#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2biu s ASN 3 N 0.00 7.15 0.47 1.61 0.02 -1.26 -5.02 114.94 117.91 2biu s ASN 3 Ca 0.00 1.95 -0.24 0.00 -1.02 0.00 0.00 52.86 53.55 2biu s ASN 3 Cb 0.00 -2.59 -0.07 0.00 0.02 0.00 0.00 41.25 38.61 2biu s ASN 3 CO 0.00 -0.21 1.35 -2.84 0.02 0.00 0.00 177.10 175.42 2biu s PRO 4 N -2.12 3.57 -0.17 -0.60 0.02 -1.25 -4.84 135.00 129.60 2biu s PRO 4 Ca 0.52 2.22 -0.03 0.00 0.02 0.00 0.00 61.00 63.73 2biu s PRO 4 Cb -0.21 -2.51 -0.02 0.00 0.02 0.00 0.00 34.50 31.78 2biu s PRO 4 CO 0.27 -0.85 -0.05 -0.51 -0.33 0.00 0.00 177.00 175.53 2biu s LEU 5 N -2.97 3.09 0.30 -5.54 1.43 -1.26 -1.30 118.68 112.44 2biu s LEU 5 Ca 0.64 -0.22 0.08 0.00 -1.03 0.00 0.00 54.13 53.60 2biu s LEU 5 Cb -0.40 -1.75 -0.06 0.00 0.03 0.00 0.00 46.19 44.01 2biu s LEU 5 CO 0.49 0.12 -0.08 0.68 0.23 0.00 0.00 176.35 177.78 2biu s VAL 6 N 0.68 1.94 0.06 -1.59 -7.23 -0.41 -0.26 120.40 113.60 2biu s VAL 6 Ca -0.03 -2.18 0.04 0.00 -1.81 0.00 0.00 61.98 58.01 2biu s VAL 6 Cb -0.15 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.25 2biu s VAL 6 CO 0.02 -0.27 -0.12 -0.72 -0.31 0.00 0.00 175.10 173.71 2biu s TYR 7 N -2.81 1.01 -0.12 2.82 -0.85 -0.37 -0.79 117.35 116.24 2biu s TYR 7 Ca 0.31 -0.49 0.01 0.00 -0.52 0.00 0.00 57.07 56.37 2biu s TYR 7 Cb 0.03 -0.57 0.02 0.00 0.38 0.00 0.00 41.96 41.81 2biu s TYR 7 CO 0.14 0.00 -0.13 -0.51 -1.52 0.00 0.00 175.55 173.53 2biu s LEU 8 N -1.75 1.61 -0.22 -3.49 1.43 0.12 -2.34 118.68 114.05 2biu s LEU 8 Ca -0.04 -0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 52.51 2biu s LEU 8 Cb -0.09 -1.06 -0.05 0.00 0.03 0.00 0.00 46.19 45.02 2biu s LEU 8 CO 0.01 -0.03 0.27 -1.81 0.23 0.00 0.00 176.35 175.02 2biu s ASP 9 N 1.25 6.25 -0.09 2.29 1.01 0.48 -0.62 116.67 127.24 2biu s ASP 9 Ca -0.01 0.28 0.04 0.00 0.71 0.00 0.00 52.55 53.58 2biu s ASP 9 Cb -0.14 -2.16 -0.00 0.00 1.01 0.00 0.00 42.92 41.63 2biu s ASP 9 CO -0.05 -0.00 -0.24 -0.69 0.21 0.00 0.00 175.17 174.40 2biu s VAL 10 N 1.19 2.08 0.13 -1.27 1.01 -0.78 -0.49 120.40 122.26 2biu s VAL 10 Ca 0.13 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 61.10 2biu s VAL 10 Cb -0.14 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 2biu s VAL 10 CO 0.06 0.56 0.27 -1.81 0.00 0.00 0.00 175.10 174.18 2biu s ASP 11 N 0.21 6.34 -0.12 3.32 -0.00 0.28 -0.41 116.67 126.28 2biu s ASP 11 Ca -0.15 0.19 0.00 0.00 -0.00 0.00 0.00 52.55 52.59 2biu s ASP 11 Cb -0.17 -1.91 0.02 0.00 -0.00 0.00 0.00 42.92 40.86 2biu s ASP 11 CO 0.08 0.07 -0.11 0.00 -0.00 0.00 0.00 175.17 175.21 2biu s ALA 12 N -1.70 1.53 -1.56 5.23 0.00 0.00 -1.74 121.76 123.53 2biu s ALA 12 Ca 0.35 -0.67 -0.14 0.00 0.00 0.00 0.00 51.96 51.49 2biu s ALA 12 Cb -0.11 -0.93 0.10 0.00 0.00 0.00 0.00 23.12 22.18 2biu s ALA 12 CO 0.28 -0.33 0.93 0.09 0.00 0.00 0.00 175.76 176.73 2biu n ASN 13 N 4.74 -4.36 0.00 0.00 5.03 -0.36 -2.04 115.26 118.27 2biu n ASN 13 Ca -0.15 -0.83 0.00 0.00 0.87 0.00 0.00 54.58 54.47 2biu n ASN 13 Cb 0.50 -3.68 0.00 0.00 -1.02 0.00 0.00 39.78 35.59 2biu n ASN 13 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2biu n GLY 14 N -1.64 0.70 3.45 7.41 0.00 -1.26 -5.02 105.19 108.82 2biu n GLY 14 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 2biu n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2biu s LYS 15 N -0.15 2.61 0.17 1.61 -0.14 -0.86 -5.05 119.74 117.94 2biu s LYS 15 Ca 0.00 -0.71 -0.30 0.00 -1.36 0.00 0.00 55.97 53.59 2biu s LYS 15 Cb 0.00 -2.39 -0.08 0.00 -1.68 0.00 0.00 37.83 33.68 2biu s LYS 15 CO 0.00 0.55 1.34 -1.25 -0.76 0.00 0.00 175.35 175.23 2biu s PRO 16 N -0.55 4.36 0.01 -1.68 0.04 -1.26 -0.82 135.00 135.11 2biu s PRO 16 Ca 0.08 2.07 0.18 0.00 0.04 0.00 0.00 61.00 63.36 2biu s PRO 16 Cb -0.11 -3.21 -0.17 0.00 0.04 0.00 0.00 34.50 31.04 2biu s PRO 16 CO 0.01 -0.32 0.67 1.28 0.04 0.00 0.00 177.00 178.69 2biu n LEU 17 N 3.05 0.64 0.00 -3.56 4.77 0.45 -4.88 117.00 117.47 2biu n LEU 17 Ca 0.08 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 2biu n LEU 17 Cb 0.43 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 2biu n LEU 17 CO 0.58 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 2biu n GLY 18 N 1.43 0.65 3.22 -0.72 0.00 -1.23 -4.78 105.19 103.77 2biu n GLY 18 Ca -0.13 -2.16 -0.31 0.00 0.00 0.00 0.00 46.02 43.42 2biu n GLY 18 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2biu s ARG 19 N -0.56 2.81 -0.25 1.61 3.52 -1.26 -1.87 118.95 122.95 2biu s ARG 19 Ca 0.00 -0.86 -0.11 0.00 -0.13 0.00 0.00 55.73 54.63 2biu s ARG 19 Cb 0.00 -2.20 -0.05 0.00 -1.56 0.00 0.00 34.95 31.14 2biu s ARG 19 CO 0.00 0.23 0.19 0.08 -0.81 0.00 0.00 175.30 174.99 2biu s VAL 20 N 0.21 5.33 -0.16 7.11 1.01 0.21 -4.13 120.40 129.96 2biu s VAL 20 Ca -0.14 0.22 -0.06 0.00 0.00 0.00 0.00 61.98 62.00 2biu s VAL 20 Cb -0.17 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 2biu s VAL 20 CO 0.07 0.30 0.03 -0.69 0.00 0.00 0.00 175.10 174.81 2biu s VAL 21 N 1.36 4.54 -0.06 2.92 1.01 0.16 -0.70 120.40 129.63 2biu s VAL 21 Ca 0.08 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 61.98 2biu s VAL 21 Cb -0.15 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.22 2biu s VAL 21 CO 0.07 0.50 -0.22 -0.76 0.00 0.00 0.00 175.10 174.69 2biu s LEU 22 N 0.11 2.00 -0.12 3.92 1.43 0.03 -0.43 118.68 125.64 2biu s LEU 22 Ca 0.03 -0.46 -0.22 0.00 -1.03 0.00 0.00 54.13 52.46 2biu s LEU 22 Cb -0.13 -1.23 -0.03 0.00 0.03 0.00 0.00 46.19 44.83 2biu s LEU 22 CO 0.01 0.19 0.63 -0.70 0.23 0.00 0.00 176.35 176.71 2biu s GLU 23 N 0.04 4.35 -0.25 1.70 2.12 -0.29 -1.29 118.70 125.08 2biu s GLU 23 Ca -0.07 0.71 -0.12 0.00 0.36 0.00 0.00 54.97 55.85 2biu s GLU 23 Cb -0.14 -3.48 -0.05 0.00 0.26 0.00 0.00 34.13 30.72 2biu s GLU 23 CO 0.04 -0.00 0.23 -0.51 -0.54 0.00 0.00 175.26 174.48 2biu s LEU 24 N 1.08 4.08 -1.44 2.70 1.43 -0.42 -2.03 118.68 124.09 2biu s LEU 24 Ca 0.32 0.16 -0.12 0.00 -1.03 0.00 0.00 54.13 53.47 2biu s LEU 24 Cb -0.17 -2.21 0.05 0.00 0.03 0.00 0.00 46.19 43.90 2biu s LEU 24 CO 0.14 -0.02 2.29 0.29 0.23 0.00 0.00 176.35 179.29 2biu n LYS 25 N 4.66 3.31 0.29 1.70 4.76 0.36 -3.83 118.16 129.43 2biu n LYS 25 Ca -0.13 -2.81 0.15 0.00 -2.87 0.00 0.00 58.31 52.65 2biu n LYS 25 Cb 0.52 -3.07 0.89 0.00 -1.84 0.00 0.00 35.03 31.53 2biu n LYS 25 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2biu h ALA 26 N 5.65 1.48 0.00 7.82 0.00 -1.84 0.70 119.26 133.08 2biu h ALA 26 Ca 0.60 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.43 2biu h ALA 26 Cb 0.55 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2biu h ALA 26 CO 1.78 0.03 -0.25 0.38 0.00 0.00 0.00 179.25 181.19 2biu h ASP 27 N 0.00 0.00 0.00 0.00 2.03 -1.96 -2.77 116.42 113.73 2biu h ASP 27 Ca -0.00 0.00 -0.34 0.00 -0.73 0.00 0.00 57.03 55.96 2biu h ASP 27 Cb 0.06 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.50 2biu h ASP 27 CO 0.00 0.25 -2.25 0.52 -1.03 0.00 0.00 179.24 176.73 2biu n VAL 28 N -4.15 1.25 -3.30 4.15 0.31 -0.76 -4.81 118.33 111.02 2biu n VAL 28 Ca -0.02 -0.44 -0.25 0.00 -0.01 0.00 0.00 64.34 63.62 2biu n VAL 28 Cb 0.31 -1.41 -0.08 0.00 -0.91 0.00 0.00 33.84 31.75 2biu n VAL 28 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 2biu n VAL 29 N -3.37 0.62 -0.13 2.52 0.24 0.17 -4.94 118.33 113.43 2biu n VAL 29 Ca -0.40 -4.52 0.00 0.00 -2.04 0.00 0.00 64.34 57.38 2biu n VAL 29 Cb 0.89 -2.02 0.27 0.00 -1.47 0.00 0.00 33.84 31.51 2biu n VAL 29 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2biu h PRO 30 N 4.14 0.82 -0.21 7.34 0.13 -1.68 0.15 132.00 142.69 2biu h PRO 30 Ca 0.13 -0.09 -0.18 0.00 -0.87 0.00 0.00 66.00 64.99 2biu h PRO 30 Cb 0.79 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 31.75 2biu h PRO 30 CO 0.62 0.61 -0.60 0.87 -0.23 0.00 0.00 178.00 179.28 2biu h LYS 31 N 0.83 0.68 -0.11 0.86 1.57 -1.94 -0.20 116.57 118.26 2biu h LYS 31 Ca 0.21 -0.46 -0.14 0.00 -1.87 0.00 0.00 60.65 58.39 2biu h LYS 31 Cb 0.04 0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.42 2biu h LYS 31 CO -0.03 1.08 -0.49 1.15 -0.57 0.00 0.00 179.45 180.59 2biu h THR 32 N 0.51 1.36 -0.64 -0.16 2.02 -1.90 -2.50 112.91 111.60 2biu h THR 32 Ca -0.00 -1.80 0.00 0.00 0.77 0.00 0.00 66.41 65.38 2biu h THR 32 Cb 1.18 2.16 -0.03 0.00 -1.74 0.00 0.00 68.15 69.72 2biu h THR 32 CO 0.12 0.54 0.40 0.00 0.37 0.00 0.00 175.52 176.96 2biu h ALA 33 N 0.49 0.81 -0.72 6.16 0.00 -0.94 -2.65 119.26 122.41 2biu h ALA 33 Ca -0.03 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2biu h ALA 33 Cb 1.13 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 2biu h ALA 33 CO 0.10 0.27 0.30 1.49 0.00 0.00 0.00 179.25 181.41 2biu h GLU 34 N 0.87 1.07 -0.01 0.00 4.57 -1.00 0.11 114.58 120.19 2biu h GLU 34 Ca 0.23 -0.19 0.03 0.00 -1.18 0.00 0.00 59.36 58.25 2biu h GLU 34 Cb -0.06 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.32 2biu h GLU 34 CO -0.05 0.88 -0.16 -0.97 -1.18 0.00 0.00 179.01 177.53 2biu h ASN 35 N 1.03 -0.48 -0.53 1.04 -1.24 -1.31 -1.30 115.58 112.80 2biu h ASN 35 Ca 0.24 0.07 -0.03 0.00 0.71 0.00 0.00 56.30 57.29 2biu h ASN 35 Cb 0.20 0.20 -0.02 0.00 0.73 0.00 0.00 38.32 39.43 2biu h ASN 35 CO -0.02 -0.22 0.20 0.15 -1.29 0.00 0.00 177.43 176.24 2biu h PHE 36 N -0.27 0.81 -0.25 0.67 3.57 -1.16 -1.82 116.94 118.50 2biu h PHE 36 Ca 0.05 -0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.52 2biu h PHE 36 Cb 0.34 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 2biu h PHE 36 CO -0.22 0.68 0.07 -0.09 -2.23 0.00 0.00 178.31 176.52 2biu h ARG 37 N 0.71 0.17 -0.01 1.11 2.43 -0.78 -0.95 114.38 117.07 2biu h ARG 37 Ca 0.17 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.23 2biu h ARG 37 Cb 0.22 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 2biu h ARG 37 CO -0.01 0.11 -0.48 0.00 -1.51 0.00 0.00 179.97 178.08 2biu h ALA 38 N 1.17 1.20 0.00 2.80 0.00 -1.12 -2.06 119.26 121.24 2biu h ALA 38 Ca 0.11 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 2biu h ALA 38 Cb 0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2biu h ALA 38 CO -0.13 0.60 -0.50 -0.07 0.00 0.00 0.00 179.25 179.15 2biu h LEU 39 N 0.02 0.00 -0.29 0.00 3.38 -0.84 -0.21 115.31 117.37 2biu h LEU 39 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2biu h LEU 39 Cb 0.85 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2biu h LEU 39 CO 0.06 0.50 -0.26 0.00 0.09 0.00 0.00 178.44 178.84 2biu h THR 41 N 0.43 1.15 -0.06 0.00 1.35 -1.30 -3.05 112.91 111.43 2biu h THR 41 Ca 0.05 -2.42 -0.03 0.00 -0.55 0.00 0.00 66.41 63.46 2biu h THR 41 Cb 0.82 2.43 -0.01 0.00 -1.73 0.00 0.00 68.15 69.66 2biu h THR 41 CO 0.07 0.61 -0.02 0.61 -0.25 0.00 0.00 175.52 176.54 2biu n GLY 42 N 1.00 0.51 0.32 5.82 0.00 -0.10 -4.92 105.19 107.82 2biu n GLY 42 Ca 0.01 -0.39 0.21 0.00 0.00 0.00 0.00 46.02 45.85 2biu n GLY 42 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2biu h GLU 43 N 0.50 0.00 -0.00 1.61 4.11 -1.79 -0.59 114.58 118.42 2biu h GLU 43 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.40 2biu h GLU 43 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2biu h GLU 43 CO 0.04 0.01 -0.16 1.63 0.07 0.00 0.00 179.01 180.59 2biu n LYS 44 N -3.14 0.69 0.00 1.06 4.76 -1.26 -4.91 118.16 115.36 2biu n LYS 44 Ca -0.02 -0.30 0.00 0.00 -2.87 0.00 0.00 58.31 55.12 2biu n LYS 44 Cb 0.13 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 2biu n LYS 44 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2biu n GLY 45 N 1.31 0.89 3.55 0.72 0.00 -0.23 -5.07 105.19 106.36 2biu n GLY 45 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 2biu n GLY 45 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2biu s PHE 46 N -2.00 -0.23 -5.00 1.61 -0.12 -1.25 -5.12 117.98 105.87 2biu s PHE 46 Ca 0.00 -0.10 0.00 0.00 -0.05 0.00 0.00 56.93 56.78 2biu s PHE 46 Cb 0.00 0.48 0.00 0.00 -0.63 0.00 0.00 43.02 42.87 2biu s PHE 46 CO 0.00 -0.95 0.00 0.41 -0.05 0.00 0.00 175.22 174.63 2biu n GLY 47 N -0.37 -0.18 0.17 1.99 0.00 -1.26 -4.37 105.19 101.18 2biu n GLY 47 Ca -0.11 -1.25 0.12 0.00 0.00 0.00 0.00 46.02 44.78 2biu n GLY 47 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2biu h TYR 48 N 0.00 0.00 -2.46 1.61 0.05 -1.59 -3.45 116.97 111.13 2biu h TYR 48 Ca 0.00 0.00 -0.55 0.00 0.05 0.00 0.00 58.73 58.23 2biu h TYR 48 Cb 0.00 0.00 0.05 0.00 1.01 0.00 0.00 36.73 37.79 2biu h TYR 48 CO 0.00 0.00 0.99 1.17 -1.05 0.00 0.00 178.16 179.27 2biu n LYS 49 N -2.76 2.56 -0.09 4.88 4.81 -1.26 -1.29 118.16 125.00 2biu n LYS 49 Ca 0.05 0.93 0.00 0.00 -0.87 0.00 0.00 58.31 58.41 2biu n LYS 49 Cb 0.49 -2.77 0.00 0.00 0.02 0.00 0.00 35.03 32.77 2biu n LYS 49 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2biu n GLY 50 N 3.92 1.69 3.57 3.14 0.00 0.11 -5.04 105.19 112.57 2biu n GLY 50 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 2biu n GLY 50 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2biu n SER 51 N 0.00 0.87 -4.38 1.61 3.41 -0.41 -4.75 113.62 109.96 2biu n SER 51 Ca 0.00 -1.85 -0.20 0.00 -0.26 0.00 0.00 58.87 56.56 2biu n SER 51 Cb 0.00 -0.71 -0.10 0.00 -0.26 0.00 0.00 64.21 63.14 2biu n SER 51 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2biu s THR 52 N -3.10 1.77 -0.53 6.66 -4.23 -1.26 -0.25 115.64 114.70 2biu s THR 52 Ca 0.64 -2.20 -0.24 0.00 -1.18 0.00 0.00 61.69 58.71 2biu s THR 52 Cb -0.03 -2.21 0.04 0.00 1.34 0.00 0.00 72.50 71.64 2biu s THR 52 CO 0.43 -0.48 0.91 -0.36 -0.54 0.00 0.00 174.62 174.58 2biu s PHE 53 N -2.95 2.84 -0.54 3.99 0.40 -0.16 -3.70 117.98 117.85 2biu s PHE 53 Ca 0.26 0.03 0.22 0.00 -0.60 0.00 0.00 56.93 56.84 2biu s PHE 53 Cb 0.00 -3.99 -0.07 0.00 0.51 0.00 0.00 43.02 39.47 2biu s PHE 53 CO 0.09 -1.26 0.90 -2.39 0.70 0.00 0.00 175.22 173.26 2biu n HIS 54 N 7.28 0.20 -3.58 0.36 1.44 -0.92 -4.52 115.22 115.47 2biu n HIS 54 Ca 0.02 0.06 -0.20 0.00 -2.01 0.00 0.00 57.72 55.59 2biu n HIS 54 Cb 0.48 -0.40 -0.15 0.00 0.12 0.00 0.00 29.99 30.03 2biu n HIS 54 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 2biu s ARG 55 N -3.23 0.10 -0.06 -1.40 3.52 -1.20 -4.57 118.95 112.10 2biu s ARG 55 Ca 0.02 0.24 -0.01 0.00 -0.13 0.00 0.00 55.73 55.85 2biu s ARG 55 Cb 0.14 -1.08 0.03 0.00 -1.56 0.00 0.00 34.95 32.48 2biu s ARG 55 CO 0.83 -0.55 -0.01 0.08 -0.81 0.00 0.00 175.30 174.85 2biu s VAL 56 N 2.26 0.37 -0.21 7.11 1.01 -0.31 -0.22 120.40 130.40 2biu s VAL 56 Ca 0.04 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.11 2biu s VAL 56 Cb -0.15 -0.50 0.04 0.00 0.00 0.00 0.00 36.38 35.78 2biu s VAL 56 CO -0.09 0.24 -0.12 -0.63 0.00 0.00 0.00 175.10 174.49 2biu s ILE 57 N 1.65 1.88 0.36 2.22 1.01 -0.51 -1.74 121.20 126.07 2biu s ILE 57 Ca -0.00 -1.18 -0.28 0.00 0.00 0.00 0.00 60.65 59.19 2biu s ILE 57 Cb -0.13 -1.91 -0.12 0.00 0.01 0.00 0.00 42.46 40.31 2biu s ILE 57 CO -0.04 0.18 1.34 -2.65 0.00 0.00 0.00 174.94 173.78 2biu n PRO 58 N 4.60 2.25 -2.11 2.79 -0.02 -1.26 -1.60 135.00 139.64 2biu n PRO 58 Ca -0.16 0.79 -0.18 0.00 -2.02 0.00 0.00 63.50 61.93 2biu n PRO 58 Cb 0.46 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.48 2biu n PRO 58 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2biu n SER 59 N 0.60 -5.22 0.00 2.55 7.64 -1.26 -4.82 113.62 113.12 2biu n SER 59 Ca 0.04 0.11 0.00 0.00 1.01 0.00 0.00 58.87 60.03 2biu n SER 59 Cb 0.37 -4.29 0.00 0.00 -1.01 0.00 0.00 64.21 59.28 2biu n SER 59 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2biu n PHE 60 N -3.59 -0.00 -3.61 1.43 7.35 -0.63 -4.73 117.46 113.68 2biu n PHE 60 Ca -0.20 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.43 2biu n PHE 60 Cb 0.64 0.03 -0.02 0.00 0.35 0.00 0.00 39.48 40.49 2biu n PHE 60 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2biu s MET 61 N -0.07 0.89 -0.17 -4.13 0.23 -0.93 -1.20 119.30 113.93 2biu s MET 61 Ca 0.00 -0.42 0.00 0.00 -1.03 0.00 0.00 55.69 54.25 2biu s MET 61 Cb 0.00 0.35 0.00 0.00 -1.53 0.00 0.00 34.83 33.66 2biu s MET 61 CO 0.00 -0.40 -0.16 0.00 -2.03 0.00 0.00 175.02 172.43 2biu s GLN 63 N 1.00 2.68 0.09 0.00 0.74 0.69 -0.85 119.66 124.00 2biu s GLN 63 Ca -0.02 -0.62 -0.00 0.00 0.05 0.00 0.00 55.36 54.77 2biu s GLN 63 Cb -0.15 -2.50 0.00 0.00 1.10 0.00 0.00 33.01 31.46 2biu s GLN 63 CO -0.04 0.62 0.12 0.00 -0.55 0.00 0.00 175.29 175.45 2biu n ALA 64 N 2.32 -0.08 0.00 1.58 0.00 -0.13 -2.17 120.51 122.03 2biu n ALA 64 Ca -0.18 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 52.86 2biu n ALA 64 Cb 0.53 0.32 0.00 0.00 0.00 0.00 0.00 19.45 20.30 2biu n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2biu n GLY 65 N -0.14 0.44 3.50 0.00 0.00 -1.24 -1.26 105.19 106.48 2biu n GLY 65 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2biu n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2biu s ASP 66 N -2.20 6.86 0.00 1.61 -1.08 -1.26 -4.01 116.67 116.60 2biu s ASP 66 Ca 0.00 -2.50 0.29 0.00 -0.52 0.00 0.00 52.55 49.82 2biu s ASP 66 Cb 0.00 -2.46 1.27 0.00 -1.46 0.00 0.00 42.92 40.26 2biu s ASP 66 CO 0.00 -1.00 1.87 2.22 0.52 0.00 0.00 175.17 178.78 2biu n PHE 67 N 6.87 0.00 -0.13 -5.34 1.16 -1.26 -1.75 117.46 117.01 2biu n PHE 67 Ca 0.37 0.00 -0.21 0.00 -1.87 0.00 0.00 57.45 55.74 2biu n PHE 67 Cb 0.46 -0.05 -0.12 0.00 -1.61 0.00 0.00 39.48 38.16 2biu n PHE 67 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 2biu n THR 68 N -0.42 1.51 0.10 1.97 -2.24 -1.26 -4.78 114.28 109.15 2biu n THR 68 Ca 0.19 -0.53 0.01 0.00 -2.27 0.00 0.00 64.05 61.45 2biu n THR 68 Cb 0.28 -1.54 -0.02 0.00 -2.10 0.00 0.00 70.33 66.95 2biu n THR 68 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2biu n ASN 69 N -3.50 1.31 -2.10 3.42 3.02 -1.25 -4.96 115.26 111.20 2biu n ASN 69 Ca -0.47 -0.41 -0.19 0.00 -0.03 0.00 0.00 54.58 53.48 2biu n ASN 69 Cb 0.97 1.04 -0.04 0.00 -0.61 0.00 0.00 39.78 41.14 2biu n ASN 69 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2biu n HIS 70 N -1.22 -0.73 -1.28 3.10 8.25 -0.72 -4.77 115.22 117.85 2biu n HIS 70 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2biu n HIS 70 Cb 0.06 -3.57 0.00 0.00 1.12 0.00 0.00 29.99 27.60 2biu n HIS 70 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2biu n ASN 71 N -1.69 0.00 0.00 0.41 0.23 -1.26 -4.85 115.26 108.10 2biu n ASN 71 Ca -0.21 -1.00 0.00 0.00 -0.53 0.00 0.00 54.58 52.84 2biu n ASN 71 Cb 0.66 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.36 2biu n ASN 71 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2biu n GLY 72 N 0.00 0.82 0.01 4.83 0.00 -1.26 -4.95 105.19 104.64 2biu n GLY 72 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2biu n GLY 72 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2biu n THR 73 N -1.52 0.05 -2.07 2.61 -2.24 -1.26 -5.01 114.28 104.84 2biu n THR 73 Ca 0.00 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2biu n THR 73 Cb 0.00 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 2biu n THR 73 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2biu n GLY 74 N 1.46 5.21 0.00 3.38 0.00 -1.26 -5.01 105.19 108.98 2biu n GLY 74 Ca 0.04 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.22 2biu n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2biu n GLY 75 N 5.00 -0.25 3.45 -0.02 0.00 -1.26 -4.77 105.19 107.34 2biu n GLY 75 Ca 0.00 -1.71 -0.12 0.00 0.00 0.00 0.00 46.02 44.19 2biu n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2biu s LYS 76 N -2.48 1.14 0.49 1.61 -2.85 -1.26 -4.76 119.74 111.63 2biu s LYS 76 Ca 0.00 -0.35 0.05 0.00 -1.00 0.00 0.00 55.97 54.68 2biu s LYS 76 Cb 0.00 0.53 0.03 0.00 -2.06 0.00 0.00 37.83 36.32 2biu s LYS 76 CO 0.00 -0.49 0.67 -1.54 0.10 0.00 0.00 175.35 174.10 2biu s SER 77 N -2.50 5.45 0.31 0.03 1.04 -0.42 -3.81 113.70 113.81 2biu s SER 77 Ca 0.01 -0.27 0.25 0.00 0.48 0.00 0.00 55.95 56.42 2biu s SER 77 Cb -0.01 -0.69 1.08 0.00 0.10 0.00 0.00 66.02 66.50 2biu s SER 77 CO -0.10 -0.96 1.76 0.16 0.98 0.00 0.00 173.24 175.08 2biu h ILE 78 N 0.37 0.00 0.00 -1.02 3.07 -1.87 -3.14 117.51 114.92 2biu h ILE 78 Ca -0.40 -0.26 -0.06 0.00 1.55 0.00 0.00 64.86 65.69 2biu h ILE 78 Cb 1.29 1.02 -0.01 0.00 -0.27 0.00 0.00 36.82 38.85 2biu h ILE 78 CO 0.48 0.00 -1.29 -1.22 -1.05 0.00 0.00 178.15 175.07 2biu n TYR 79 N -2.39 0.82 -2.33 0.16 4.01 -1.26 -5.07 117.16 111.10 2biu n TYR 79 Ca 0.02 0.25 0.00 0.00 -0.16 0.00 0.00 57.90 58.01 2biu n TYR 79 Cb 0.23 -0.94 0.00 0.00 -0.31 0.00 0.00 39.34 38.32 2biu n TYR 79 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2biu n GLY 80 N 1.27 -0.33 0.26 2.72 0.00 -1.19 -4.99 105.19 102.92 2biu n GLY 80 Ca -0.04 -1.50 -0.04 0.00 0.00 0.00 0.00 46.02 44.44 2biu n GLY 80 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2biu h SER 81 N 0.00 0.58 -5.06 1.61 4.64 -1.94 -1.11 113.55 112.27 2biu h SER 81 Ca 0.00 -0.17 -0.14 0.00 -0.47 0.00 0.00 61.79 61.01 2biu h SER 81 Cb 0.00 -0.16 -0.19 0.00 -0.31 0.00 0.00 62.40 61.75 2biu h SER 81 CO 0.00 0.76 -0.55 -0.13 -0.87 0.00 0.00 176.83 176.04 2biu s ARG 82 N -4.67 0.53 0.05 4.77 0.52 -1.26 -3.78 118.95 115.11 2biu s ARG 82 Ca -0.08 -0.68 0.00 0.00 -0.52 0.00 0.00 55.73 54.45 2biu s ARG 82 Cb 0.14 0.21 -0.04 0.00 0.52 0.00 0.00 34.95 35.78 2biu s ARG 82 CO 0.80 -0.12 -0.04 -0.59 0.02 0.00 0.00 175.30 175.36 2biu s PHE 83 N -2.24 0.57 0.84 -0.53 -0.71 0.06 -4.94 117.98 111.04 2biu s PHE 83 Ca -0.08 -0.89 -0.11 0.00 -1.04 0.00 0.00 56.93 54.80 2biu s PHE 83 Cb -0.03 -0.38 0.10 0.00 -1.21 0.00 0.00 43.02 41.50 2biu s PHE 83 CO -0.03 -0.27 1.14 -2.14 -1.34 0.00 0.00 175.22 172.58 2biu s PRO 84 N -3.28 1.54 -0.13 1.99 0.02 -1.26 -2.36 135.00 131.52 2biu s PRO 84 Ca 0.03 1.49 -0.29 0.00 0.02 0.00 0.00 61.00 62.24 2biu s PRO 84 Cb 0.03 -1.79 -0.05 0.00 0.02 0.00 0.00 34.50 32.70 2biu s PRO 84 CO -0.06 -2.23 1.84 -0.51 -0.33 0.00 0.00 177.00 175.70 2biu s ASP 85 N -2.75 6.24 -0.01 2.53 1.01 -1.26 -4.82 116.67 117.61 2biu s ASP 85 Ca 0.67 2.04 -0.25 0.00 0.71 0.00 0.00 52.55 55.71 2biu s ASP 85 Cb -0.22 -2.53 -0.19 0.00 1.01 0.00 0.00 42.92 40.99 2biu s ASP 85 CO 0.55 -1.31 1.27 -0.08 0.21 0.00 0.00 175.17 175.82 2biu h GLU 86 N 11.44 -0.07 -2.05 8.23 4.81 -2.00 -3.48 114.58 131.47 2biu h GLU 86 Ca -0.40 0.00 0.23 0.00 -0.13 0.00 0.00 59.36 59.06 2biu h GLU 86 Cb 1.20 0.02 -0.09 0.00 0.63 0.00 0.00 28.75 30.50 2biu h GLU 86 CO 0.97 0.36 0.62 0.54 -0.73 0.00 0.00 179.01 180.76 2biu s ASN 87 N -5.56 -0.12 -0.31 1.04 2.20 -1.26 -5.05 114.94 105.89 2biu s ASN 87 Ca -0.15 -0.33 0.07 0.00 -0.94 0.00 0.00 52.86 51.51 2biu s ASN 87 Cb 0.02 0.37 0.46 0.00 -2.00 0.00 0.00 41.25 40.10 2biu s ASN 87 CO 0.64 -0.70 1.33 0.49 -2.94 0.00 0.00 177.10 175.93 2biu n PHE 88 N -0.51 1.79 -0.05 1.54 3.72 -1.26 -4.66 117.46 118.03 2biu n PHE 88 Ca -0.06 -2.00 -0.12 0.00 -0.05 0.00 0.00 57.45 55.22 2biu n PHE 88 Cb 0.61 -0.45 -0.06 0.00 -0.94 0.00 0.00 39.48 38.64 2biu n PHE 88 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 2biu h THR 89 N 1.54 1.26 -3.80 4.37 2.02 -1.96 -3.43 112.91 112.91 2biu h THR 89 Ca 0.27 -0.86 -0.49 0.00 0.77 0.00 0.00 66.41 66.11 2biu h THR 89 Cb 1.37 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 69.31 2biu h THR 89 CO 0.58 0.25 0.39 -0.76 0.37 0.00 0.00 175.52 176.35 2biu s LEU 90 N -9.50 4.55 0.33 2.58 1.43 -1.26 -5.06 118.68 111.75 2biu s LEU 90 Ca -0.14 2.03 0.08 0.00 -1.03 0.00 0.00 54.13 55.07 2biu s LEU 90 Cb 0.06 -3.70 -0.04 0.00 0.03 0.00 0.00 46.19 42.54 2biu s LEU 90 CO 0.72 0.00 0.17 -0.54 0.23 0.00 0.00 176.35 176.93 2biu s LYS 91 N -1.45 2.47 -1.27 1.70 -0.14 -1.26 -4.43 119.74 115.36 2biu s LYS 91 Ca 0.44 -1.46 -0.15 0.00 -1.36 0.00 0.00 55.97 53.44 2biu s LYS 91 Cb -0.27 -2.26 0.13 0.00 -1.68 0.00 0.00 37.83 33.75 2biu s LYS 91 CO 0.33 0.14 1.66 0.72 -0.76 0.00 0.00 175.35 177.44 2biu n HIS 92 N -1.18 4.49 0.39 3.18 8.25 -1.26 -4.80 115.22 124.29 2biu n HIS 92 Ca -0.03 -3.08 0.12 0.00 -0.26 0.00 0.00 57.72 54.47 2biu n HIS 92 Cb 0.61 -2.34 0.24 0.00 1.12 0.00 0.00 29.99 29.62 2biu n HIS 92 CO 0.00 0.00 0.00 -0.39 0.64 0.00 0.00 176.34 176.59 2biu h VAL 93 N 4.78 0.00 0.00 1.59 -1.51 -1.92 -3.15 116.25 116.04 2biu h VAL 93 Ca 0.39 -0.76 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 2biu h VAL 93 Cb 0.82 1.68 0.00 0.00 -2.13 0.00 0.00 31.29 31.66 2biu h VAL 93 CO 1.42 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 178.37 2biu n GLY 94 N 1.21 -1.47 3.72 5.19 0.00 -1.26 -4.66 105.19 107.90 2biu n GLY 94 Ca 0.04 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 2biu n GLY 94 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2biu n PRO 95 N -0.09 2.25 0.00 1.61 -0.02 -1.24 -3.05 135.00 134.46 2biu n PRO 95 Ca 0.00 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2biu n PRO 95 Cb 0.00 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.07 2biu n PRO 95 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2biu n GLY 96 N 0.69 0.40 3.73 -1.23 0.00 0.26 -4.95 105.19 104.09 2biu n GLY 96 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2biu n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2biu s VAL 97 N -2.11 2.42 -0.22 1.61 1.01 -1.17 -0.92 120.40 121.02 2biu s VAL 97 Ca 0.00 0.33 -0.08 0.00 0.00 0.00 0.00 61.98 62.23 2biu s VAL 97 Cb 0.00 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 2biu s VAL 97 CO 0.00 0.04 0.08 -0.22 0.00 0.00 0.00 175.10 175.00 2biu s LEU 98 N 0.30 3.74 0.05 3.92 2.96 -0.07 -0.82 118.68 128.76 2biu s LEU 98 Ca 0.66 -0.02 -0.07 0.00 -0.22 0.00 0.00 54.13 54.48 2biu s LEU 98 Cb -0.45 -1.98 -0.00 0.00 0.50 0.00 0.00 46.19 44.26 2biu s LEU 98 CO 0.39 0.08 0.15 -0.55 -1.32 0.00 0.00 176.35 175.10 2biu s SER 99 N 0.94 0.12 -0.07 3.68 0.15 -0.51 -1.63 113.70 116.38 2biu s SER 99 Ca 0.04 -0.50 -0.27 0.00 0.70 0.00 0.00 55.95 55.92 2biu s SER 99 Cb -0.14 0.27 -0.03 0.00 -1.71 0.00 0.00 66.02 64.42 2biu s SER 99 CO 0.03 -0.57 0.86 -0.04 1.20 0.00 0.00 173.24 174.72 2biu s MET 100 N -2.86 4.44 0.66 5.44 -1.94 -0.04 -0.76 119.30 124.24 2biu s MET 100 Ca -0.03 1.15 -0.13 0.00 -1.71 0.00 0.00 55.69 54.98 2biu s MET 100 Cb 0.00 -3.49 -0.01 0.00 2.01 0.00 0.00 34.83 33.34 2biu s MET 100 CO -0.06 -0.11 1.06 0.00 -0.01 0.00 0.00 175.02 175.90 2biu s ALA 101 N 1.34 2.72 0.19 3.03 0.00 -0.40 -4.26 121.76 124.38 2biu s ALA 101 Ca 0.44 0.18 -0.06 0.00 0.00 0.00 0.00 51.96 52.53 2biu s ALA 101 Cb -0.19 -3.19 0.02 0.00 0.00 0.00 0.00 23.12 19.77 2biu s ALA 101 CO 0.20 -1.06 0.35 0.27 0.00 0.00 0.00 175.76 175.52 2biu n ASN 102 N -2.73 -1.01 -2.19 0.00 2.04 -1.26 -4.56 115.26 105.54 2biu n ASN 102 Ca 0.08 -1.82 -0.19 0.00 -0.44 0.00 0.00 54.58 52.20 2biu n ASN 102 Cb 0.53 1.72 0.03 0.00 -2.53 0.00 0.00 39.78 39.53 2biu n ASN 102 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2biu n ALA 103 N -1.82 4.52 0.00 -2.53 0.00 -1.26 -5.08 120.51 114.34 2biu n ALA 103 Ca -0.08 -3.58 0.00 0.00 0.00 0.00 0.00 53.44 49.78 2biu n ALA 103 Cb 0.29 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.30 2biu n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2biu n GLY 104 N -0.68 -1.59 3.66 0.00 0.00 -1.26 -4.94 105.19 100.37 2biu n GLY 104 Ca 0.36 -2.23 -0.45 0.00 0.00 0.00 0.00 46.02 43.71 2biu n GLY 104 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2biu n PRO 105 N -0.47 1.91 -3.56 1.61 -0.02 -1.26 -3.29 135.00 129.91 2biu n PRO 105 Ca 0.00 0.68 -0.21 0.00 -2.02 0.00 0.00 63.50 61.95 2biu n PRO 105 Cb 0.00 -2.30 0.07 0.00 -0.02 0.00 0.00 33.50 31.25 2biu n PRO 105 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2biu n ASN 106 N 2.04 -3.44 -1.22 2.55 3.02 -1.26 -4.93 115.26 112.03 2biu n ASN 106 Ca 0.12 -0.64 0.04 0.00 -0.03 0.00 0.00 54.58 54.07 2biu n ASN 106 Cb 0.31 -4.85 0.09 0.00 -0.61 0.00 0.00 39.78 34.72 2biu n ASN 106 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2biu n THR 107 N -4.46 0.82 -1.91 3.41 -2.24 -1.21 -4.55 114.28 104.14 2biu n THR 107 Ca -0.18 -1.86 -0.41 0.00 -2.27 0.00 0.00 64.05 59.33 2biu n THR 107 Cb 0.63 0.55 -0.02 0.00 -2.10 0.00 0.00 70.33 69.39 2biu n THR 107 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2biu s ASN 108 N -2.49 6.52 0.00 3.42 0.01 -1.00 -4.30 114.94 117.11 2biu s ASN 108 Ca 0.35 2.82 0.00 0.00 -0.71 0.00 0.00 52.86 55.32 2biu s ASN 108 Cb 0.38 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 39.41 2biu s ASN 108 CO -0.13 -0.78 0.00 0.61 -1.51 0.00 0.00 177.10 175.29 2biu n GLY 109 N 1.85 1.36 0.00 0.66 0.00 -1.26 -0.76 105.19 107.04 2biu n GLY 109 Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2biu n GLY 109 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2biu n SER 110 N 0.00 0.24 -4.75 1.61 3.41 -1.25 -3.76 113.62 109.13 2biu n SER 110 Ca 0.00 -0.59 -0.40 0.00 -0.26 0.00 0.00 58.87 57.62 2biu n SER 110 Cb 0.00 0.33 -0.05 0.00 -0.26 0.00 0.00 64.21 64.23 2biu n SER 110 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2biu s GLN 111 N -0.33 4.74 0.15 4.33 -0.21 -1.26 -4.49 119.66 122.59 2biu s GLN 111 Ca 0.00 1.60 -0.04 0.00 0.02 0.00 0.00 55.36 56.94 2biu s GLN 111 Cb 0.00 -3.27 -0.03 0.00 1.00 0.00 0.00 33.01 30.71 2biu s GLN 111 CO 0.00 0.32 0.14 -0.59 -2.12 0.00 0.00 175.29 173.04 2biu s PHE 112 N -0.82 0.74 0.01 0.91 -0.12 -0.39 -1.28 117.98 117.04 2biu s PHE 112 Ca 0.44 -1.10 -0.03 0.00 -0.05 0.00 0.00 56.93 56.20 2biu s PHE 112 Cb -0.28 -0.35 -0.01 0.00 -0.63 0.00 0.00 43.02 41.76 2biu s PHE 112 CO 0.34 -0.60 0.04 -0.59 -0.05 0.00 0.00 175.22 174.35 2biu s PHE 113 N -4.04 0.18 -0.19 3.49 -0.71 0.06 -0.96 117.98 115.81 2biu s PHE 113 Ca 0.24 -0.38 -0.03 0.00 -1.04 0.00 0.00 56.93 55.71 2biu s PHE 113 Cb 0.06 -0.14 -0.01 0.00 -1.21 0.00 0.00 43.02 41.72 2biu s PHE 113 CO 0.03 -0.23 -0.05 0.42 -1.34 0.00 0.00 175.22 174.04 2biu s ILE 114 N -1.47 3.42 0.44 -4.49 1.01 -0.03 -1.42 121.20 118.67 2biu s ILE 114 Ca -0.15 -0.49 -0.22 0.00 0.00 0.00 0.00 60.65 59.79 2biu s ILE 114 Cb -0.09 -2.53 -0.09 0.00 0.01 0.00 0.00 42.46 39.76 2biu s ILE 114 CO -0.00 0.45 1.04 0.00 0.00 0.00 0.00 174.94 176.43 2biu n THR 116 N -0.54 0.00 -4.15 0.00 -2.24 -0.34 -0.58 114.28 106.43 2biu n THR 116 Ca 0.07 -0.50 -0.12 0.00 -2.27 0.00 0.00 64.05 61.23 2biu n THR 116 Cb 0.51 1.13 -0.08 0.00 -2.10 0.00 0.00 70.33 69.79 2biu n THR 116 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 2biu s ILE 117 N -0.55 0.00 -0.04 2.28 -4.36 -1.23 -4.51 121.20 112.79 2biu s ILE 117 Ca 0.07 -1.83 -0.30 0.00 -0.26 0.00 0.00 60.65 58.33 2biu s ILE 117 Cb 0.05 -2.44 -0.06 0.00 1.25 0.00 0.00 42.46 41.27 2biu s ILE 117 CO 0.08 0.00 1.59 -0.75 0.24 0.00 0.00 174.94 176.11 2biu s LYS 118 N -3.98 4.20 -0.74 0.37 2.20 -1.26 -3.67 119.74 116.87 2biu s LYS 118 Ca 0.35 2.14 0.03 0.00 -0.36 0.00 0.00 55.97 58.13 2biu s LYS 118 Cb 0.04 -3.87 0.30 0.00 -1.51 0.00 0.00 37.83 32.79 2biu s LYS 118 CO 0.13 -0.79 1.08 0.25 -0.36 0.00 0.00 175.35 175.67 2biu n THR 119 N 5.27 3.58 0.27 3.43 -2.24 -1.19 -4.91 114.28 118.49 2biu n THR 119 Ca 0.16 -5.57 0.13 0.00 -2.27 0.00 0.00 64.05 56.51 2biu n THR 119 Cb 0.43 -1.77 0.77 0.00 -2.10 0.00 0.00 70.33 67.66 2biu n THR 119 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2biu h ASP 120 N 3.92 0.00 0.46 3.42 -0.00 -1.93 -1.93 116.42 120.37 2biu h ASP 120 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.25 2biu h ASP 120 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.88 2biu h ASP 120 CO 0.95 0.09 0.00 -2.67 -0.00 0.00 0.00 179.24 177.62 2biu n TRP 121 N -3.67 0.41 1.02 4.15 2.14 -1.26 -1.67 117.44 118.55 2biu n TRP 121 Ca -0.02 0.17 0.12 0.00 2.07 0.00 0.00 57.50 59.84 2biu n TRP 121 Cb 0.21 -0.78 0.20 0.00 -0.81 0.00 0.00 31.31 30.13 2biu n TRP 121 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 2biu n LEU 122 N -1.88 0.63 -4.68 5.67 4.77 -0.72 -4.85 117.00 115.93 2biu n LEU 122 Ca 0.02 -0.10 -0.45 0.00 -0.03 0.00 0.00 56.01 55.45 2biu n LEU 122 Cb 0.15 -0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 2biu n LEU 122 CO 0.14 0.15 1.22 0.47 -1.33 0.00 0.00 177.39 178.03 2biu n ASP 123 N -1.42 3.29 0.00 -1.43 8.00 -0.67 -1.19 116.55 123.12 2biu n ASP 123 Ca 0.06 1.09 0.00 0.00 0.71 0.00 0.00 54.79 56.65 2biu n ASP 123 Cb 0.34 -1.47 0.00 0.00 -0.02 0.00 0.00 41.12 39.97 2biu n ASP 123 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2biu n GLY 124 N 3.35 0.97 0.01 0.44 0.00 -1.26 -4.81 105.19 103.89 2biu n GLY 124 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 2biu n GLY 124 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2biu n LYS 125 N -2.00 3.32 -4.98 1.61 5.02 -0.33 -5.04 118.16 115.76 2biu n LYS 125 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 2biu n LYS 125 Cb 0.00 -1.03 -0.16 0.00 -0.02 0.00 0.00 35.03 33.81 2biu n LYS 125 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2biu s HIS 126 N -2.03 1.96 -0.40 2.13 3.76 -0.70 -4.85 115.29 115.14 2biu s HIS 126 Ca -0.01 -0.58 -0.29 0.00 -0.15 0.00 0.00 55.06 54.04 2biu s HIS 126 Cb 0.00 -1.30 0.02 0.00 1.11 0.00 0.00 32.58 32.41 2biu s HIS 126 CO 0.05 -0.19 1.14 0.08 -0.85 0.00 0.00 174.74 174.98 2biu s VAL 127 N -0.01 4.29 0.11 -0.90 1.01 -1.26 -4.80 120.40 118.84 2biu s VAL 127 Ca -0.04 1.40 -0.30 0.00 0.00 0.00 0.00 61.98 63.04 2biu s VAL 127 Cb -0.12 -4.48 -0.06 0.00 0.00 0.00 0.00 36.38 31.72 2biu s VAL 127 CO 0.03 -0.77 0.99 -0.69 0.00 0.00 0.00 175.10 174.66 2biu s VAL 128 N 4.22 4.43 -0.00 2.92 1.01 -1.26 -0.87 120.40 130.85 2biu s VAL 128 Ca 0.48 2.00 0.00 0.00 0.00 0.00 0.00 61.98 64.46 2biu s VAL 128 Cb -0.10 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.00 2biu s VAL 128 CO 0.25 0.30 0.54 2.22 0.00 0.00 0.00 175.10 178.41 2biu n PHE 129 N 2.84 0.00 -3.46 5.22 -1.74 -0.64 -4.65 117.46 115.02 2biu n PHE 129 Ca 0.03 -0.04 0.00 0.00 -0.56 0.00 0.00 57.45 56.88 2biu n PHE 129 Cb 0.49 -0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.48 2biu n PHE 129 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2biu n GLY 130 N -0.04 -0.94 3.67 4.97 0.00 -1.13 -0.48 105.19 111.23 2biu n GLY 130 Ca 0.00 -0.92 -0.09 0.00 0.00 0.00 0.00 46.02 45.01 2biu n GLY 130 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2biu s HIS 131 N -3.00 -0.32 -0.15 1.61 -3.43 -0.86 -0.89 115.29 108.25 2biu s HIS 131 Ca 0.00 -0.01 -0.29 0.00 -0.80 0.00 0.00 55.06 53.96 2biu s HIS 131 Cb 0.00 0.64 -0.01 0.00 -1.43 0.00 0.00 32.58 31.78 2biu s HIS 131 CO 0.00 -1.01 1.14 0.08 -2.00 0.00 0.00 174.74 172.95 2biu s VAL 132 N -3.74 4.48 -0.07 -5.38 1.01 -0.09 -1.14 120.40 115.46 2biu s VAL 132 Ca 0.07 1.78 -0.05 0.00 0.00 0.00 0.00 61.98 63.79 2biu s VAL 132 Cb -0.03 -4.15 -0.27 0.00 0.00 0.00 0.00 36.38 31.93 2biu s VAL 132 CO -0.02 -0.10 0.58 0.40 0.00 0.00 0.00 175.10 175.96 2biu h ILE 133 N 5.32 0.84 -2.42 2.22 1.08 -1.09 -3.48 117.51 119.98 2biu h ILE 133 Ca -0.26 -2.52 -0.08 0.00 -0.39 0.00 0.00 64.86 61.60 2biu h ILE 133 Cb 1.11 2.61 -0.21 0.00 -3.07 0.00 0.00 36.82 37.26 2biu h ILE 133 CO 0.94 0.82 -0.04 -0.70 -0.69 0.00 0.00 178.15 178.47 2biu s GLU 134 N -2.58 0.74 0.00 2.37 2.12 -1.17 -4.97 118.70 115.21 2biu s GLU 134 Ca -0.16 0.49 0.00 0.00 0.36 0.00 0.00 54.97 55.66 2biu s GLU 134 Cb 0.06 0.35 0.00 0.00 0.26 0.00 0.00 34.13 34.81 2biu s GLU 134 CO 0.82 -0.15 0.00 0.41 -0.54 0.00 0.00 175.26 175.79 2biu n GLY 135 N 2.10 1.11 0.32 -1.50 0.00 -1.26 -0.67 105.19 105.30 2biu n GLY 135 Ca -0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.00 2biu n GLY 135 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2biu h MET 136 N 0.00 0.00 -0.97 1.61 2.86 -1.93 -0.16 114.93 116.34 2biu h MET 136 Ca 0.00 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.66 2biu h MET 136 Cb 0.00 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.61 2biu h MET 136 CO 0.00 0.00 0.64 0.38 1.06 0.00 0.00 176.91 178.99 2biu h ASP 137 N 0.00 1.10 -0.38 1.22 2.03 -1.95 0.59 116.42 119.03 2biu h ASP 137 Ca 0.11 -0.02 -0.08 0.00 -0.73 0.00 0.00 57.03 56.31 2biu h ASP 137 Cb 0.46 -0.27 -0.01 0.00 -0.83 0.00 0.00 39.33 38.68 2biu h ASP 137 CO -0.00 0.78 -0.07 0.58 -1.03 0.00 0.00 179.24 179.50 2biu h VAL 138 N 1.29 1.27 -0.82 4.15 2.07 -1.36 -1.91 116.25 120.95 2biu h VAL 138 Ca 0.37 -1.13 0.03 0.00 0.82 0.00 0.00 66.70 66.79 2biu h VAL 138 Cb -0.10 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 2biu h VAL 138 CO -0.09 0.38 0.53 0.58 0.02 0.00 0.00 177.57 178.98 2biu h VAL 139 N 0.52 1.15 -0.23 2.57 2.07 -0.81 -0.88 116.25 120.65 2biu h VAL 139 Ca 0.10 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 2biu h VAL 139 Cb 0.57 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2biu h VAL 139 CO 0.03 0.19 -0.18 0.11 0.02 0.00 0.00 177.57 177.75 2biu h LYS 140 N 1.04 0.39 0.06 1.57 1.79 -0.72 0.41 116.57 121.10 2biu h LYS 140 Ca 0.32 -0.12 -0.00 0.00 -2.18 0.00 0.00 60.65 58.67 2biu h LYS 140 Cb -0.02 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.59 2biu h LYS 140 CO -0.10 0.56 -0.03 0.87 -1.08 0.00 0.00 179.45 179.67 2biu h LYS 141 N 0.36 -0.08 -0.32 3.15 1.79 -0.75 -1.25 116.57 119.47 2biu h LYS 141 Ca 0.06 0.01 0.07 0.00 -2.18 0.00 0.00 60.65 58.61 2biu h LYS 141 Cb 0.52 0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 31.12 2biu h LYS 141 CO 0.03 0.17 -0.12 0.82 -1.08 0.00 0.00 179.45 179.27 2biu h ILE 142 N -0.32 0.59 -0.76 1.86 2.04 -0.89 -2.05 117.51 117.98 2biu h ILE 142 Ca -0.01 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.00 2biu h ILE 142 Cb 0.28 0.59 -0.10 0.00 -0.74 0.00 0.00 36.82 36.85 2biu h ILE 142 CO 0.01 0.00 0.30 -0.08 0.00 0.00 0.00 178.15 178.38 2biu h GLU 143 N -0.06 0.42 0.00 2.37 4.81 -0.82 -0.88 114.58 120.42 2biu h GLU 143 Ca 0.16 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2biu h GLU 143 Cb 0.30 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.59 2biu h GLU 143 CO -0.37 0.28 0.00 0.66 -0.73 0.00 0.00 179.01 178.85 2biu h SER 144 N 0.43 0.00 -0.67 1.04 4.64 -0.50 -1.24 113.55 117.26 2biu h SER 144 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 2biu h SER 144 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 2biu h SER 144 CO -0.42 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.03 2biu n PHE 145 N -2.49 0.96 -2.43 4.77 3.72 -0.34 -4.96 117.46 116.69 2biu n PHE 145 Ca -0.00 -0.46 -0.04 0.00 -0.05 0.00 0.00 57.45 56.90 2biu n PHE 145 Cb 0.15 -0.03 0.02 0.00 -0.94 0.00 0.00 39.48 38.68 2biu n PHE 145 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2biu n GLY 146 N 1.52 0.97 3.61 1.37 0.00 -0.47 -0.26 105.19 111.93 2biu n GLY 146 Ca 0.23 -2.00 -0.09 0.00 0.00 0.00 0.00 46.02 44.16 2biu n GLY 146 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2biu s SER 147 N -1.65 -0.11 0.29 1.61 1.04 -0.71 -4.70 113.70 109.47 2biu s SER 147 Ca 0.11 -0.89 0.03 0.00 0.48 0.00 0.00 55.95 55.68 2biu s SER 147 Cb -0.01 0.60 0.62 0.00 0.10 0.00 0.00 66.02 67.33 2biu s SER 147 CO 0.07 -1.16 1.82 0.50 0.98 0.00 0.00 173.24 175.45 2biu h LYS 148 N 2.23 0.89 0.00 4.02 3.64 -1.90 -0.62 116.57 124.84 2biu h LYS 148 Ca -0.25 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 2biu h LYS 148 Cb 1.25 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 2biu h LYS 148 CO 0.34 0.59 0.00 -1.13 -2.27 0.00 0.00 179.45 176.98 2biu n SER 149 N -4.66 0.49 0.00 4.20 3.41 -1.26 -4.91 113.62 110.89 2biu n SER 149 Ca 0.20 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.38 2biu n SER 149 Cb 0.43 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 2biu n SER 149 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2biu n GLY 150 N 0.97 1.65 3.73 5.00 0.00 -0.24 -4.97 105.19 111.33 2biu n GLY 150 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2biu n GLY 150 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2biu s ARG 151 N -0.69 4.28 0.24 1.61 1.81 -1.26 -1.17 118.95 123.78 2biu s ARG 151 Ca 0.00 2.23 -0.16 0.00 -1.72 0.00 0.00 55.73 56.08 2biu s ARG 151 Cb 0.00 -3.16 -0.08 0.00 -0.45 0.00 0.00 34.95 31.25 2biu s ARG 151 CO 0.00 -0.45 0.67 0.95 -0.68 0.00 0.00 175.30 175.80 2biu s THR 152 N 0.56 4.70 -1.10 0.02 -4.23 -1.26 -3.00 115.64 111.34 2biu s THR 152 Ca 0.63 0.99 0.24 0.00 -1.18 0.00 0.00 61.69 62.37 2biu s THR 152 Cb -0.40 -3.72 -0.04 0.00 1.34 0.00 0.00 72.50 69.67 2biu s THR 152 CO 0.36 0.05 1.28 -1.54 -0.54 0.00 0.00 174.62 174.23 2biu n SER 153 N 0.28 0.74 -4.14 3.99 3.41 0.64 -4.87 113.62 113.66 2biu n SER 153 Ca -0.01 -0.56 -0.14 0.00 -0.26 0.00 0.00 58.87 57.91 2biu n SER 153 Cb 0.52 0.45 -0.11 0.00 -0.26 0.00 0.00 64.21 64.82 2biu n SER 153 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2biu s LYS 154 N -2.94 0.76 -0.43 4.33 1.02 -1.26 -5.10 119.74 116.13 2biu s LYS 154 Ca 0.12 -1.06 -0.29 0.00 0.02 0.00 0.00 55.97 54.76 2biu s LYS 154 Cb 0.17 -0.44 0.02 0.00 -0.52 0.00 0.00 37.83 37.06 2biu s LYS 154 CO 0.73 0.07 1.17 0.21 -0.92 0.00 0.00 175.35 176.60 2biu s LYS 155 N -2.53 3.79 -0.38 1.68 2.47 -1.26 -4.85 119.74 118.66 2biu s LYS 155 Ca 0.02 0.76 -0.12 0.00 -1.56 0.00 0.00 55.97 55.06 2biu s LYS 155 Cb -0.04 -3.88 0.02 0.00 -1.46 0.00 0.00 37.83 32.46 2biu s LYS 155 CO -0.00 -1.29 0.24 0.42 0.16 0.00 0.00 175.35 174.88 2biu s ILE 156 N 4.40 4.88 -0.08 5.43 -1.09 -1.26 -1.22 121.20 132.25 2biu s ILE 156 Ca 0.49 -0.70 0.04 0.00 -2.23 0.00 0.00 60.65 58.26 2biu s ILE 156 Cb -0.10 -3.69 -0.00 0.00 -1.58 0.00 0.00 42.46 37.10 2biu s ILE 156 CO 0.28 -0.22 -0.23 -0.69 -1.23 0.00 0.00 174.94 172.85 2biu s VAL 157 N 1.62 1.93 -0.73 2.92 1.01 -0.71 -0.99 120.40 125.45 2biu s VAL 157 Ca 0.04 -0.96 -0.27 0.00 0.00 0.00 0.00 61.98 60.79 2biu s VAL 157 Cb -0.19 -1.67 0.02 0.00 0.00 0.00 0.00 36.38 34.55 2biu s VAL 157 CO 0.08 0.53 1.36 -0.63 0.00 0.00 0.00 175.10 176.44 2biu s ILE 158 N 0.24 3.68 0.10 2.22 1.01 0.66 -0.56 121.20 128.55 2biu s ILE 158 Ca -0.14 0.35 -0.03 0.00 0.00 0.00 0.00 60.65 60.82 2biu s ILE 158 Cb -0.16 -4.80 -0.24 0.00 0.01 0.00 0.00 42.46 37.26 2biu s ILE 158 CO 0.07 -1.75 1.21 0.00 0.00 0.00 0.00 174.94 174.47 2biu h THR 159 N 6.16 1.48 -2.99 2.92 1.03 -1.08 0.32 112.91 120.76 2biu h THR 159 Ca -0.26 -2.88 -0.12 0.00 -0.01 0.00 0.00 66.41 63.14 2biu h THR 159 Cb 1.06 2.77 -0.20 0.00 -1.07 0.00 0.00 68.15 70.71 2biu h THR 159 CO 1.28 0.84 -0.26 -1.81 -0.01 0.00 0.00 175.52 175.57 2biu s ASP 160 N -7.10 -0.21 0.16 0.00 1.01 -1.20 -4.36 116.67 104.97 2biu s ASP 160 Ca -0.04 0.12 -0.22 0.00 0.71 0.00 0.00 52.55 53.12 2biu s ASP 160 Cb 0.08 0.33 0.06 0.00 1.01 0.00 0.00 42.92 44.40 2biu s ASP 160 CO 0.87 -0.45 0.56 0.00 0.21 0.00 0.00 175.17 176.37 2biu n GLY 162 N -0.35 -0.73 3.33 0.00 0.00 -0.99 -4.61 105.19 101.84 2biu n GLY 162 Ca -0.16 -0.88 -0.33 0.00 0.00 0.00 0.00 46.02 44.65 2biu n GLY 162 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2biu s GLN 163 N -0.92 3.34 0.01 1.61 0.74 -1.26 -1.23 119.66 121.95 2biu s GLN 163 Ca 0.00 -0.68 -0.05 0.00 0.05 0.00 0.00 55.36 54.67 2biu s GLN 163 Cb 0.00 -2.73 -0.29 0.00 1.10 0.00 0.00 33.01 31.10 2biu s GLN 163 CO 0.00 0.06 0.90 -0.07 -0.55 0.00 0.00 175.29 175.63 2biu h LEU 164 N 7.21 0.46 0.00 3.68 3.38 -0.95 -3.49 115.31 125.60 2biu h LEU 164 Ca -0.32 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.05 2biu h LEU 164 Cb 1.19 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2biu h LEU 164 CO 0.58 1.49 0.00 -1.54 0.09 0.00 0.00 178.44 179.06