0.09 -0.01 0.00 2.11 0.00 0.00 58.89 61.38 2oty h TRP 138 Cb 0.34 0.66 -0.02 0.00 -2.10 0.00 0.00 29.16 28.04 2oty h TRP 138 CO -0.16 -0.41 0.21 -0.92 -2.79 0.00 0.00 178.44 174.37 2oty h TYR 139 N -0.13 0.52 -0.48 2.65 3.20 -1.76 -0.70 116.97 120.27 2oty h TYR 139 Ca 0.23 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.03 2oty h TYR 139 Cb 0.55 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 2oty h TYR 139 CO -0.78 0.40 0.07 -0.91 -1.64 0.00 0.00 178.16 175.29 2oty h ASN 140 N 0.49 0.70 0.54 -2.11 4.21 -0.83 -1.18 115.58 117.40 2oty h ASN 140 Ca 0.13 -0.14 -0.29 0.00 1.21 0.00 0.00 56.30 57.22 2oty h ASN 140 Cb 0.05 -0.18 -0.03 0.00 -1.12 0.00 0.00 38.32 37.04 2oty h ASN 140 CO -0.02 0.73 -1.52 1.56 -1.29 0.00 0.00 177.43 176.88 2oty h GLN 141 N 0.71 0.13 -2.09 0.81 1.08 -0.88 -3.39 115.11 111.48 2oty h GLN 141 Ca 0.15 -0.22 -0.58 0.00 -1.45 0.00 0.00 58.65 56.56 2oty h GLN 141 Cb 0.34 0.08 -0.40 0.00 -0.05 0.00 0.00 27.48 27.44 2oty h GLN 141 CO 0.01 0.91 -0.86 0.25 -0.95 0.00 0.00 178.83 178.19 2oty n THR 142 N -3.31 0.83 -0.20 -0.54 -2.24 -0.28 -4.99 114.28 103.55 2oty n THR 142 Ca -0.15 -4.62 -0.07 0.00 -2.27 0.00 0.00 64.05 56.93 2oty n THR 142 Cb 1.03 -1.98 0.07 0.00 -2.10 0.00 0.00 70.33 67.34 2oty n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2oty h PRO 143 N 4.04 1.03 -0.28 -0.78 0.13 -1.42 -0.51 132.00 134.22 2oty h PRO 143 Ca 0.13 -0.29 -0.04 0.00 -0.87 0.00 0.00 66.00 64.93 2oty h PRO 143 Cb 0.77 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 2oty h PRO 143 CO 0.65 0.98 0.03 -0.91 -0.23 0.00 0.00 178.00 178.51 2oty h ASN 144 N 0.96 0.45 -0.29 1.44 2.35 -1.94 0.11 115.58 118.66 2oty h ASN 144 Ca 0.18 -0.28 -0.02 0.00 -0.55 0.00 0.00 56.30 55.63 2oty h ASN 144 Cb 0.48 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 2oty h ASN 144 CO 0.02 0.62 0.10 -0.09 -1.65 0.00 0.00 177.43 176.43 2oty h ARG 145 N 0.27 0.44 -0.74 0.81 2.43 -1.96 -2.71 114.38 112.93 2oty h ARG 145 Ca 0.08 -0.09 0.06 0.00 -0.81 0.00 0.00 59.98 59.22 2oty h ARG 145 Cb 0.37 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.80 2oty h ARG 145 CO 0.01 0.48 0.43 0.00 -1.51 0.00 0.00 179.97 179.38 2oty h ALA 146 N 0.94 1.00 -0.97 2.80 0.00 -0.87 -1.26 119.26 120.90 2oty h ALA 146 Ca 0.09 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.05 2oty h ALA 146 Cb 0.21 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 2oty h ALA 146 CO -0.01 0.14 0.63 0.87 0.00 0.00 0.00 179.25 180.88 2oty h LYS 147 N 0.80 1.16 -0.23 0.00 1.57 -0.70 0.21 116.57 119.38 2oty h LYS 147 Ca 0.32 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 59.02 2oty h LYS 147 Cb 0.17 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 2oty h LYS 147 CO -0.17 0.77 0.07 0.00 -0.57 0.00 0.00 179.45 179.54 2oty h ARG 148 N 1.20 0.36 -0.37 3.15 3.08 -1.01 -0.86 114.38 119.93 2oty h ARG 148 Ca 0.39 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 60.31 2oty h ARG 148 Cb 0.04 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 2oty h ARG 148 CO -0.14 0.45 0.02 0.28 -1.07 0.00 0.00 179.97 179.52 2oty h VAL 149 N 0.20 1.25 -0.48 2.04 2.07 -0.92 -2.19 116.25 118.23 2oty h VAL 149 Ca 0.07 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 2oty h VAL 149 Cb 0.24 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2oty h VAL 149 CO -0.00 0.31 0.24 0.40 0.02 0.00 0.00 177.57 178.55 2oty h ILE 150 N 0.46 1.18 -0.95 4.57 2.04 -0.57 -1.67 117.51 122.57 2oty h ILE 150 Ca 0.11 -0.48 0.07 0.00 1.00 0.00 0.00 64.86 65.55 2oty h ILE 150 Cb 0.43 0.63 -0.06 0.00 -0.74 0.00 0.00 36.82 37.07 2oty h ILE 150 CO 0.01 0.19 0.62 0.74 0.00 0.00 0.00 178.15 179.72 2oty h THR 151 N 0.63 1.07 -0.34 -0.27 2.02 -1.05 0.25 112.91 115.22 2oty h THR 151 Ca 0.17 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 2oty h THR 151 Cb 0.09 -0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.37 2oty h THR 151 CO -0.02 0.20 0.14 0.74 0.37 0.00 0.00 175.52 176.95 2oty h THR 152 N 1.09 1.18 -0.83 3.16 2.02 -0.94 -1.07 112.91 117.53 2oty h THR 152 Ca 0.41 -0.55 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 2oty h THR 152 Cb 0.19 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 2oty h THR 152 CO -0.16 0.19 0.40 -0.26 0.37 0.00 0.00 175.52 176.06 2oty h PHE 153 N 0.41 1.19 -0.45 3.16 0.04 -0.70 0.04 116.94 120.62 2oty h PHE 153 Ca 0.11 -0.06 -0.11 0.00 2.80 0.00 0.00 57.97 60.72 2oty h PHE 153 Cb 0.17 -0.37 -0.01 0.00 2.20 0.00 0.00 35.95 37.94 2oty h PHE 153 CO -0.01 0.86 -0.14 -0.09 -0.60 0.00 0.00 178.31 178.33 2oty h ARG 154 N 1.18 0.89 0.00 1.51 2.43 -0.20 -3.37 114.38 116.81 2oty h ARG 154 Ca 0.28 -0.36 -0.15 0.00 -0.81 0.00 0.00 59.98 58.95 2oty h ARG 154 Cb 0.12 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 2oty h ARG 154 CO -0.04 1.01 -1.90 0.25 -1.51 0.00 0.00 179.97 177.78 2oty n THR 155 N -4.23 0.55 -1.74 0.20 -2.24 -0.43 -4.74 114.28 101.65 2oty n THR 155 Ca -0.00 -0.52 -0.13 0.00 -2.27 0.00 0.00 64.05 61.13 2oty n THR 155 Cb 0.40 -0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.35 2oty n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2oty n GLY 156 N 1.83 0.71 3.51 3.38 0.00 -0.00 -5.02 105.19 109.61 2oty n GLY 156 Ca -0.14 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.23 2oty n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2oty s THR 157 N -2.54 1.86 -0.41 2.61 -4.23 -1.26 -4.82 115.64 106.85 2oty s THR 157 Ca 0.00 -2.11 0.11 0.00 -1.18 0.00 0.00 61.69 58.51 2oty s THR 157 Cb 0.00 -2.67 0.64 0.00 1.34 0.00 0.00 72.50 71.80 2oty s THR 157 CO 0.00 -0.17 1.48 0.79 -0.54 0.00 0.00 174.62 176.19 2oty n TRP 158 N -0.75 1.66 -0.33 3.99 7.02 -1.26 -4.47 117.44 123.30 2oty n TRP 158 Ca -0.05 -0.60 0.11 0.00 -1.02 0.00 0.00 57.50 55.95 2oty n TRP 158 Cb 0.65 -0.44 0.29 0.00 -2.42 0.00 0.00 31.31 29.39 2oty n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 2oty h ASP 159 N 3.04 0.68 0.62 -0.99 3.32 -1.95 -1.39 116.42 119.73 2oty h ASP 159 Ca 0.02 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2oty h ASP 159 Cb 1.69 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 41.22 2oty h ASP 159 CO 0.40 0.24 0.00 0.00 -1.72 0.00 0.00 179.24 178.16 2oty n ALA 160 N -2.37 1.65 0.03 3.45 0.00 -1.26 -2.73 120.51 119.28 2oty n ALA 160 Ca 0.21 0.03 0.04 0.00 0.00 0.00 0.00 53.44 53.72 2oty n ALA 160 Cb 0.54 -1.32 0.08 0.00 0.00 0.00 0.00 19.45 18.75 2oty n ALA 160 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2oty n TYR 161 N -1.92 0.21 -0.59 0.00 4.02 -0.54 -4.94 117.16 113.39 2oty n TYR 161 Ca 0.03 -0.33 0.00 0.00 -0.01 0.00 0.00 57.90 57.59 2oty n TYR 161 Cb 0.20 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.50 2oty n TYR 161 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48