#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x2a n VAL 2 N 0.00 1.91 -1.89 1.12 0.31 -1.26 -4.96 118.33 113.56 2x2a n VAL 2 Ca 0.00 -0.48 -0.34 0.00 -0.01 0.00 0.00 64.34 63.51 2x2a n VAL 2 Cb 0.00 -0.59 0.04 0.00 -0.91 0.00 0.00 33.84 32.38 2x2a n VAL 2 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2x2a s ASN 3 N -0.69 5.15 0.74 4.52 0.01 -1.26 -5.00 114.94 118.40 2x2a s ASN 3 Ca 0.62 2.18 -0.12 0.00 -0.71 0.00 0.00 52.86 54.83 2x2a s ASN 3 Cb -0.81 -2.57 0.04 0.00 0.41 0.00 0.00 41.25 38.32 2x2a s ASN 3 CO 0.58 -1.61 1.10 -2.16 -1.51 0.00 0.00 177.10 173.50 2x2a s PRO 4 N -3.69 2.41 0.00 -0.60 0.04 -1.26 -4.82 135.00 127.08 2x2a s PRO 4 Ca 0.72 1.25 0.04 0.00 0.04 0.00 0.00 61.00 63.05 2x2a s PRO 4 Cb -0.25 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 2x2a s PRO 4 CO 0.36 -1.54 -0.12 0.95 0.04 0.00 0.00 177.00 176.69 2x2a s THR 5 N -2.70 0.98 0.19 1.26 -4.23 -1.26 -1.20 115.64 108.67 2x2a s THR 5 Ca 0.63 -0.63 0.08 0.00 -1.18 0.00 0.00 61.69 60.58 2x2a s THR 5 Cb -0.18 -0.84 -0.05 0.00 1.34 0.00 0.00 72.50 72.77 2x2a s THR 5 CO 0.51 0.20 -0.15 0.68 -0.54 0.00 0.00 174.62 175.32 2x2a s VAL 6 N -0.43 1.69 0.08 2.29 -7.23 -0.47 -1.11 120.40 115.23 2x2a s VAL 6 Ca 0.04 -2.12 0.07 0.00 -1.81 0.00 0.00 61.98 58.15 2x2a s VAL 6 Cb -0.05 -1.96 -0.03 0.00 0.56 0.00 0.00 36.38 34.89 2x2a s VAL 6 CO -0.00 -0.55 -0.17 0.72 -0.31 0.00 0.00 175.10 174.79 2x2a s PHE 7 N -2.79 1.49 -0.10 2.82 -0.12 0.09 -0.67 117.98 118.70 2x2a s PHE 7 Ca 0.20 -0.44 0.04 0.00 -0.05 0.00 0.00 56.93 56.68 2x2a s PHE 7 Cb -0.02 -0.83 -0.01 0.00 -0.63 0.00 0.00 43.02 41.54 2x2a s PHE 7 CO 0.06 0.12 -0.22 -0.06 -0.05 0.00 0.00 175.22 175.08 2x2a s PHE 8 N -1.20 2.59 -0.36 3.49 0.08 0.15 -1.96 117.98 120.78 2x2a s PHE 8 Ca 0.02 -0.88 -0.15 0.00 0.12 0.00 0.00 56.93 56.04 2x2a s PHE 8 Cb -0.10 -1.71 -0.01 0.00 -0.57 0.00 0.00 43.02 40.63 2x2a s PHE 8 CO 0.03 -0.32 0.36 -0.51 -0.10 0.00 0.00 175.22 174.68 2x2a s ASP 9 N 0.21 6.17 -0.06 1.36 1.01 0.33 -1.00 116.67 124.68 2x2a s ASP 9 Ca -0.13 -0.34 -0.13 0.00 0.71 0.00 0.00 52.55 52.66 2x2a s ASP 9 Cb -0.17 -2.19 -0.05 0.00 1.01 0.00 0.00 42.92 41.52 2x2a s ASP 9 CO 0.07 -0.37 0.34 -0.63 0.21 0.00 0.00 175.17 174.79 2x2a s ILE 10 N 1.99 5.19 0.11 0.77 -1.09 0.05 -0.30 121.20 127.93 2x2a s ILE 10 Ca 0.11 0.67 0.08 0.00 -2.23 0.00 0.00 60.65 59.28 2x2a s ILE 10 Cb -0.17 -3.64 -0.04 0.00 -1.58 0.00 0.00 42.46 37.03 2x2a s ILE 10 CO 0.12 0.53 -0.19 0.00 -1.23 0.00 0.00 174.94 174.17 2x2a s ALA 11 N -0.63 1.74 -0.24 9.38 0.00 -0.25 -0.29 121.76 131.48 2x2a s ALA 11 Ca 0.21 -1.28 0.01 0.00 0.00 0.00 0.00 51.96 50.90 2x2a s ALA 11 Cb -0.15 -0.20 0.04 0.00 0.00 0.00 0.00 23.12 22.81 2x2a s ALA 11 CO 0.09 0.28 -0.12 0.08 0.00 0.00 0.00 175.76 176.10 2x2a s VAL 12 N -1.47 2.33 -1.78 0.00 1.01 0.13 -1.11 120.40 119.50 2x2a s VAL 12 Ca 0.08 -1.30 -0.21 0.00 0.00 0.00 0.00 61.98 60.55 2x2a s VAL 12 Cb -0.09 -2.22 0.19 0.00 0.00 0.00 0.00 36.38 34.27 2x2a s VAL 12 CO 0.04 0.17 0.71 0.47 0.00 0.00 0.00 175.10 176.50 2x2a n ASP 13 N 4.54 -2.72 0.00 3.32 8.00 -0.09 -0.96 116.55 128.65 2x2a n ASP 13 Ca -0.16 -1.11 0.00 0.00 0.71 0.00 0.00 54.79 54.23 2x2a n ASP 13 Cb 0.45 -2.27 0.00 0.00 -0.02 0.00 0.00 41.12 39.29 2x2a n ASP 13 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2x2a n GLY 14 N -1.24 2.10 3.70 0.44 0.00 -1.26 -5.02 105.19 103.91 2x2a n GLY 14 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 2x2a n GLY 14 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2x2a s GLU 15 N -0.44 4.36 0.26 1.61 2.56 -0.13 -4.96 118.70 121.96 2x2a s GLU 15 Ca 0.00 0.83 -0.31 0.00 0.00 0.00 0.00 54.97 55.49 2x2a s GLU 15 Cb 0.00 -3.50 -0.12 0.00 2.00 0.00 0.00 34.13 32.51 2x2a s GLU 15 CO 0.00 -0.07 1.63 -2.30 -0.56 0.00 0.00 175.26 173.96 2x2a n PRO 16 N 4.31 2.67 -0.10 4.30 -0.02 -1.26 -0.70 135.00 144.20 2x2a n PRO 16 Ca -0.00 0.95 -0.18 0.00 -2.02 0.00 0.00 63.50 62.25 2x2a n PRO 16 Cb 0.51 -2.75 -0.06 0.00 -0.02 0.00 0.00 33.50 31.17 2x2a n PRO 16 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2x2a n LEU 17 N 2.78 1.71 0.00 2.45 7.94 0.60 -4.86 117.00 127.63 2x2a n LEU 17 Ca 0.11 0.29 0.00 0.00 -1.11 0.00 0.00 56.01 55.30 2x2a n LEU 17 Cb 0.35 -0.68 0.00 0.00 0.53 0.00 0.00 43.42 43.62 2x2a n LEU 17 CO 0.64 0.15 0.00 0.61 -1.11 0.00 0.00 177.39 177.68 2x2a n GLY 18 N 1.64 -1.24 3.45 -3.96 0.00 -1.16 -5.03 105.19 98.90 2x2a n GLY 18 Ca -0.32 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 44.38 2x2a n GLY 18 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2x2a s ARG 19 N -1.02 2.33 -0.13 1.61 3.52 -1.26 -0.77 118.95 123.24 2x2a s ARG 19 Ca 0.00 -0.81 0.02 0.00 -0.13 0.00 0.00 55.73 54.81 2x2a s ARG 19 Cb 0.00 -2.28 -0.00 0.00 -1.56 0.00 0.00 34.95 31.11 2x2a s ARG 19 CO 0.00 0.59 -0.19 0.08 -0.81 0.00 0.00 175.30 174.97 2x2a s VAL 20 N -0.78 2.46 0.18 7.11 1.01 -0.17 -4.28 120.40 125.92 2x2a s VAL 20 Ca 0.12 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.32 2x2a s VAL 20 Cb -0.10 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 2x2a s VAL 20 CO 0.02 0.54 -0.06 -0.94 0.00 0.00 0.00 175.10 174.66 2x2a s SER 21 N 0.53 4.44 -0.01 3.32 1.04 -0.30 -0.67 113.70 122.05 2x2a s SER 21 Ca -0.12 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 55.81 2x2a s SER 21 Cb -0.16 -0.83 0.01 0.00 0.10 0.00 0.00 66.02 65.13 2x2a s SER 21 CO 0.04 0.10 -0.00 -0.36 0.98 0.00 0.00 173.24 174.00 2x2a s PHE 22 N -1.70 0.10 0.01 5.02 0.08 0.15 -0.20 117.98 121.44 2x2a s PHE 22 Ca 0.26 0.00 -0.23 0.00 0.12 0.00 0.00 56.93 57.08 2x2a s PHE 22 Cb -0.09 -0.11 -0.05 0.00 -0.57 0.00 0.00 43.02 42.20 2x2a s PHE 22 CO 0.16 -0.02 0.71 -2.00 -0.10 0.00 0.00 175.22 173.96 2x2a s GLU 23 N 0.22 4.43 -0.18 0.44 2.12 0.10 -1.37 118.70 124.46 2x2a s GLU 23 Ca -0.02 0.94 -0.05 0.00 0.36 0.00 0.00 54.97 56.20 2x2a s GLU 23 Cb -0.03 -3.38 -0.03 0.00 0.26 0.00 0.00 34.13 30.95 2x2a s GLU 23 CO -0.01 0.26 0.00 -0.51 -0.54 0.00 0.00 175.26 174.47 2x2a s LEU 24 N 0.09 3.42 -1.39 2.70 1.43 -0.34 -1.13 118.68 123.46 2x2a s LEU 24 Ca 0.36 -0.09 -0.10 0.00 -1.03 0.00 0.00 54.13 53.28 2x2a s LEU 24 Cb -0.19 -1.85 0.09 0.00 0.03 0.00 0.00 46.19 44.26 2x2a s LEU 24 CO 0.20 0.14 2.23 0.49 0.23 0.00 0.00 176.35 179.64 2x2a n PHE 25 N 3.74 2.96 0.28 0.29 3.72 0.53 -4.03 117.46 124.95 2x2a n PHE 25 Ca -0.17 -2.89 0.16 0.00 -0.05 0.00 0.00 57.45 54.50 2x2a n PHE 25 Cb 0.52 -2.18 0.77 0.00 -0.94 0.00 0.00 39.48 37.66 2x2a n PHE 25 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2x2a h ALA 26 N 5.50 1.09 0.00 4.37 0.00 -1.83 -0.21 119.26 128.18 2x2a h ALA 26 Ca 0.57 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.42 2x2a h ALA 26 Cb 0.52 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2x2a h ALA 26 CO 1.70 0.09 0.00 0.38 0.00 0.00 0.00 179.25 181.42 2x2a h ASP 27 N 0.00 0.00 0.00 0.00 2.03 -1.93 -3.18 116.42 113.34 2x2a h ASP 27 Ca -0.00 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.21 2x2a h ASP 27 Cb 0.39 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.87 2x2a h ASP 27 CO 0.01 0.00 -1.36 0.29 -1.03 0.00 0.00 179.24 177.15 2x2a n LYS 28 N -2.95 1.38 -3.21 4.15 4.76 -0.60 -4.87 118.16 116.82 2x2a n LYS 28 Ca 0.00 0.02 -0.23 0.00 -2.87 0.00 0.00 58.31 55.23 2x2a n LYS 28 Cb 0.27 -1.13 -0.06 0.00 -1.84 0.00 0.00 35.03 32.27 2x2a n LYS 28 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 2x2a n VAL 29 N -2.48 0.03 -0.31 -0.18 0.24 -0.19 -4.95 118.33 110.48 2x2a n VAL 29 Ca -0.10 -4.38 -0.04 0.00 -2.04 0.00 0.00 64.34 57.78 2x2a n VAL 29 Cb 0.64 -1.60 0.10 0.00 -1.47 0.00 0.00 33.84 31.51 2x2a n VAL 29 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2x2a h PRO 30 N 3.76 1.22 -0.39 7.34 0.13 -1.74 -0.11 132.00 142.21 2x2a h PRO 30 Ca 0.10 -0.16 -0.09 0.00 -0.87 0.00 0.00 66.00 64.98 2x2a h PRO 30 Cb 0.85 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.74 2x2a h PRO 30 CO 0.54 0.91 -0.11 -0.22 -0.23 0.00 0.00 178.00 178.89 2x2a h LYS 31 N 1.22 0.77 -0.23 0.86 3.64 -1.94 -0.52 116.57 120.37 2x2a h LYS 31 Ca 0.30 -0.31 -0.20 0.00 -1.27 0.00 0.00 60.65 59.18 2x2a h LYS 31 Cb 0.06 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2x2a h LYS 31 CO -0.04 0.92 -0.62 1.15 -2.27 0.00 0.00 179.45 178.58 2x2a h THR 32 N 0.58 1.28 -0.40 1.00 2.02 -1.91 -2.29 112.91 113.20 2x2a h THR 32 Ca 0.10 -1.82 0.03 0.00 0.77 0.00 0.00 66.41 65.49 2x2a h THR 32 Cb 0.64 1.76 -0.04 0.00 -1.74 0.00 0.00 68.15 68.78 2x2a h THR 32 CO 0.04 0.59 0.19 0.00 0.37 0.00 0.00 175.52 176.71 2x2a h ALA 33 N 0.69 0.49 -0.94 6.16 0.00 -0.98 -2.82 119.26 121.85 2x2a h ALA 33 Ca -0.01 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2x2a h ALA 33 Cb 1.23 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 2x2a h ALA 33 CO 0.13 -0.18 0.58 1.49 0.00 0.00 0.00 179.25 181.28 2x2a h GLU 34 N 0.38 1.26 0.12 0.00 4.57 -0.94 -0.65 114.58 119.33 2x2a h GLU 34 Ca 0.17 -0.10 0.02 0.00 -1.18 0.00 0.00 59.36 58.27 2x2a h GLU 34 Cb 0.10 -0.27 -0.03 0.00 -0.16 0.00 0.00 28.75 28.38 2x2a h GLU 34 CO -0.13 0.86 -0.27 -0.97 -1.18 0.00 0.00 179.01 177.32 2x2a h ASN 35 N 1.28 -0.76 -0.79 1.04 -1.24 -1.28 -0.40 115.58 113.42 2x2a h ASN 35 Ca 0.34 0.09 -0.02 0.00 0.71 0.00 0.00 56.30 57.41 2x2a h ASN 35 Cb -0.09 0.29 -0.04 0.00 0.73 0.00 0.00 38.32 39.21 2x2a h ASN 35 CO -0.07 -0.36 0.41 0.15 -1.29 0.00 0.00 177.43 176.27 2x2a h PHE 36 N -0.48 1.12 0.22 0.67 3.57 -1.26 -0.49 116.94 120.28 2x2a h PHE 36 Ca 0.03 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2x2a h PHE 36 Cb 0.51 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.90 2x2a h PHE 36 CO -0.24 0.80 -0.11 -0.09 -2.23 0.00 0.00 178.31 176.44 2x2a h ARG 37 N 1.13 -0.28 -0.67 1.11 2.43 -0.89 -1.03 114.38 116.18 2x2a h ARG 37 Ca 0.28 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.44 2x2a h ARG 37 Cb 0.07 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 2x2a h ARG 37 CO -0.04 -0.06 0.31 0.00 -1.51 0.00 0.00 179.97 178.67 2x2a h ALA 38 N 0.27 1.28 0.00 2.80 0.00 -0.92 -1.21 119.26 121.48 2x2a h ALA 38 Ca -0.03 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 2x2a h ALA 38 Cb 0.36 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2x2a h ALA 38 CO 0.05 0.55 -0.38 -0.07 0.00 0.00 0.00 179.25 179.40 2x2a h LEU 39 N 0.95 0.00 -0.29 0.00 3.38 -0.92 -1.72 115.31 116.72 2x2a h LEU 39 Ca 0.23 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.01 2x2a h LEU 39 Cb 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2x2a h LEU 39 CO -0.03 0.38 -0.87 0.28 0.09 0.00 0.00 178.44 178.29 2x2a h SER 40 N 0.00 0.18 1.51 -0.43 0.02 -0.53 -1.08 113.55 113.22 2x2a h SER 40 Ca -0.00 -0.15 -0.08 0.00 -0.84 0.00 0.00 61.79 60.73 2x2a h SER 40 Cb 0.69 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 2x2a h SER 40 CO 0.05 0.96 -0.50 0.71 -1.14 0.00 0.00 176.83 176.91 2x2a h THR 41 N 0.07 0.52 0.00 -2.27 1.35 -0.94 -2.75 112.91 108.90 2x2a h THR 41 Ca -0.03 -1.77 0.00 0.00 -0.55 0.00 0.00 66.41 64.05 2x2a h THR 41 Cb 1.51 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 70.12 2x2a h THR 41 CO 0.13 0.30 0.00 0.61 -0.25 0.00 0.00 175.52 176.31 2x2a n GLY 42 N 1.21 0.48 0.29 5.82 0.00 -0.67 -4.93 105.19 107.39 2x2a n GLY 42 Ca 0.01 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.19 2x2a n GLY 42 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2x2a h GLU 43 N 1.00 0.00 -0.00 1.61 4.11 -1.81 -0.59 114.58 118.90 2x2a h GLU 43 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2x2a h GLU 43 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2x2a h GLU 43 CO 0.00 0.04 -0.08 1.63 0.07 0.00 0.00 179.01 180.68 2x2a n LYS 44 N -3.56 0.61 -0.29 1.06 4.76 -1.26 -4.92 118.16 114.56 2x2a n LYS 44 Ca -0.02 -0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.26 2x2a n LYS 44 Cb 0.15 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 2x2a n LYS 44 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2x2a n GLY 45 N 1.28 0.71 3.46 0.72 0.00 -0.23 -5.04 105.19 106.08 2x2a n GLY 45 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 2x2a n GLY 45 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2x2a s PHE 46 N -2.40 0.07 -5.00 1.61 -0.12 -1.25 -5.12 117.98 105.76 2x2a s PHE 46 Ca 0.00 -0.42 0.00 0.00 -0.05 0.00 0.00 56.93 56.46 2x2a s PHE 46 Cb 0.00 0.23 0.00 0.00 -0.63 0.00 0.00 43.02 42.62 2x2a s PHE 46 CO 0.00 -0.85 0.00 0.41 -0.05 0.00 0.00 175.22 174.73 2x2a n GLY 47 N -0.29 -0.15 0.24 1.99 0.00 -1.26 -4.44 105.19 101.28 2x2a n GLY 47 Ca -0.09 -1.38 0.13 0.00 0.00 0.00 0.00 46.02 44.69 2x2a n GLY 47 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2x2a h TYR 48 N 0.00 0.00 -2.44 1.61 0.05 -1.52 -3.45 116.97 111.22 2x2a h TYR 48 Ca 0.00 0.00 -0.56 0.00 0.05 0.00 0.00 58.73 58.22 2x2a h TYR 48 Cb 0.00 0.00 0.06 0.00 1.01 0.00 0.00 36.73 37.80 2x2a h TYR 48 CO 0.00 0.09 0.88 1.17 -1.05 0.00 0.00 178.16 179.24 2x2a n LYS 49 N -3.18 2.40 -0.16 4.88 4.81 -1.26 -1.21 118.16 124.44 2x2a n LYS 49 Ca 0.01 0.86 0.00 0.00 -0.87 0.00 0.00 58.31 58.32 2x2a n LYS 49 Cb 0.42 -2.66 0.00 0.00 0.02 0.00 0.00 35.03 32.81 2x2a n LYS 49 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2x2a n GLY 50 N 3.57 1.70 3.92 3.14 0.00 0.94 -5.04 105.19 113.42 2x2a n GLY 50 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 2x2a n GLY 50 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2x2a s SER 51 N -3.24 3.67 0.23 1.61 1.04 -0.35 -4.76 113.70 111.90 2x2a s SER 51 Ca 0.00 0.42 0.08 0.00 0.48 0.00 0.00 55.95 56.93 2x2a s SER 51 Cb 0.00 -0.64 -0.05 0.00 0.10 0.00 0.00 66.02 65.43 2x2a s SER 51 CO 0.00 -2.39 -0.13 0.00 0.98 0.00 0.00 173.24 171.69 2x2a s PHE 53 N -2.92 2.84 -1.02 0.00 0.40 -0.09 -3.93 117.98 113.26 2x2a s PHE 53 Ca 0.25 -0.28 0.24 0.00 -0.60 0.00 0.00 56.93 56.54 2x2a s PHE 53 Cb -0.00 -3.98 0.39 0.00 0.51 0.00 0.00 43.02 39.94 2x2a s PHE 53 CO 0.09 -1.33 1.34 -2.39 0.70 0.00 0.00 175.22 173.63 2x2a n HIS 54 N 7.14 0.00 -3.49 0.36 1.44 -0.92 -4.65 115.22 115.10 2x2a n HIS 54 Ca -0.02 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.45 2x2a n HIS 54 Cb 0.46 -0.21 -0.13 0.00 0.12 0.00 0.00 29.99 30.24 2x2a n HIS 54 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 2x2a s ARG 55 N -2.99 0.24 -0.27 -1.40 3.52 -1.10 -4.53 118.95 112.42 2x2a s ARG 55 Ca 0.11 -0.35 -0.03 0.00 -0.13 0.00 0.00 55.73 55.33 2x2a s ARG 55 Cb 0.17 -0.98 0.03 0.00 -1.56 0.00 0.00 34.95 32.60 2x2a s ARG 55 CO 0.72 -1.01 -0.02 0.42 -0.81 0.00 0.00 175.30 174.61 2x2a s ILE 56 N 2.21 3.14 -0.40 4.11 1.01 -0.45 -0.51 121.20 130.31 2x2a s ILE 56 Ca 0.09 -1.00 -0.01 0.00 0.00 0.00 0.00 60.65 59.73 2x2a s ILE 56 Cb -0.15 -2.63 0.11 0.00 0.01 0.00 0.00 42.46 39.80 2x2a s ILE 56 CO -0.34 0.13 0.17 -0.63 0.00 0.00 0.00 174.94 174.27 2x2a s ILE 57 N 1.35 3.01 0.27 2.92 -1.09 0.05 -1.91 121.20 125.80 2x2a s ILE 57 Ca -0.00 -2.21 -0.30 0.00 -2.23 0.00 0.00 60.65 55.91 2x2a s ILE 57 Cb -0.17 -3.10 -0.10 0.00 -1.58 0.00 0.00 42.46 37.51 2x2a s ILE 57 CO -0.02 -0.68 1.46 -2.84 -1.23 0.00 0.00 174.94 171.63 2x2a s PRO 58 N 0.99 4.24 0.00 2.79 0.02 -1.26 -0.95 135.00 140.82 2x2a s PRO 58 Ca 0.10 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.48 2x2a s PRO 58 Cb -0.22 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.22 2x2a s PRO 58 CO -0.05 -0.44 0.00 0.41 -0.33 0.00 0.00 177.00 176.59 2x2a n GLY 59 N 1.94 1.18 1.25 0.52 0.00 -1.26 -4.84 105.19 103.98 2x2a n GLY 59 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2x2a n GLY 59 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2x2a n PHE 60 N -2.00 -0.09 -3.59 1.61 3.72 -0.13 -4.53 117.46 112.45 2x2a n PHE 60 Ca 0.00 0.02 -0.07 0.00 -0.05 0.00 0.00 57.45 57.35 2x2a n PHE 60 Cb 0.00 0.13 -0.02 0.00 -0.94 0.00 0.00 39.48 38.65 2x2a n PHE 60 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2x2a s MET 61 N -1.14 0.98 -0.26 -1.08 0.23 -0.67 -1.18 119.30 116.19 2x2a s MET 61 Ca 0.00 -0.44 -0.02 0.00 -1.03 0.00 0.00 55.69 54.20 2x2a s MET 61 Cb 0.00 0.40 0.03 0.00 -1.53 0.00 0.00 34.83 33.73 2x2a s MET 61 CO 0.00 -0.44 -0.05 0.00 -2.03 0.00 0.00 175.02 172.50 2x2a s GLN 63 N 1.32 3.48 0.00 0.00 0.74 0.34 -0.82 119.66 124.72 2x2a s GLN 63 Ca -0.00 -0.40 0.00 0.00 0.05 0.00 0.00 55.36 55.00 2x2a s GLN 63 Cb -0.17 -2.97 0.00 0.00 1.10 0.00 0.00 33.01 30.97 2x2a s GLN 63 CO -0.04 0.46 0.00 0.41 -0.55 0.00 0.00 175.29 175.57 2x2a n GLY 64 N 2.91 4.06 1.11 2.59 0.00 -0.48 -2.17 105.19 113.21 2x2a n GLY 64 Ca -0.18 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.86 2x2a n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x2a n GLY 65 N 0.00 0.70 3.48 -0.02 0.00 -1.25 -1.61 105.19 106.48 2x2a n GLY 65 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2x2a n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2x2a s ASP 66 N -2.94 6.72 0.00 1.61 -1.08 -1.26 -3.86 116.67 115.86 2x2a s ASP 66 Ca 0.00 -2.19 0.23 0.00 -0.52 0.00 0.00 52.55 50.07 2x2a s ASP 66 Cb 0.00 -2.44 0.65 0.00 -1.46 0.00 0.00 42.92 39.66 2x2a s ASP 66 CO 0.00 -1.08 1.51 2.22 0.52 0.00 0.00 175.17 178.34 2x2a n PHE 67 N 6.89 0.23 -0.10 -5.34 1.16 -1.26 -1.28 117.46 117.76 2x2a n PHE 67 Ca 0.30 -0.12 -0.13 0.00 -1.87 0.00 0.00 57.45 55.64 2x2a n PHE 67 Cb 0.48 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.22 2x2a n PHE 67 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 2x2a n THR 68 N 0.71 1.28 0.00 1.97 -2.24 -1.26 -4.76 114.28 109.98 2x2a n THR 68 Ca 0.17 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 2x2a n THR 68 Cb 0.43 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 2x2a n THR 68 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2x2a n ARG 69 N -2.93 4.83 -1.79 -0.78 5.12 -1.25 -4.94 116.66 114.92 2x2a n ARG 69 Ca -0.35 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 55.41 2x2a n ARG 69 Cb 1.01 -0.57 -0.05 0.00 -1.16 0.00 0.00 32.46 31.69 2x2a n ARG 69 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 2x2a n HIS 70 N -1.01 -0.29 -1.45 -1.55 8.25 -0.41 -4.77 115.22 114.00 2x2a n HIS 70 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2x2a n HIS 70 Cb 0.00 -3.00 0.00 0.00 1.12 0.00 0.00 29.99 28.11 2x2a n HIS 70 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2x2a n ASN 71 N -0.79 0.00 0.00 0.41 0.23 -1.26 -4.83 115.26 109.02 2x2a n ASN 71 Ca -0.17 -1.00 0.00 0.00 -0.53 0.00 0.00 54.58 52.88 2x2a n ASN 71 Cb 0.57 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.27 2x2a n ASN 71 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2x2a n GLY 72 N 0.00 1.35 0.07 4.83 0.00 -1.26 -4.93 105.19 105.25 2x2a n GLY 72 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2x2a n GLY 72 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2x2a n THR 73 N -1.66 0.00 -2.04 2.61 -2.24 -1.26 -4.95 114.28 104.74 2x2a n THR 73 Ca 0.00 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2x2a n THR 73 Cb 0.00 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 2x2a n THR 73 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x2a n GLY 74 N 1.45 5.20 0.00 3.38 0.00 -1.26 -4.97 105.19 108.99 2x2a n GLY 74 Ca 0.08 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.37 2x2a n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x2a n GLY 75 N 4.31 2.18 3.46 -0.02 0.00 -1.26 -4.79 105.19 109.08 2x2a n GLY 75 Ca 0.00 -1.89 -0.16 0.00 0.00 0.00 0.00 46.02 43.97 2x2a n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x2a s LYS 76 N -3.04 0.89 0.84 1.61 -2.85 -1.26 -4.73 119.74 111.21 2x2a s LYS 76 Ca 0.00 0.29 -0.10 0.00 -1.00 0.00 0.00 55.97 55.16 2x2a s LYS 76 Cb 0.00 0.42 0.15 0.00 -2.06 0.00 0.00 37.83 36.34 2x2a s LYS 76 CO 0.00 -0.24 1.17 -1.54 0.10 0.00 0.00 175.35 174.84 2x2a s SER 77 N -0.88 3.81 0.00 0.03 1.04 -0.43 -3.82 113.70 113.45 2x2a s SER 77 Ca -0.09 0.13 0.25 0.00 0.48 0.00 0.00 55.95 56.73 2x2a s SER 77 Cb -0.02 -0.39 1.30 0.00 0.10 0.00 0.00 66.02 67.01 2x2a s SER 77 CO 0.07 -2.26 1.85 2.30 0.98 0.00 0.00 173.24 176.17 2x2a n ILE 78 N -3.34 0.17 0.01 -1.02 -5.35 -1.26 -3.34 119.36 105.23 2x2a n ILE 78 Ca 0.14 0.04 0.09 0.00 -0.27 0.00 0.00 62.75 62.75 2x2a n ILE 78 Cb 0.60 -0.63 0.19 0.00 -1.74 0.00 0.00 39.64 38.06 2x2a n ILE 78 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 2x2a n TYR 79 N -1.26 0.52 0.00 4.28 4.01 -1.26 -5.08 117.16 118.37 2x2a n TYR 79 Ca 0.13 -0.36 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 2x2a n TYR 79 Cb 0.19 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 2x2a n TYR 79 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2x2a n GLY 80 N 1.06 -0.23 0.29 2.72 0.00 -1.21 -4.78 105.19 103.02 2x2a n GLY 80 Ca 0.16 -2.24 -0.03 0.00 0.00 0.00 0.00 46.02 43.91 2x2a n GLY 80 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2x2a h GLU 81 N 5.24 0.87 -4.34 1.61 4.81 -1.92 -1.12 114.58 119.73 2x2a h GLU 81 Ca 0.00 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 59.00 2x2a h GLU 81 Cb 0.00 -0.20 -0.14 0.00 0.63 0.00 0.00 28.75 29.04 2x2a h GLU 81 CO 0.00 0.58 -0.57 -1.59 -0.73 0.00 0.00 179.01 176.70 2x2a s LYS 82 N -6.11 1.03 0.06 1.92 -2.85 -1.26 -3.65 119.74 108.88 2x2a s LYS 82 Ca -0.13 -1.42 -0.04 0.00 -1.00 0.00 0.00 55.97 53.38 2x2a s LYS 82 Cb 0.16 0.28 -0.02 0.00 -2.06 0.00 0.00 37.83 36.18 2x2a s LYS 82 CO 0.77 -0.32 0.06 -0.59 0.10 0.00 0.00 175.35 175.37 2x2a s PHE 83 N -4.05 0.34 0.64 1.78 -0.71 -0.06 -4.91 117.98 111.01 2x2a s PHE 83 Ca 0.26 -0.81 -0.15 0.00 -1.04 0.00 0.00 56.93 55.19 2x2a s PHE 83 Cb 0.06 -0.24 -0.01 0.00 -1.21 0.00 0.00 43.02 41.62 2x2a s PHE 83 CO 0.04 -0.43 1.08 -1.21 -1.34 0.00 0.00 175.22 173.36 2x2a s GLU 84 N -3.63 3.01 0.01 1.99 2.02 -1.26 -2.64 118.70 118.19 2x2a s GLU 84 Ca 0.04 1.26 -0.30 0.00 0.02 0.00 0.00 54.97 55.99 2x2a s GLU 84 Cb 0.05 -1.99 -0.08 0.00 0.10 0.00 0.00 34.13 32.21 2x2a s GLU 84 CO -0.09 -1.07 1.94 -0.51 0.02 0.00 0.00 175.26 175.55 2x2a s ASP 85 N -2.82 6.41 -0.04 -0.19 1.01 -1.26 -4.87 116.67 114.92 2x2a s ASP 85 Ca 0.64 2.56 -0.22 0.00 0.71 0.00 0.00 52.55 56.25 2x2a s ASP 85 Cb -0.18 -2.53 -0.16 0.00 1.01 0.00 0.00 42.92 41.07 2x2a s ASP 85 CO 0.41 -1.10 0.97 -0.08 0.21 0.00 0.00 175.17 175.58 2x2a h GLU 86 N 10.74 -0.26 -2.15 8.23 4.81 -2.00 -3.48 114.58 130.47 2x2a h GLU 86 Ca -0.48 0.02 0.20 0.00 -0.13 0.00 0.00 59.36 58.97 2x2a h GLU 86 Cb 1.23 0.06 -0.10 0.00 0.63 0.00 0.00 28.75 30.57 2x2a h GLU 86 CO 0.94 0.14 0.55 0.54 -0.73 0.00 0.00 179.01 180.46 2x2a s ASN 87 N -5.36 -0.18 -0.27 1.04 2.20 -1.26 -5.05 114.94 106.05 2x2a s ASN 87 Ca -0.13 -0.28 0.08 0.00 -0.94 0.00 0.00 52.86 51.59 2x2a s ASN 87 Cb 0.01 0.41 0.45 0.00 -2.00 0.00 0.00 41.25 40.11 2x2a s ASN 87 CO 0.49 -0.74 1.22 0.49 -2.94 0.00 0.00 177.10 175.62 2x2a n PHE 88 N -0.43 1.91 -0.10 1.54 3.72 -1.26 -4.70 117.46 118.14 2x2a n PHE 88 Ca -0.07 -2.01 -0.11 0.00 -0.05 0.00 0.00 57.45 55.22 2x2a n PHE 88 Cb 0.61 -0.33 -0.03 0.00 -0.94 0.00 0.00 39.48 38.79 2x2a n PHE 88 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 2x2a h ILE 89 N 1.79 1.24 -3.40 4.37 2.04 -1.94 -3.44 117.51 118.16 2x2a h ILE 89 Ca 0.26 -0.87 -0.54 0.00 1.00 0.00 0.00 64.86 64.70 2x2a h ILE 89 Cb 1.37 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 38.63 2x2a h ILE 89 CO 0.54 0.28 -0.01 -0.76 0.00 0.00 0.00 178.15 178.21 2x2a s LEU 90 N -9.53 4.36 0.28 1.44 1.43 -1.26 -5.08 118.68 110.33 2x2a s LEU 90 Ca -0.13 1.23 0.08 0.00 -1.03 0.00 0.00 54.13 54.27 2x2a s LEU 90 Cb 0.08 -3.34 -0.04 0.00 0.03 0.00 0.00 46.19 42.93 2x2a s LEU 90 CO 0.76 0.10 0.19 -0.54 0.23 0.00 0.00 176.35 177.08 2x2a s LYS 91 N -1.86 2.75 -1.29 1.70 1.02 -1.26 -4.46 119.74 116.34 2x2a s LYS 91 Ca 0.39 -1.20 -0.17 0.00 0.02 0.00 0.00 55.97 55.00 2x2a s LYS 91 Cb -0.16 -2.46 0.08 0.00 -0.52 0.00 0.00 37.83 34.77 2x2a s LYS 91 CO 0.20 0.30 1.70 -1.01 -0.92 0.00 0.00 175.35 175.62 2x2a s HIS 92 N -2.22 2.88 -0.58 3.18 3.76 -1.26 -4.81 115.29 116.23 2x2a s HIS 92 Ca 0.35 -1.70 0.24 0.00 -0.15 0.00 0.00 55.06 53.80 2x2a s HIS 92 Cb -0.07 -4.70 0.41 0.00 1.11 0.00 0.00 32.58 29.33 2x2a s HIS 92 CO 0.24 -1.75 1.43 1.79 -0.85 0.00 0.00 174.74 175.60 2x2a h THR 93 N 5.45 0.00 0.00 1.30 1.35 -1.92 -2.86 112.91 116.23 2x2a h THR 93 Ca 0.43 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 2x2a h THR 93 Cb 0.87 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 2x2a h THR 93 CO 1.43 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 177.31 2x2a n GLY 94 N 1.28 -1.51 3.74 5.82 0.00 -1.26 -4.60 105.19 108.65 2x2a n GLY 94 Ca 0.03 -1.03 -0.39 0.00 0.00 0.00 0.00 46.02 44.63 2x2a n GLY 94 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2x2a n PRO 95 N -0.17 1.80 -0.25 1.61 -0.02 -1.26 -3.11 135.00 133.61 2x2a n PRO 95 Ca 0.00 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 2x2a n PRO 95 Cb 0.00 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 30.93 2x2a n PRO 95 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x2a n GLY 96 N 0.75 1.06 3.75 -1.23 0.00 0.78 -4.88 105.19 105.43 2x2a n GLY 96 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 2x2a n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x2a s ILE 97 N -2.73 2.68 -0.18 -0.61 -1.09 -1.18 -0.30 121.20 117.79 2x2a s ILE 97 Ca 0.00 0.61 -0.08 0.00 -2.23 0.00 0.00 60.65 58.95 2x2a s ILE 97 Cb 0.00 -3.39 -0.04 0.00 -1.58 0.00 0.00 42.46 37.45 2x2a s ILE 97 CO 0.00 0.12 0.09 -0.76 -1.23 0.00 0.00 174.94 173.16 2x2a s LEU 98 N -0.95 3.98 0.02 2.97 1.43 -0.02 -0.32 118.68 125.80 2x2a s LEU 98 Ca 0.55 0.16 -0.05 0.00 -1.03 0.00 0.00 54.13 53.76 2x2a s LEU 98 Cb -0.41 -2.01 -0.01 0.00 0.03 0.00 0.00 46.19 43.79 2x2a s LEU 98 CO 0.47 0.20 0.08 -0.55 0.23 0.00 0.00 176.35 176.78 2x2a s SER 99 N 0.24 0.15 -0.05 2.29 0.15 -0.63 -1.21 113.70 114.64 2x2a s SER 99 Ca 0.06 -0.44 -0.25 0.00 0.70 0.00 0.00 55.95 56.02 2x2a s SER 99 Cb -0.12 0.19 -0.04 0.00 -1.71 0.00 0.00 66.02 64.35 2x2a s SER 99 CO -0.00 -0.42 0.76 -0.04 1.20 0.00 0.00 173.24 174.73 2x2a s MET 100 N -2.01 4.46 0.51 5.44 -1.94 -0.38 -0.69 119.30 124.69 2x2a s MET 100 Ca -0.10 0.99 -0.22 0.00 -1.71 0.00 0.00 55.69 54.65 2x2a s MET 100 Cb -0.05 -3.45 -0.06 0.00 2.01 0.00 0.00 34.83 33.28 2x2a s MET 100 CO -0.02 0.04 1.21 0.00 -0.01 0.00 0.00 175.02 176.24 2x2a s ALA 101 N 0.85 2.84 0.25 3.03 0.00 -0.65 -4.28 121.76 123.80 2x2a s ALA 101 Ca 0.40 1.02 -0.18 0.00 0.00 0.00 0.00 51.96 53.21 2x2a s ALA 101 Cb -0.18 -3.43 0.01 0.00 0.00 0.00 0.00 23.12 19.52 2x2a s ALA 101 CO 0.20 -0.91 0.60 0.54 0.00 0.00 0.00 175.76 176.19 2x2a s ASN 102 N -1.35 -0.21 -0.15 0.00 2.20 -1.26 -4.56 114.94 109.59 2x2a s ASN 102 Ca 0.69 -0.67 0.14 0.00 -0.94 0.00 0.00 52.86 52.08 2x2a s ASN 102 Cb -0.31 0.65 0.36 0.00 -2.00 0.00 0.00 41.25 39.95 2x2a s ASN 102 CO 0.36 -1.22 1.18 0.00 -2.94 0.00 0.00 177.10 174.49 2x2a n ALA 103 N -0.41 3.02 0.00 3.54 0.00 -1.26 -5.07 120.51 120.33 2x2a n ALA 103 Ca -0.05 -2.88 0.00 0.00 0.00 0.00 0.00 53.44 50.51 2x2a n ALA 103 Cb 0.61 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.65 2x2a n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x2a n GLY 104 N -0.99 3.83 3.60 0.00 0.00 -1.26 -5.06 105.19 105.31 2x2a n GLY 104 Ca 0.16 -1.43 -0.45 0.00 0.00 0.00 0.00 46.02 44.29 2x2a n GLY 104 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2x2a n PRO 105 N -1.79 1.40 -3.62 1.61 -0.04 -1.26 -3.17 135.00 128.12 2x2a n PRO 105 Ca 0.00 0.49 -0.24 0.00 -0.04 0.00 0.00 63.50 63.71 2x2a n PRO 105 Cb 0.00 -1.92 0.07 0.00 -0.04 0.00 0.00 33.50 31.61 2x2a n PRO 105 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2x2a n ASN 106 N 1.47 -5.81 -0.65 3.54 5.03 -1.26 -4.91 115.26 112.67 2x2a n ASN 106 Ca 0.11 -0.58 0.06 0.00 0.87 0.00 0.00 54.58 55.04 2x2a n ASN 106 Cb 0.30 -4.90 0.15 0.00 -1.02 0.00 0.00 39.78 34.31 2x2a n ASN 106 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2x2a n THR 107 N -4.90 1.64 -2.04 3.41 -2.24 -1.19 -4.53 114.28 104.42 2x2a n THR 107 Ca -0.01 -2.48 -0.41 0.00 -2.27 0.00 0.00 64.05 58.87 2x2a n THR 107 Cb 0.57 0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 68.79 2x2a n THR 107 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2x2a s ASN 108 N -2.83 6.68 0.00 3.42 0.01 -1.08 -4.65 114.94 116.49 2x2a s ASN 108 Ca 0.34 2.69 0.00 0.00 -0.71 0.00 0.00 52.86 55.18 2x2a s ASN 108 Cb 0.33 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 39.36 2x2a s ASN 108 CO -0.06 -0.65 0.00 0.61 -1.51 0.00 0.00 177.10 175.49 2x2a n GLY 109 N 1.55 2.20 0.00 0.66 0.00 -1.26 -0.88 105.19 107.46 2x2a n GLY 109 Ca 0.04 -0.19 0.03 0.00 0.00 0.00 0.00 46.02 45.90 2x2a n GLY 109 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2x2a n SER 110 N 0.00 3.14 -4.77 1.61 3.41 -1.25 -3.84 113.62 111.92 2x2a n SER 110 Ca 0.00 -0.11 -0.38 0.00 -0.26 0.00 0.00 58.87 58.12 2x2a n SER 110 Cb 0.00 1.21 -0.01 0.00 -0.26 0.00 0.00 64.21 65.15 2x2a n SER 110 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2x2a s GLN 111 N -2.24 3.90 0.19 4.33 -0.21 -1.25 -4.59 119.66 119.79 2x2a s GLN 111 Ca -0.01 1.92 -0.08 0.00 0.02 0.00 0.00 55.36 57.21 2x2a s GLN 111 Cb 0.04 -2.60 -0.01 0.00 1.00 0.00 0.00 33.01 31.44 2x2a s GLN 111 CO 0.23 -0.48 0.30 -0.59 -2.12 0.00 0.00 175.29 172.63 2x2a s PHE 112 N -1.40 0.52 0.02 0.91 -0.12 -0.64 -1.64 117.98 115.64 2x2a s PHE 112 Ca 0.60 -0.86 0.00 0.00 -0.05 0.00 0.00 56.93 56.62 2x2a s PHE 112 Cb -0.33 -0.09 -0.02 0.00 -0.63 0.00 0.00 43.02 41.96 2x2a s PHE 112 CO 0.41 -0.77 -0.03 -0.59 -0.05 0.00 0.00 175.22 174.19 2x2a s PHE 113 N -4.01 0.27 -0.35 3.49 -0.71 0.13 -1.39 117.98 115.42 2x2a s PHE 113 Ca 0.22 -0.48 -0.12 0.00 -1.04 0.00 0.00 56.93 55.51 2x2a s PHE 113 Cb 0.03 -0.19 -0.00 0.00 -1.21 0.00 0.00 43.02 41.64 2x2a s PHE 113 CO 0.04 -0.16 0.23 0.42 -1.34 0.00 0.00 175.22 174.40 2x2a s ILE 114 N -1.32 5.06 0.35 -4.49 1.01 -0.00 -1.60 121.20 120.21 2x2a s ILE 114 Ca -0.14 -0.39 -0.27 0.00 0.00 0.00 0.00 60.65 59.85 2x2a s ILE 114 Cb -0.09 -3.65 -0.09 0.00 0.01 0.00 0.00 42.46 38.64 2x2a s ILE 114 CO -0.01 -0.06 1.15 0.00 0.00 0.00 0.00 174.94 176.02 2x2a n THR 116 N 0.54 0.40 -3.91 0.00 -2.24 -0.32 -0.16 114.28 108.59 2x2a n THR 116 Ca 0.02 -0.70 -0.10 0.00 -2.27 0.00 0.00 64.05 61.00 2x2a n THR 116 Cb 0.46 0.95 -0.06 0.00 -2.10 0.00 0.00 70.33 69.57 2x2a n THR 116 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2x2a s ALA 117 N -1.00 -0.23 0.08 6.98 0.00 -1.26 -4.48 121.76 121.84 2x2a s ALA 117 Ca 0.19 -0.73 -0.31 0.00 0.00 0.00 0.00 51.96 51.11 2x2a s ALA 117 Cb 0.11 0.88 -0.09 0.00 0.00 0.00 0.00 23.12 24.02 2x2a s ALA 117 CO 0.16 -0.70 1.84 0.21 0.00 0.00 0.00 175.76 177.26 2x2a s LYS 118 N -3.95 4.15 -0.64 0.00 2.20 -1.26 -4.13 119.74 116.11 2x2a s LYS 118 Ca 0.16 2.54 0.05 0.00 -0.36 0.00 0.00 55.97 58.36 2x2a s LYS 118 Cb 0.02 -3.80 0.28 0.00 -1.51 0.00 0.00 37.83 32.82 2x2a s LYS 118 CO 0.00 -0.86 0.83 0.25 -0.36 0.00 0.00 175.35 175.21 2x2a n THR 119 N 5.04 2.66 0.26 3.43 -2.24 -1.08 -4.91 114.28 117.44 2x2a n THR 119 Ca 0.18 -5.35 0.11 0.00 -2.27 0.00 0.00 64.05 56.73 2x2a n THR 119 Cb 0.40 -1.90 0.70 0.00 -2.10 0.00 0.00 70.33 67.42 2x2a n THR 119 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2x2a h LYS 120 N 3.87 0.00 0.00 -0.78 3.64 -1.92 -1.66 116.57 119.72 2x2a h LYS 120 Ca 0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2x2a h LYS 120 Cb 0.61 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2x2a h LYS 120 CO 0.85 0.12 0.00 -2.67 -2.27 0.00 0.00 179.45 175.48 2x2a n TRP 121 N -3.81 0.63 0.91 1.91 2.14 -1.26 -1.68 117.44 116.28 2x2a n TRP 121 Ca -0.02 0.27 0.12 0.00 2.07 0.00 0.00 57.50 59.94 2x2a n TRP 121 Cb 0.22 -0.93 0.23 0.00 -0.81 0.00 0.00 31.31 30.02 2x2a n TRP 121 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 2x2a n LEU 122 N -2.10 0.53 -4.72 5.67 4.77 -0.62 -4.93 117.00 115.60 2x2a n LEU 122 Ca 0.02 0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.61 2x2a n LEU 122 Cb 0.17 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 2x2a n LEU 122 CO 0.16 0.09 1.29 -1.81 -1.33 0.00 0.00 177.39 175.79 2x2a s ASP 123 N -3.23 6.47 0.00 -1.43 1.01 -0.68 -2.24 116.67 116.58 2x2a s ASP 123 Ca 0.10 2.78 0.00 0.00 0.71 0.00 0.00 52.55 56.14 2x2a s ASP 123 Cb 0.17 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.49 2x2a s ASP 123 CO 0.71 -0.90 0.00 0.61 0.21 0.00 0.00 175.17 175.80 2x2a n GLY 124 N 3.55 0.68 2.07 0.21 0.00 -1.26 -5.12 105.19 105.32 2x2a n GLY 124 Ca 0.14 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 2x2a n GLY 124 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2x2a n HIS 126 N -3.26 -0.26 -2.69 1.61 8.25 -0.95 -5.03 115.22 112.89 2x2a n HIS 126 Ca 0.00 0.59 -0.43 0.00 -0.26 0.00 0.00 57.72 57.62 2x2a n HIS 126 Cb 0.32 -1.19 -0.03 0.00 1.12 0.00 0.00 29.99 30.21 2x2a n HIS 126 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2x2a s VAL 127 N -0.58 4.51 0.05 1.59 1.01 -1.26 -4.84 120.40 120.88 2x2a s VAL 127 Ca 0.40 1.55 -0.30 0.00 0.00 0.00 0.00 61.98 63.62 2x2a s VAL 127 Cb -0.57 -4.40 -0.05 0.00 0.00 0.00 0.00 36.38 31.36 2x2a s VAL 127 CO 0.34 -0.53 1.04 -0.69 0.00 0.00 0.00 175.10 175.26 2x2a s VAL 128 N 3.65 4.52 0.00 2.92 1.01 -1.26 -1.25 120.40 129.99 2x2a s VAL 128 Ca 0.43 1.88 0.00 0.00 0.00 0.00 0.00 61.98 64.30 2x2a s VAL 128 Cb -0.12 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.06 2x2a s VAL 128 CO 0.17 0.19 0.11 2.22 0.00 0.00 0.00 175.10 177.79 2x2a n PHE 129 N 3.56 0.00 -3.86 5.22 1.16 -0.35 -4.73 117.46 118.46 2x2a n PHE 129 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.64 2x2a n PHE 129 Cb 0.49 0.00 0.01 0.00 -1.61 0.00 0.00 39.48 38.38 2x2a n PHE 129 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2x2a n GLY 130 N 0.00 0.56 3.45 4.97 0.00 -1.16 -0.35 105.19 112.67 2x2a n GLY 130 Ca 0.00 -1.01 -0.17 0.00 0.00 0.00 0.00 46.02 44.84 2x2a n GLY 130 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x2a s LYS 131 N -2.02 0.96 0.26 1.61 2.20 -0.28 -0.84 119.74 121.63 2x2a s LYS 131 Ca 0.18 0.17 -0.30 0.00 -0.36 0.00 0.00 55.97 55.65 2x2a s LYS 131 Cb -0.01 0.45 -0.11 0.00 -1.51 0.00 0.00 37.83 36.65 2x2a s LYS 131 CO 0.01 -0.29 1.58 0.08 -0.36 0.00 0.00 175.35 176.37 2x2a s VAL 132 N -1.19 2.23 -0.19 4.02 1.01 0.59 -0.72 120.40 126.15 2x2a s VAL 132 Ca -0.11 0.18 -0.17 0.00 0.00 0.00 0.00 61.98 61.89 2x2a s VAL 132 Cb -0.01 -3.12 -0.07 0.00 0.00 0.00 0.00 36.38 33.18 2x2a s VAL 132 CO 0.08 0.03 -0.32 1.17 0.00 0.00 0.00 175.10 176.06 2x2a n LYS 133 N 2.64 0.53 -4.21 2.72 4.81 0.72 -4.80 118.16 120.58 2x2a n LYS 133 Ca 0.10 0.26 -0.20 0.00 -0.87 0.00 0.00 58.31 57.59 2x2a n LYS 133 Cb 0.38 -1.47 -0.12 0.00 0.02 0.00 0.00 35.03 33.84 2x2a n LYS 133 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2x2a s GLU 134 N -2.77 0.93 0.00 1.64 0.41 -1.19 -4.87 118.70 112.84 2x2a s GLU 134 Ca -0.29 -1.04 0.00 0.00 -0.41 0.00 0.00 54.97 53.23 2x2a s GLU 134 Cb 0.05 -1.01 0.00 0.00 -1.78 0.00 0.00 34.13 31.40 2x2a s GLU 134 CO 0.42 0.23 0.00 0.41 -0.49 0.00 0.00 175.26 175.83 2x2a n GLY 135 N 1.17 1.22 0.24 -1.39 0.00 -1.26 -1.15 105.19 104.01 2x2a n GLY 135 Ca -0.20 -0.22 0.07 0.00 0.00 0.00 0.00 46.02 45.68 2x2a n GLY 135 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2x2a h MET 136 N 0.00 0.00 -0.54 1.61 -1.53 -1.89 0.12 114.93 112.69 2x2a h MET 136 Ca 0.00 0.00 0.01 0.00 -3.44 0.00 0.00 59.70 56.27 2x2a h MET 136 Cb 0.10 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.12 2x2a h MET 136 CO 0.00 0.10 0.36 -2.95 0.14 0.00 0.00 176.91 174.56 2x2a h ASN 137 N 0.00 0.60 -0.50 1.39 -1.07 -1.95 0.58 115.58 114.62 2x2a h ASN 137 Ca -0.00 -0.01 -0.10 0.00 0.07 0.00 0.00 56.30 56.25 2x2a h ASN 137 Cb 0.18 -0.15 -0.02 0.00 -2.07 0.00 0.00 38.32 36.27 2x2a h ASN 137 CO 0.01 0.43 -0.10 0.40 0.07 0.00 0.00 177.43 178.24 2x2a h ILE 138 N 0.70 1.27 -0.45 6.14 1.08 -1.31 -0.90 117.51 124.04 2x2a h ILE 138 Ca 0.21 -1.23 -0.01 0.00 -0.39 0.00 0.00 64.86 63.43 2x2a h ILE 138 Cb -0.03 1.04 -0.02 0.00 -3.07 0.00 0.00 36.82 34.75 2x2a h ILE 138 CO -0.05 0.43 0.23 0.58 -0.69 0.00 0.00 178.15 178.65 2x2a h VAL 139 N 0.80 1.17 -0.28 1.67 2.07 -0.76 0.15 116.25 121.06 2x2a h VAL 139 Ca 0.13 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 2x2a h VAL 139 Cb 0.65 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 2x2a h VAL 139 CO 0.04 0.18 0.06 -0.33 0.02 0.00 0.00 177.57 177.55 2x2a h GLU 140 N 0.58 0.40 -0.59 1.57 5.08 -0.77 -1.83 114.58 119.03 2x2a h GLU 140 Ca 0.16 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 2x2a h GLU 140 Cb 0.08 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2x2a h GLU 140 CO -0.02 0.38 0.18 0.00 -1.00 0.00 0.00 179.01 178.55 2x2a h ALA 141 N 1.67 0.77 -0.86 3.43 0.00 -0.56 -2.64 119.26 121.07 2x2a h ALA 141 Ca 0.10 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.88 2x2a h ALA 141 Cb 0.17 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 2x2a h ALA 141 CO -0.00 0.43 0.56 0.52 0.00 0.00 0.00 179.25 180.76 2x2a h MET 142 N 0.83 0.88 0.00 0.00 2.86 -0.36 -2.50 114.93 116.63 2x2a h MET 142 Ca 0.19 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 2x2a h MET 142 Cb 0.28 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 2x2a h MET 142 CO -0.01 0.58 -0.03 0.93 1.06 0.00 0.00 176.91 179.45 2x2a h GLU 143 N 0.91 0.00 0.00 1.72 5.08 -0.97 -1.70 114.58 119.62 2x2a h GLU 143 Ca 0.38 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.74 2x2a h GLU 143 Cb 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 2x2a h GLU 143 CO -0.15 0.03 -0.02 0.00 -1.00 0.00 0.00 179.01 177.88 2x2a h ARG 144 N 0.00 0.00 -0.01 2.33 3.08 -1.42 -2.20 114.38 116.16 2x2a h ARG 144 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2x2a h ARG 144 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 2x2a h ARG 144 CO 0.00 0.02 -0.29 1.19 -1.07 0.00 0.00 179.97 179.82 2x2a n PHE 145 N -3.31 0.00 -2.28 3.04 3.72 -0.64 -4.98 117.46 113.01 2x2a n PHE 145 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2x2a n PHE 145 Cb 0.12 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 2x2a n PHE 145 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2x2a n GLY 146 N 1.35 0.85 1.89 1.37 0.00 -0.83 -0.89 105.19 108.92 2x2a n GLY 146 Ca 0.12 -1.97 -0.03 0.00 0.00 0.00 0.00 46.02 44.15 2x2a n GLY 146 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2x2a n SER 147 N -2.95 -0.97 0.18 1.61 3.41 -0.80 -4.83 113.62 109.26 2x2a n SER 147 Ca 0.00 -1.58 0.05 0.00 -0.26 0.00 0.00 58.87 57.08 2x2a n SER 147 Cb 0.00 1.59 0.27 0.00 -0.26 0.00 0.00 64.21 65.81 2x2a n SER 147 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2x2a h ARG 148 N 0.00 0.00 -0.18 4.33 3.08 -1.89 -1.83 114.38 117.89 2x2a h ARG 148 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.90 2x2a h ARG 148 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 2x2a h ARG 148 CO 0.19 0.40 0.00 0.27 -1.07 0.00 0.00 179.97 179.76 2x2a n ASN 149 N -3.42 2.80 0.00 7.04 6.94 -1.26 -4.95 115.26 122.40 2x2a n ASN 149 Ca 0.00 -1.90 0.00 0.00 -0.02 0.00 0.00 54.58 52.67 2x2a n ASN 149 Cb 0.56 -0.11 0.00 0.00 -2.36 0.00 0.00 39.78 37.88 2x2a n ASN 149 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2x2a n GLY 150 N 1.36 0.66 3.72 4.83 0.00 -0.69 -4.89 105.19 110.18 2x2a n GLY 150 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2x2a n GLY 150 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2x2a n LYS 151 N -2.00 2.61 -3.72 1.61 4.81 -1.26 -1.34 118.16 118.87 2x2a n LYS 151 Ca 0.00 0.93 -0.35 0.00 -0.87 0.00 0.00 58.31 58.02 2x2a n LYS 151 Cb 0.00 -2.72 -0.05 0.00 0.02 0.00 0.00 35.03 32.28 2x2a n LYS 151 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 2x2a s THR 152 N 0.37 5.26 -0.57 3.15 -4.23 -1.26 -3.09 115.64 115.28 2x2a s THR 152 Ca 0.69 0.31 0.24 0.00 -1.18 0.00 0.00 61.69 61.74 2x2a s THR 152 Cb -0.53 -3.57 0.20 0.00 1.34 0.00 0.00 72.50 69.93 2x2a s THR 152 CO 0.43 0.42 1.51 0.77 -0.54 0.00 0.00 174.62 177.22 2x2a h SER 153 N 4.19 0.00 -5.02 3.99 4.64 -1.34 -3.45 113.55 116.56 2x2a h SER 153 Ca -0.51 -0.06 -0.17 0.00 -0.47 0.00 0.00 61.79 60.58 2x2a h SER 153 Cb 1.20 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.15 2x2a h SER 153 CO 0.64 0.03 -0.68 -0.54 -0.87 0.00 0.00 176.83 175.41 2x2a s LYS 154 N -3.18 0.76 -0.20 4.77 1.02 -1.26 -5.13 119.74 116.53 2x2a s LYS 154 Ca 0.07 -1.31 -0.28 0.00 0.02 0.00 0.00 55.97 54.47 2x2a s LYS 154 Cb 0.11 0.06 0.00 0.00 -0.52 0.00 0.00 37.83 37.47 2x2a s LYS 154 CO 0.67 -0.11 0.98 0.21 -0.92 0.00 0.00 175.35 176.19 2x2a s LYS 155 N -3.91 4.29 -0.39 1.68 2.20 -1.26 -4.88 119.74 117.46 2x2a s LYS 155 Ca 0.12 1.28 -0.09 0.00 -0.36 0.00 0.00 55.97 56.92 2x2a s LYS 155 Cb 0.07 -3.61 0.06 0.00 -1.51 0.00 0.00 37.83 32.83 2x2a s LYS 155 CO -0.06 -0.51 0.22 0.42 -0.36 0.00 0.00 175.35 175.06 2x2a s ILE 156 N 2.78 4.27 0.19 5.43 -1.09 -1.26 -0.91 121.20 130.62 2x2a s ILE 156 Ca 0.43 -1.19 0.10 0.00 -2.23 0.00 0.00 60.65 57.76 2x2a s ILE 156 Cb -0.16 -3.52 -0.04 0.00 -1.58 0.00 0.00 42.46 37.16 2x2a s ILE 156 CO 0.09 -0.38 -0.15 0.42 -1.23 0.00 0.00 174.94 173.70 2x2a s THR 157 N 1.46 2.84 -0.98 2.92 -4.23 -0.27 -0.91 115.64 116.48 2x2a s THR 157 Ca 0.02 -1.86 -0.19 0.00 -1.18 0.00 0.00 61.69 58.48 2x2a s THR 157 Cb -0.21 -2.40 0.12 0.00 1.34 0.00 0.00 72.50 71.35 2x2a s THR 157 CO 0.04 -0.14 1.22 -0.63 -0.54 0.00 0.00 174.62 174.56 2x2a s ILE 158 N -1.76 4.61 0.27 2.99 1.01 0.12 -1.09 121.20 127.35 2x2a s ILE 158 Ca 0.24 -1.55 0.01 0.00 0.00 0.00 0.00 60.65 59.35 2x2a s ILE 158 Cb -0.08 -4.84 0.07 0.00 0.01 0.00 0.00 42.46 37.61 2x2a s ILE 158 CO 0.13 -1.60 1.71 0.00 0.00 0.00 0.00 174.94 175.19 2x2a h ALA 159 N 8.81 1.07 -2.68 9.38 0.00 -0.95 0.27 119.26 135.17 2x2a h ALA 159 Ca 0.18 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 2x2a h ALA 159 Cb 1.01 -0.13 -0.13 0.00 0.00 0.00 0.00 17.79 18.53 2x2a h ALA 159 CO 1.18 0.57 -0.18 0.34 0.00 0.00 0.00 179.25 181.15 2x2a s ASP 160 N -6.79 -0.09 0.07 0.00 2.15 -1.20 -4.47 116.67 106.35 2x2a s ASP 160 Ca -0.07 -0.50 -0.26 0.00 0.43 0.00 0.00 52.55 52.15 2x2a s ASP 160 Cb 0.14 0.44 0.08 0.00 -0.30 0.00 0.00 42.92 43.28 2x2a s ASP 160 CO 0.80 -0.84 0.72 0.00 -0.17 0.00 0.00 175.17 175.68 2x2a n GLY 162 N -0.15 -1.39 3.78 0.00 0.00 -0.83 -4.67 105.19 101.94 2x2a n GLY 162 Ca -0.14 -0.98 -0.37 0.00 0.00 0.00 0.00 46.02 44.53 2x2a n GLY 162 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2x2a s GLN 163 N -0.98 4.00 0.38 1.61 0.74 -1.26 -0.73 119.66 123.42 2x2a s GLN 163 Ca 0.00 0.05 -0.06 0.00 0.05 0.00 0.00 55.36 55.40 2x2a s GLN 163 Cb 0.00 -3.34 -0.05 0.00 1.10 0.00 0.00 33.01 30.73 2x2a s GLN 163 CO 0.00 0.45 0.68 -0.51 -0.55 0.00 0.00 175.29 175.36 2x2a s LEU 164 N -0.16 3.87 0.00 3.68 1.43 -0.26 -4.92 118.68 122.32 2x2a s LEU 164 Ca 0.16 0.86 0.14 0.00 -1.03 0.00 0.00 54.13 54.26 2x2a s LEU 164 Cb -0.13 -3.74 0.83 0.00 0.03 0.00 0.00 46.19 43.18 2x2a s LEU 164 CO 0.05 -0.37 1.25 -0.62 0.23 0.00 0.00 176.35 176.89