#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a8m n ASN 10 N 0.00 -5.17 -4.80 -1.84 3.02 -1.26 -4.99 115.26 100.22 3a8m n ASN 10 Ca 0.00 0.16 -0.34 0.00 -0.03 0.00 0.00 54.58 54.38 3a8m n ASN 10 Cb 0.00 -3.26 -0.02 0.00 -0.61 0.00 0.00 39.78 35.89 3a8m n ASN 10 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a8m s ALA 11 N -1.79 2.83 0.56 5.41 0.00 -1.26 -5.02 121.76 122.50 3a8m s ALA 11 Ca 0.00 0.57 -0.21 0.00 0.00 0.00 0.00 51.96 52.33 3a8m s ALA 11 Cb 0.00 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 3a8m s ALA 11 CO 0.00 -0.45 1.28 0.00 0.00 0.00 0.00 175.76 176.59 3a8m s ALA 12 N -2.07 2.71 0.60 0.00 0.00 -1.26 -5.00 121.76 116.74 3a8m s ALA 12 Ca 0.67 1.16 -0.17 0.00 0.00 0.00 0.00 51.96 53.62 3a8m s ALA 12 Cb -0.17 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.42 3a8m s ALA 12 CO 0.24 -1.23 1.10 -1.25 0.00 0.00 0.00 175.76 174.62 3a8m s PRO 13 N -3.05 3.15 0.27 0.00 0.04 -1.26 -4.98 135.00 129.18 3a8m s PRO 13 Ca 0.73 1.41 -0.30 0.00 0.04 0.00 0.00 61.00 62.89 3a8m s PRO 13 Cb -0.35 -2.00 -0.11 0.00 0.04 0.00 0.00 34.50 32.08 3a8m s PRO 13 CO 0.40 -0.98 1.54 0.00 0.04 0.00 0.00 177.00 178.01 3a8m s ALA 14 N -2.17 3.71 -0.05 8.56 0.00 -1.26 -5.02 121.76 125.53 3a8m s ALA 14 Ca 0.68 1.48 -0.05 0.00 0.00 0.00 0.00 51.96 54.08 3a8m s ALA 14 Cb -0.20 -3.62 0.01 0.00 0.00 0.00 0.00 23.12 19.32 3a8m s ALA 14 CO 0.34 -0.90 0.14 -0.65 0.00 0.00 0.00 175.76 174.69 3a8m s GLN 15 N -0.41 0.15 0.89 0.00 -0.21 -1.26 -5.15 119.66 113.67 3a8m s GLN 15 Ca 0.62 0.20 -0.10 0.00 0.02 0.00 0.00 55.36 56.10 3a8m s GLN 15 Cb -0.46 0.06 0.13 0.00 1.00 0.00 0.00 33.01 33.74 3a8m s GLN 15 CO 0.46 -0.03 1.13 0.00 -2.12 0.00 0.00 175.29 174.73 3a8m s ALA 16 N 0.14 1.61 0.40 6.09 0.00 -1.26 -4.91 121.76 123.82 3a8m s ALA 16 Ca -0.01 0.50 -0.26 0.00 0.00 0.00 0.00 51.96 52.20 3a8m s ALA 16 Cb -0.02 -3.41 -0.11 0.00 0.00 0.00 0.00 23.12 19.59 3a8m s ALA 16 CO -0.00 -2.56 1.15 -2.30 0.00 0.00 0.00 175.76 172.05 3a8m n PRO 17 N -4.09 1.69 -0.28 0.00 -0.02 -1.26 -4.76 135.00 126.28 3a8m n PRO 17 Ca 0.11 0.60 0.03 0.00 -2.02 0.00 0.00 63.50 62.22 3a8m n PRO 17 Cb 0.52 -2.20 0.24 0.00 -0.02 0.00 0.00 33.50 32.04 3a8m n PRO 17 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3a8m h VAL 18 N 1.93 1.12 -0.81 -1.45 3.04 -1.99 -0.91 116.25 117.18 3a8m h VAL 18 Ca -0.46 -0.36 0.05 0.00 -1.01 0.00 0.00 66.70 64.92 3a8m h VAL 18 Cb 1.31 -0.01 -0.05 0.00 -2.01 0.00 0.00 31.29 30.53 3a8m h VAL 18 CO 0.59 0.19 0.51 -1.28 -1.01 0.00 0.00 177.57 176.57 3a8m h SER 19 N 1.04 0.82 -0.44 3.17 0.87 -1.99 0.93 113.55 117.95 3a8m h SER 19 Ca 0.35 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.84 3a8m h SER 19 Cb 0.08 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 3a8m h SER 19 CO -0.11 0.55 0.01 0.44 -0.53 0.00 0.00 176.83 177.19 3a8m h ASP 20 N 0.96 0.80 -0.27 6.23 3.45 -1.55 -0.61 116.42 125.44 3a8m h ASP 20 Ca 0.34 -0.19 -0.10 0.00 0.43 0.00 0.00 57.03 57.50 3a8m h ASP 20 Cb 0.09 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 38.64 3a8m h ASP 20 CO -0.14 0.86 -0.23 0.03 -1.57 0.00 0.00 179.24 178.19 3a8m h ARG 21 N 0.78 0.63 -0.42 3.56 3.08 -0.58 -0.87 114.38 120.55 3a8m h ARG 21 Ca 0.15 -0.32 -0.04 0.00 0.07 0.00 0.00 59.98 59.85 3a8m h ARG 21 Cb 0.45 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 3a8m h ARG 21 CO 0.02 0.91 0.11 0.00 -1.07 0.00 0.00 179.97 179.94 3a8m h ALA 22 N 0.70 0.56 0.00 0.04 0.00 -0.63 -1.40 119.26 118.53 3a8m h ALA 22 Ca 0.05 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 3a8m h ALA 22 Cb 0.78 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3a8m h ALA 22 CO 0.06 0.23 -0.37 -1.49 0.00 0.00 0.00 179.25 177.68 3a8m h TRP 23 N 0.55 0.00 -0.56 0.00 4.06 -1.14 -1.81 115.95 117.06 3a8m h TRP 23 Ca 0.13 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 61.03 3a8m h TRP 23 Cb 0.30 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.44 3a8m h TRP 23 CO 0.02 0.37 0.14 0.00 -3.56 0.00 0.00 178.44 175.40 3a8m h ALA 24 N 1.63 0.73 -0.28 1.49 0.00 -0.75 0.44 119.26 122.53 3a8m h ALA 24 Ca -0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3a8m h ALA 24 Cb 0.86 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3a8m h ALA 24 CO 0.05 0.43 0.14 1.25 0.00 0.00 0.00 179.25 181.12 3a8m h LEU 25 N 0.79 0.36 -0.03 0.00 5.85 -0.87 0.53 115.31 121.94 3a8m h LEU 25 Ca 0.17 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.82 3a8m h LEU 25 Cb 0.34 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 3a8m h LEU 25 CO 0.00 0.37 -0.25 0.15 -0.34 0.00 0.00 178.44 178.37 3a8m h PHE 26 N 0.32 -0.68 -0.46 1.25 3.57 -1.12 -2.57 116.94 117.26 3a8m h PHE 26 Ca 0.10 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 3a8m h PHE 26 Cb 0.10 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 3a8m h PHE 26 CO -0.02 -0.34 0.08 0.00 -2.23 0.00 0.00 178.31 175.79 3a8m h ARG 27 N -0.37 0.71 -0.74 1.11 3.08 -0.62 0.15 114.38 117.69 3a8m h ARG 27 Ca 0.07 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 3a8m h ARG 27 Cb 0.47 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 3a8m h ARG 27 CO -0.24 0.67 0.31 0.00 -1.07 0.00 0.00 179.97 179.64 3a8m h ALA 28 N 1.41 0.97 0.01 0.04 0.00 -0.77 0.44 119.26 121.35 3a8m h ALA 28 Ca 0.15 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 3a8m h ALA 28 Cb 0.31 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.82 3a8m h ALA 28 CO 0.00 0.58 -0.51 -0.07 0.00 0.00 0.00 179.25 179.25 3a8m h LEU 29 N 1.07 0.43 -0.99 0.00 3.38 -1.11 -3.27 115.31 114.81 3a8m h LEU 29 Ca 0.25 -0.78 -0.01 0.00 0.09 0.00 0.00 57.88 57.43 3a8m h LEU 29 Cb 0.20 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 3a8m h LEU 29 CO -0.02 1.16 0.52 -0.78 0.09 0.00 0.00 178.44 179.41 3a8m h ASP 30 N -0.25 1.08 0.49 -0.43 -0.00 -0.63 -2.07 116.42 114.60 3a8m h ASP 30 Ca -0.07 -0.07 0.00 0.00 -0.00 0.00 0.00 57.03 56.89 3a8m h ASP 30 Cb 1.25 -0.27 0.00 0.00 -0.00 0.00 0.00 39.33 40.30 3a8m h ASP 30 CO 0.10 0.84 0.00 0.61 -0.00 0.00 0.00 179.24 180.79 3a8m n GLY 31 N -1.22 -1.01 0.97 -0.78 0.00 0.14 -1.15 105.19 102.13 3a8m n GLY 31 Ca 0.10 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.21 3a8m n GLY 31 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3a8m n LYS 32 N -1.70 2.38 -1.01 1.61 5.02 -0.82 -4.96 118.16 118.68 3a8m n LYS 32 Ca 0.03 -2.15 -0.01 0.00 -2.02 0.00 0.00 58.31 54.16 3a8m n LYS 32 Cb 0.16 -1.42 -0.00 0.00 -0.02 0.00 0.00 35.03 33.75 3a8m n LYS 32 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a8m n GLY 33 N 1.16 0.46 0.25 0.72 0.00 -0.30 -4.93 105.19 102.56 3a8m n GLY 33 Ca 0.17 -0.59 0.12 0.00 0.00 0.00 0.00 46.02 45.72 3a8m n GLY 33 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a8m n LEU 34 N -0.06 1.17 -4.14 0.99 4.77 -0.99 -4.72 117.00 114.03 3a8m n LEU 34 Ca -0.01 -0.34 -0.34 0.00 -0.03 0.00 0.00 56.01 55.29 3a8m n LEU 34 Cb 0.03 -0.11 -0.14 0.00 -2.33 0.00 0.00 43.42 40.87 3a8m n LEU 34 CO 0.01 0.23 -0.35 -0.69 -1.33 0.00 0.00 177.39 175.26 3a8m s VAL 35 N -2.58 2.83 0.75 4.08 1.01 -1.26 -4.96 120.40 120.27 3a8m s VAL 35 Ca 0.21 -1.59 -0.15 0.00 0.00 0.00 0.00 61.98 60.44 3a8m s VAL 35 Cb 0.19 -2.71 0.02 0.00 0.00 0.00 0.00 36.38 33.87 3a8m s VAL 35 CO 0.57 -0.21 0.93 -2.65 0.00 0.00 0.00 175.10 173.75 3a8m n PRO 36 N 4.56 0.38 -1.65 2.72 -0.02 -1.26 -4.87 135.00 134.86 3a8m n PRO 36 Ca -0.11 0.19 -0.46 0.00 -2.02 0.00 0.00 63.50 61.10 3a8m n PRO 36 Cb 0.43 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 3a8m n PRO 36 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3a8m n ASP 37 N -1.81 2.41 0.00 2.55 9.92 -1.26 -1.56 116.55 126.79 3a8m n ASP 37 Ca 0.12 1.13 0.00 0.00 -0.53 0.00 0.00 54.79 55.52 3a8m n ASP 37 Cb 0.50 -1.37 0.00 0.00 -0.64 0.00 0.00 41.12 39.61 3a8m n ASP 37 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3a8m n GLY 38 N 2.28 0.71 0.18 0.44 0.00 -1.26 -4.92 105.19 102.62 3a8m n GLY 38 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 3a8m n GLY 38 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3a8m h TYR 39 N 0.00 -0.34 0.00 1.61 3.20 -1.62 -0.07 116.97 119.75 3a8m h TYR 39 Ca 0.00 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.76 3a8m h TYR 39 Cb 0.02 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 3a8m h TYR 39 CO 0.01 -0.06 -0.51 -0.39 -1.64 0.00 0.00 178.16 175.58 3a8m h VAL 40 N -0.60 1.09 -0.37 1.81 -1.51 -1.92 -2.11 116.25 112.64 3a8m h VAL 40 Ca -0.04 -1.93 -0.12 0.00 -1.23 0.00 0.00 66.70 63.38 3a8m h VAL 40 Cb 0.44 2.13 -0.01 0.00 -2.13 0.00 0.00 31.29 31.71 3a8m h VAL 40 CO 0.06 0.50 -0.26 -0.33 -1.23 0.00 0.00 177.57 176.31 3a8m h GLU 41 N 0.00 0.76 -0.53 5.19 3.07 -1.94 -0.80 114.58 120.33 3a8m h GLU 41 Ca -0.01 -0.33 -0.03 0.00 -0.50 0.00 0.00 59.36 58.49 3a8m h GLU 41 Cb 1.09 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.95 3a8m h GLU 41 CO 0.07 0.94 0.20 0.78 -1.40 0.00 0.00 179.01 179.60 3a8m h GLY 42 N 0.96 0.86 1.03 -3.84 0.00 -0.58 -1.97 103.07 99.53 3a8m h GLY 42 Ca 0.08 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 46.86 3a8m h GLY 42 CO 0.06 0.45 0.09 1.49 0.00 0.00 0.00 176.54 178.63 3a8m h TRP 43 N 0.72 1.05 -0.89 5.60 4.06 -1.27 -1.09 115.95 124.12 3a8m h TRP 43 Ca 0.17 -0.15 0.04 0.00 2.06 0.00 0.00 58.89 61.01 3a8m h TRP 43 Cb 0.22 -0.29 -0.05 0.00 -1.00 0.00 0.00 29.16 28.04 3a8m h TRP 43 CO 0.01 0.91 0.57 -0.22 -3.56 0.00 0.00 178.44 176.16 3a8m h LYS 44 N 0.89 1.07 -0.32 0.49 3.64 -0.87 0.98 116.57 122.44 3a8m h LYS 44 Ca 0.18 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 3a8m h LYS 44 Cb 0.43 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 3a8m h LYS 44 CO 0.01 0.71 0.09 -0.22 -2.27 0.00 0.00 179.45 177.77 3a8m h LYS 45 N 1.10 0.51 -0.32 1.90 3.64 -1.03 -0.38 116.57 121.99 3a8m h LYS 45 Ca 0.36 -0.12 0.05 0.00 -1.27 0.00 0.00 60.65 59.67 3a8m h LYS 45 Cb 0.03 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 3a8m h LYS 45 CO -0.13 0.56 0.05 1.15 -2.27 0.00 0.00 179.45 178.82 3a8m h THR 46 N 0.36 0.83 -0.64 1.00 2.02 -0.57 0.19 112.91 116.10 3a8m h THR 46 Ca 0.10 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 67.19 3a8m h THR 46 Cb 0.27 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 3a8m h THR 46 CO -0.00 0.03 0.27 -0.26 0.37 0.00 0.00 175.52 175.93 3a8m h PHE 47 N 0.16 0.93 0.12 3.16 0.04 -0.61 -1.20 116.94 119.54 3a8m h PHE 47 Ca 0.15 -0.05 -0.32 0.00 2.80 0.00 0.00 57.97 60.56 3a8m h PHE 47 Cb 0.17 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 3a8m h PHE 47 CO -0.19 0.70 -1.61 0.93 -0.60 0.00 0.00 178.31 177.55 3a8m h GLU 48 N 0.91 0.26 0.00 1.51 5.08 -0.72 -3.40 114.58 118.22 3a8m h GLU 48 Ca 0.22 -0.44 -0.05 0.00 -1.00 0.00 0.00 59.36 58.09 3a8m h GLU 48 Cb 0.15 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3a8m h GLU 48 CO -0.02 1.11 -1.29 0.39 -1.00 0.00 0.00 179.01 178.20 3a8m n GLU 49 N -3.45 1.78 -0.14 2.33 1.02 0.63 -4.83 120.64 117.98 3a8m n GLU 49 Ca -0.19 -0.02 -0.29 0.00 -0.02 0.00 0.00 57.16 56.64 3a8m n GLU 49 Cb 1.05 -1.12 -0.10 0.00 -0.02 0.00 0.00 31.44 31.25 3a8m n GLU 49 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3a8m n ASP 50 N -1.95 1.91 -4.65 1.62 8.00 -0.55 -4.86 116.55 116.06 3a8m n ASP 50 Ca -0.05 0.31 -0.43 0.00 0.71 0.00 0.00 54.79 55.34 3a8m n ASP 50 Cb 0.41 -0.78 -0.03 0.00 -0.02 0.00 0.00 41.12 40.71 3a8m n ASP 50 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3a8m s PHE 51 N -2.50 2.21 -0.19 1.24 0.08 -0.61 -4.95 117.98 113.26 3a8m s PHE 51 Ca -0.38 0.48 -0.25 0.00 0.12 0.00 0.00 56.93 56.91 3a8m s PHE 51 Cb 0.14 -3.85 0.07 0.00 -0.57 0.00 0.00 43.02 38.81 3a8m s PHE 51 CO 0.48 -3.09 0.67 0.45 -0.10 0.00 0.00 175.22 173.63 3a8m s SER 52 N 3.33 -0.68 0.08 1.36 0.15 -1.11 -4.46 113.70 112.37 3a8m s SER 52 Ca 0.69 1.16 0.16 0.00 0.70 0.00 0.00 55.95 58.65 3a8m s SER 52 Cb -0.28 1.13 0.67 0.00 -1.71 0.00 0.00 66.02 65.83 3a8m s SER 52 CO 0.26 -0.34 1.49 -0.81 1.20 0.00 0.00 173.24 175.04 3a8m n PRO 53 N 2.20 0.05 0.25 5.44 -0.04 -1.21 -1.82 135.00 139.87 3a8m n PRO 53 Ca -0.15 0.33 0.10 0.00 -0.04 0.00 0.00 63.50 63.74 3a8m n PRO 53 Cb 0.56 -1.61 0.67 0.00 -0.04 0.00 0.00 33.50 33.07 3a8m n PRO 53 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3a8m h ARG 54 N 0.00 0.00 0.02 0.54 2.47 -1.91 -0.65 114.38 114.85 3a8m h ARG 54 Ca 0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3a8m h ARG 54 Cb 0.24 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.56 3a8m h ARG 54 CO 0.00 0.11 -0.01 0.00 0.56 0.00 0.00 179.97 180.63 3a8m h ARG 55 N 0.00 -0.03 -0.88 0.04 3.08 -1.56 -1.67 114.38 113.36 3a8m h ARG 55 Ca -0.00 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.11 3a8m h ARG 55 Cb 0.24 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.24 3a8m h ARG 55 CO 0.01 0.40 0.57 0.78 -1.07 0.00 0.00 179.97 180.67 3a8m h GLY 56 N -0.47 1.27 1.02 0.04 0.00 -0.79 -1.83 103.07 102.31 3a8m h GLY 56 Ca -0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 3a8m h GLY 56 CO 0.01 0.32 0.56 0.00 0.00 0.00 0.00 176.54 177.42 3a8m h ALA 57 N 1.51 1.17 -0.69 3.60 0.00 -1.04 -0.40 119.26 123.42 3a8m h ALA 57 Ca 0.37 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3a8m h ALA 57 Cb 0.15 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3a8m h ALA 57 CO -0.13 0.63 0.35 1.49 0.00 0.00 0.00 179.25 181.59 3a8m h GLU 58 N 1.27 0.98 -0.55 0.00 4.81 -0.56 -0.69 114.58 119.84 3a8m h GLU 58 Ca 0.33 -0.13 -0.06 0.00 -0.13 0.00 0.00 59.36 59.36 3a8m h GLU 58 Cb -0.05 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.12 3a8m h GLU 58 CO -0.06 0.76 0.10 -0.07 -0.73 0.00 0.00 179.01 179.00 3a8m h LEU 59 N 0.95 0.87 -0.16 1.64 3.38 -0.78 -1.27 115.31 119.94 3a8m h LEU 59 Ca 0.24 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3a8m h LEU 59 Cb 0.09 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3a8m h LEU 59 CO -0.03 0.91 0.06 0.58 0.09 0.00 0.00 178.44 180.04 3a8m h VAL 60 N 0.80 1.18 -0.75 1.22 2.07 -0.84 -0.80 116.25 119.13 3a8m h VAL 60 Ca 0.17 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 3a8m h VAL 60 Cb 0.40 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 3a8m h VAL 60 CO 0.01 0.17 0.42 0.00 0.02 0.00 0.00 177.57 178.19 3a8m h ALA 61 N 0.88 1.33 -0.10 1.67 0.00 -1.03 0.52 119.26 122.53 3a8m h ALA 61 Ca 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3a8m h ALA 61 Cb 0.21 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3a8m h ALA 61 CO -0.00 0.55 0.04 -0.09 0.00 0.00 0.00 179.25 179.75 3a8m h ARG 62 N 1.04 0.15 -0.86 0.00 9.65 -1.10 -2.57 114.38 120.69 3a8m h ARG 62 Ca 0.27 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.12 3a8m h ARG 62 Cb 0.01 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.52 3a8m h ARG 62 CO -0.05 0.26 0.54 0.00 2.80 0.00 0.00 179.97 183.53 3a8m h ALA 63 N 0.88 1.34 0.00 2.80 0.00 -0.42 -0.67 119.26 123.19 3a8m h ALA 63 Ca 0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3a8m h ALA 63 Cb 0.17 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3a8m h ALA 63 CO -0.00 0.59 -0.20 -1.49 0.00 0.00 0.00 179.25 178.15 3a8m h TRP 64 N 1.18 0.00 -0.06 0.00 6.55 -0.81 -3.19 115.95 119.61 3a8m h TRP 64 Ca 0.31 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.15 3a8m h TRP 64 Cb -0.09 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.21 3a8m h TRP 64 CO 0.00 0.20 0.00 0.25 -1.05 0.00 0.00 178.44 177.84 3a8m n THR 65 N -4.13 0.11 -3.49 1.49 -2.24 -0.71 -4.87 114.28 100.45 3a8m n THR 65 Ca -0.02 -0.56 -0.27 0.00 -2.27 0.00 0.00 64.05 60.94 3a8m n THR 65 Cb 0.27 1.19 -0.13 0.00 -2.10 0.00 0.00 70.33 69.56 3a8m n THR 65 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3a8m s ASP 66 N -1.07 2.98 0.29 3.42 3.68 -0.34 -5.02 116.67 120.61 3a8m s ASP 66 Ca 0.17 -1.50 0.02 0.00 2.13 0.00 0.00 52.55 53.37 3a8m s ASP 66 Cb 0.11 -0.19 0.56 0.00 -1.45 0.00 0.00 42.92 41.95 3a8m s ASP 66 CO 0.17 -0.38 1.86 -0.65 0.13 0.00 0.00 175.17 176.29 3a8m h PRO 67 N 7.91 0.96 -0.36 4.34 0.11 -1.86 -0.37 132.00 142.73 3a8m h PRO 67 Ca -0.10 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3a8m h PRO 67 Cb 1.01 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.89 3a8m h PRO 67 CO 0.36 0.64 0.24 1.49 -0.21 0.00 0.00 178.00 180.51 3a8m h GLU 68 N 0.99 0.48 -0.54 1.05 4.81 -1.95 -1.37 114.58 118.05 3a8m h GLU 68 Ca 0.46 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.55 3a8m h GLU 68 Cb 0.42 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 3a8m h GLU 68 CO -0.22 0.32 -0.12 0.35 -0.73 0.00 0.00 179.01 178.61 3a8m h PHE 69 N 0.49 1.15 -0.39 0.92 3.57 -1.63 -2.24 116.94 118.80 3a8m h PHE 69 Ca 0.13 -0.24 0.06 0.00 3.53 0.00 0.00 57.97 61.45 3a8m h PHE 69 Cb -0.05 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 38.36 3a8m h PHE 69 CO -0.05 1.06 0.07 -0.09 -2.23 0.00 0.00 178.31 177.08 3a8m h ARG 70 N 0.91 0.19 -0.76 1.11 2.43 -0.85 0.12 114.38 117.53 3a8m h ARG 70 Ca 0.14 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 3a8m h ARG 70 Cb 0.69 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.16 3a8m h ARG 70 CO 0.05 0.13 0.37 0.37 -1.51 0.00 0.00 179.97 179.38 3a8m h GLN 71 N 0.20 1.09 -0.17 0.20 5.75 -1.12 -1.27 115.11 119.79 3a8m h GLN 71 Ca 0.19 -0.16 -0.01 0.00 -0.15 0.00 0.00 58.65 58.52 3a8m h GLN 71 Cb 0.23 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.57 3a8m h GLN 71 CO -0.25 0.85 0.07 1.25 -2.65 0.00 0.00 178.83 178.09 3a8m h LEU 72 N 1.07 0.23 -0.99 -2.39 5.85 -0.77 -2.40 115.31 115.90 3a8m h LEU 72 Ca 0.26 -0.16 0.11 0.00 0.84 0.00 0.00 57.88 58.93 3a8m h LEU 72 Cb 0.11 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.00 3a8m h LEU 72 CO -0.03 0.33 0.63 0.25 -0.34 0.00 0.00 178.44 179.27 3a8m h LEU 73 N 0.12 0.94 0.00 2.25 5.85 -0.57 0.32 115.31 124.23 3a8m h LEU 73 Ca 0.06 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3a8m h LEU 73 Cb 0.17 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.05 3a8m h LEU 73 CO -0.00 0.53 -0.01 0.18 -0.34 0.00 0.00 178.44 178.79 3a8m n LEU 74 N -4.60 0.77 -0.05 2.25 4.77 -0.50 -3.09 117.00 116.56 3a8m n LEU 74 Ca 0.18 0.57 -0.05 0.00 -0.03 0.00 0.00 56.01 56.67 3a8m n LEU 74 Cb 0.31 -0.33 -0.08 0.00 -2.33 0.00 0.00 43.42 40.99 3a8m n LEU 74 CO 0.28 -0.17 -0.82 0.35 -1.33 0.00 0.00 177.39 175.70 3a8m n THR 75 N -2.22 0.68 -3.10 -5.08 -2.24 -0.82 -4.82 114.28 96.68 3a8m n THR 75 Ca 0.06 -0.42 -0.19 0.00 -2.27 0.00 0.00 64.05 61.23 3a8m n THR 75 Cb 0.43 -0.74 -0.04 0.00 -2.10 0.00 0.00 70.33 67.87 3a8m n THR 75 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3a8m n ASP 76 N -2.37 -1.11 -0.12 3.42 -0.08 0.11 -5.00 116.55 111.40 3a8m n ASP 76 Ca -0.16 -2.75 0.01 0.00 -1.51 0.00 0.00 54.79 50.38 3a8m n ASP 76 Cb 0.82 0.19 0.30 0.00 2.34 0.00 0.00 41.12 44.78 3a8m n ASP 76 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 3a8m h GLY 77 N 4.58 0.84 0.71 0.27 0.00 -1.55 -1.57 103.07 106.35 3a8m h GLY 77 Ca 0.08 -0.34 0.05 0.00 0.00 0.00 0.00 47.33 47.12 3a8m h GLY 77 CO 0.35 0.33 0.24 -0.84 0.00 0.00 0.00 176.54 176.63 3a8m h THR 78 N 0.80 0.94 -0.66 4.70 2.02 -1.84 -0.36 112.91 118.52 3a8m h THR 78 Ca 0.21 -0.16 -0.06 0.00 0.77 0.00 0.00 66.41 67.17 3a8m h THR 78 Cb -0.02 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 3a8m h THR 78 CO -0.04 0.09 0.19 0.00 0.37 0.00 0.00 175.52 176.13 3a8m h ALA 79 N 1.28 0.86 -0.24 6.16 0.00 -1.66 -0.64 119.26 125.02 3a8m h ALA 79 Ca 0.22 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3a8m h ALA 79 Cb 0.15 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3a8m h ALA 79 CO -0.17 0.55 0.11 0.00 0.00 0.00 0.00 179.25 179.74 3a8m h ALA 80 N 1.08 0.30 -0.57 0.00 0.00 -0.95 -2.28 119.26 116.84 3a8m h ALA 80 Ca 0.21 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3a8m h ALA 80 Cb 0.32 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3a8m h ALA 80 CO -0.00 -0.12 0.13 0.28 0.00 0.00 0.00 179.25 179.53 3a8m h VAL 81 N 0.24 1.23 -0.05 0.00 2.07 -0.96 -2.56 116.25 116.22 3a8m h VAL 81 Ca 0.08 -0.86 -0.05 0.00 0.82 0.00 0.00 66.70 66.69 3a8m h VAL 81 Cb 0.14 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3a8m h VAL 81 CO -0.01 0.32 -0.19 0.00 0.02 0.00 0.00 177.57 177.71 3a8m h ALA 82 N 1.29 1.59 -0.09 1.67 0.00 -0.91 -1.70 119.26 121.11 3a8m h ALA 82 Ca 0.18 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3a8m h ALA 82 Cb 0.32 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3a8m h ALA 82 CO 0.00 0.30 0.04 1.96 0.00 0.00 0.00 179.25 181.56 3a8m h GLN 83 N 0.08 0.12 -0.00 0.00 4.20 -0.97 -0.73 115.11 117.80 3a8m h GLN 83 Ca 0.01 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3a8m h GLN 83 Cb 0.39 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.14 3a8m h GLN 83 CO 0.03 0.10 -0.24 0.66 -0.67 0.00 0.00 178.83 178.71 3a8m n TYR 84 N -4.51 0.00 -1.88 2.96 4.02 -0.67 -4.95 117.16 112.13 3a8m n TYR 84 Ca -0.02 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.81 3a8m n TYR 84 Cb 0.10 -0.21 -0.01 0.00 -0.02 0.00 0.00 39.34 39.19 3a8m n TYR 84 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3a8m n GLY 85 N 1.38 0.30 1.25 2.72 0.00 -0.28 -4.96 105.19 105.60 3a8m n GLY 85 Ca 0.11 -0.65 0.09 0.00 0.00 0.00 0.00 46.02 45.57 3a8m n GLY 85 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3a8m n TYR 86 N -3.69 1.15 -2.02 1.61 4.01 -0.99 -4.94 117.16 112.28 3a8m n TYR 86 Ca -0.08 -0.63 -0.36 0.00 -0.16 0.00 0.00 57.90 56.67 3a8m n TYR 86 Cb 0.47 -0.20 0.03 0.00 -0.31 0.00 0.00 39.34 39.33 3a8m n TYR 86 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3a8m s LEU 87 N -1.82 3.70 0.00 7.72 1.43 -1.26 -4.63 118.68 123.82 3a8m s LEU 87 Ca 0.43 2.40 -0.06 0.00 -1.03 0.00 0.00 54.13 55.88 3a8m s LEU 87 Cb 0.28 -4.56 0.02 0.00 0.03 0.00 0.00 46.19 41.96 3a8m s LEU 87 CO 0.20 -1.55 0.26 0.61 0.23 0.00 0.00 176.35 176.10 3a8m n GLY 88 N 0.51 0.46 3.62 -3.19 0.00 -1.02 -5.01 105.19 100.57 3a8m n GLY 88 Ca 0.13 -0.86 -0.48 0.00 0.00 0.00 0.00 46.02 44.81 3a8m n GLY 88 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3a8m n PRO 89 N -0.19 1.59 -2.38 1.61 -0.02 -1.26 -0.45 135.00 133.91 3a8m n PRO 89 Ca 0.01 0.57 -0.20 0.00 -2.02 0.00 0.00 63.50 61.87 3a8m n PRO 89 Cb 0.11 -2.20 -0.01 0.00 -0.02 0.00 0.00 33.50 31.39 3a8m n PRO 89 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3a8m n GLN 90 N 2.33 -1.60 -2.51 -0.52 1.13 -1.26 -4.27 117.38 110.68 3a8m n GLN 90 Ca 0.15 0.95 -0.03 0.00 -1.94 0.00 0.00 57.00 56.13 3a8m n GLN 90 Cb 0.26 -5.54 0.09 0.00 0.11 0.00 0.00 30.24 25.16 3a8m n GLN 90 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3a8m n GLY 91 N -1.02 1.12 0.06 1.08 0.00 0.41 -2.61 105.19 104.22 3a8m n GLY 91 Ca -0.23 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3a8m n GLY 91 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3a8m n GLU 92 N -0.96 0.67 -3.89 1.61 1.02 -1.15 -2.43 120.64 115.52 3a8m n GLU 92 Ca -0.12 -0.07 -0.30 0.00 -0.02 0.00 0.00 57.16 56.64 3a8m n GLU 92 Cb 0.79 -1.54 -0.15 0.00 -0.02 0.00 0.00 31.44 30.52 3a8m n GLU 92 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 3a8m s TYR 93 N -2.98 2.56 -0.12 -0.32 6.14 -1.26 -4.93 117.35 116.44 3a8m s TYR 93 Ca -0.09 -2.13 -0.03 0.00 0.64 0.00 0.00 57.07 55.47 3a8m s TYR 93 Cb 0.10 -2.04 -0.03 0.00 0.42 0.00 0.00 41.96 40.40 3a8m s TYR 93 CO 0.86 -0.86 -0.01 0.42 0.64 0.00 0.00 175.55 176.60 3a8m s ILE 94 N 1.33 4.20 -0.11 3.14 -1.09 -1.26 -1.05 121.20 126.36 3a8m s ILE 94 Ca 0.05 -0.27 0.02 0.00 -2.23 0.00 0.00 60.65 58.22 3a8m s ILE 94 Cb -0.18 -2.81 0.01 0.00 -1.58 0.00 0.00 42.46 37.90 3a8m s ILE 94 CO -0.13 0.55 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.28 3a8m s VAL 95 N -0.29 1.53 -0.09 2.92 1.01 -0.60 -2.68 120.40 122.19 3a8m s VAL 95 Ca 0.06 -0.66 -0.12 0.00 0.00 0.00 0.00 61.98 61.26 3a8m s VAL 95 Cb -0.12 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 3a8m s VAL 95 CO 0.02 0.45 0.29 0.00 0.00 0.00 0.00 175.10 175.86 3a8m s ALA 96 N 0.99 3.71 -0.07 5.51 0.00 -1.26 -2.02 121.76 128.61 3a8m s ALA 96 Ca -0.06 -0.42 0.06 0.00 0.00 0.00 0.00 51.96 51.53 3a8m s ALA 96 Cb -0.15 -2.27 -0.01 0.00 0.00 0.00 0.00 23.12 20.69 3a8m s ALA 96 CO -0.02 0.37 -0.25 0.14 0.00 0.00 0.00 175.76 176.00 3a8m s VAL 97 N -0.47 2.05 -0.24 0.00 -7.23 -0.42 -4.74 120.40 109.35 3a8m s VAL 97 Ca 0.18 -1.06 -0.15 0.00 -1.81 0.00 0.00 61.98 59.14 3a8m s VAL 97 Cb -0.14 -1.74 -0.04 0.00 0.56 0.00 0.00 36.38 35.02 3a8m s VAL 97 CO 0.07 0.57 0.39 -0.70 -0.31 0.00 0.00 175.10 175.12 3a8m s GLU 98 N -0.07 4.08 0.56 4.82 2.12 -1.26 -0.95 118.70 127.99 3a8m s GLU 98 Ca -0.06 0.11 -0.18 0.00 0.36 0.00 0.00 54.97 55.20 3a8m s GLU 98 Cb -0.15 -3.61 -0.05 0.00 0.26 0.00 0.00 34.13 30.58 3a8m s GLU 98 CO 0.05 -0.19 1.07 -0.51 -0.54 0.00 0.00 175.26 175.14 3a8m s ASP 99 N 1.39 5.89 0.26 -1.70 1.01 -0.69 -4.86 116.67 117.96 3a8m s ASP 99 Ca 0.17 1.94 -0.06 0.00 0.71 0.00 0.00 52.55 55.30 3a8m s ASP 99 Cb -0.15 -2.55 -0.01 0.00 1.01 0.00 0.00 42.92 41.21 3a8m s ASP 99 CO 0.09 -1.10 0.37 0.42 0.21 0.00 0.00 175.17 175.16 3a8m s THR 100 N -2.16 0.00 -0.57 -1.27 -4.23 -0.44 -4.53 115.64 102.44 3a8m s THR 100 Ca 0.67 -1.65 0.12 0.00 -1.18 0.00 0.00 61.69 59.65 3a8m s THR 100 Cb -0.18 -2.41 0.12 0.00 1.34 0.00 0.00 72.50 71.37 3a8m s THR 100 CO 0.30 0.00 1.37 -2.65 -0.54 0.00 0.00 174.62 173.10 3a8m n PRO 101 N -0.40 0.08 -0.02 3.99 -0.02 -1.26 -2.12 135.00 135.24 3a8m n PRO 101 Ca 0.00 0.57 0.02 0.00 -2.02 0.00 0.00 63.50 62.07 3a8m n PRO 101 Cb 0.63 -1.75 0.02 0.00 -0.02 0.00 0.00 33.50 32.38 3a8m n PRO 101 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3a8m n THR 102 N -1.91 1.08 -3.70 3.45 -2.24 -1.26 -4.81 114.28 104.89 3a8m n THR 102 Ca -0.01 -1.15 -0.12 0.00 -2.27 0.00 0.00 64.05 60.51 3a8m n THR 102 Cb 0.03 0.40 -0.13 0.00 -2.10 0.00 0.00 70.33 68.53 3a8m n THR 102 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3a8m s LEU 103 N -1.25 0.09 -0.15 3.22 2.96 -0.90 -0.79 118.68 121.87 3a8m s LEU 103 Ca 0.05 0.63 0.02 0.00 -0.22 0.00 0.00 54.13 54.61 3a8m s LEU 103 Cb 0.05 0.86 0.01 0.00 0.50 0.00 0.00 46.19 47.60 3a8m s LEU 103 CO 0.01 -0.19 -0.20 -0.75 -1.32 0.00 0.00 176.35 173.89 3a8m s LYS 104 N 1.65 3.08 -0.03 1.98 2.47 0.68 -1.33 119.74 128.23 3a8m s LYS 104 Ca -0.06 -0.82 -0.05 0.00 -1.56 0.00 0.00 55.97 53.47 3a8m s LYS 104 Cb -0.11 -2.50 -0.04 0.00 -1.46 0.00 0.00 37.83 33.72 3a8m s LYS 104 CO -0.09 -0.02 0.20 -0.80 0.16 0.00 0.00 175.35 174.80 3a8m s ASN 105 N 0.85 6.42 -0.01 1.43 0.01 -1.26 -0.71 114.94 121.68 3a8m s ASN 105 Ca -0.06 0.45 -0.01 0.00 -0.71 0.00 0.00 52.86 52.54 3a8m s ASN 105 Cb -0.15 -2.05 0.00 0.00 0.41 0.00 0.00 41.25 39.46 3a8m s ASN 105 CO -0.02 0.29 0.03 -0.69 -1.51 0.00 0.00 177.10 175.20 3a8m s VAL 106 N -1.25 0.01 0.04 1.60 1.01 -0.45 -4.48 120.40 116.88 3a8m s VAL 106 Ca 0.25 -0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.20 3a8m s VAL 106 Cb -0.13 -0.07 -0.03 0.00 0.00 0.00 0.00 36.38 36.15 3a8m s VAL 106 CO 0.15 -0.04 -0.11 -0.63 0.00 0.00 0.00 175.10 174.47 3a8m s ILE 107 N -0.11 3.34 0.16 2.22 1.01 -0.27 -0.31 121.20 127.24 3a8m s ILE 107 Ca -0.01 -1.00 -0.10 0.00 0.00 0.00 0.00 60.65 59.54 3a8m s ILE 107 Cb -0.01 -2.47 -0.00 0.00 0.01 0.00 0.00 42.46 39.99 3a8m s ILE 107 CO -0.00 0.32 0.31 0.54 0.00 0.00 0.00 174.94 176.10 3a8m s VAL 108 N -1.02 0.06 -0.45 2.92 0.11 -0.52 -4.91 120.40 116.59 3a8m s VAL 108 Ca 0.17 -1.30 0.03 0.00 -2.93 0.00 0.00 61.98 57.95 3a8m s VAL 108 Cb -0.11 -1.79 0.12 0.00 -1.53 0.00 0.00 36.38 33.08 3a8m s VAL 108 CO 0.08 -0.29 0.20 0.00 -3.33 0.00 0.00 175.10 171.76 3a8m h SER 110 N 6.89 0.00 0.81 0.00 4.64 -1.84 -3.33 113.55 120.72 3a8m h SER 110 Ca -0.06 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.04 3a8m h SER 110 Cb 0.93 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.99 3a8m h SER 110 CO 0.60 0.20 -1.29 -0.07 -0.87 0.00 0.00 176.83 175.39 3a8m h LEU 111 N 0.00 0.00 -8.41 5.97 3.38 -1.91 -3.46 115.31 110.88 3a8m h LEU 111 Ca -0.00 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.54 3a8m h LEU 111 Cb 0.44 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.97 3a8m h LEU 111 CO 0.03 0.88 -0.79 -0.94 0.09 0.00 0.00 178.44 177.71 3a8m s SER 113 N -6.29 1.74 0.00 -0.43 1.04 -1.25 -5.22 113.70 103.29 3a8m s SER 113 Ca -0.01 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.83 3a8m s SER 113 Cb 0.09 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.14 3a8m s SER 113 CO 0.81 -0.04 0.00 0.41 0.98 0.00 0.00 173.24 175.41 3a8m n THR 115 N 1.42 0.00 -1.70 2.02 -1.04 -1.26 -4.82 114.28 108.91 3a8m n THR 115 Ca -0.20 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.44 3a8m n THR 115 Cb 0.54 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 69.00 3a8m n THR 115 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3a8m n ALA 116 N -1.36 2.83 -0.21 2.41 0.00 -1.26 -4.77 120.51 118.15 3a8m n ALA 116 Ca 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 53.44 50.17 3a8m n ALA 116 Cb 0.00 -3.56 0.09 0.00 0.00 0.00 0.00 19.45 15.98 3a8m n ALA 116 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 3a8m h TRP 117 N 8.52 -0.14 0.00 0.00 6.55 -1.71 -0.39 115.95 128.77 3a8m h TRP 117 Ca 0.35 0.05 -0.04 0.00 0.95 0.00 0.00 58.89 60.20 3a8m h TRP 117 Cb 0.80 0.16 -0.01 0.00 -0.86 0.00 0.00 29.16 29.25 3a8m h TRP 117 CO 1.26 -0.21 -0.19 -1.35 -1.05 0.00 0.00 178.44 176.91 3a8m h PRO 118 N 0.07 0.00 0.00 0.49 0.11 -1.81 0.74 132.00 131.61 3a8m h PRO 118 Ca 0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.43 3a8m h PRO 118 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.62 3a8m h PRO 118 CO -0.57 0.19 -0.68 0.44 -0.21 0.00 0.00 178.00 177.16 3a8m n ILE 119 N -3.61 0.00 0.32 4.15 -5.35 -0.96 -2.75 119.36 111.16 3a8m n ILE 119 Ca -0.01 -0.28 0.06 0.00 -0.27 0.00 0.00 62.75 62.25 3a8m n ILE 119 Cb 0.32 0.78 -0.08 0.00 -1.74 0.00 0.00 39.64 38.91 3a8m n ILE 119 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3a8m n LEU 120 N -1.37 0.32 -0.24 7.28 4.32 -0.20 -1.18 117.00 125.94 3a8m n LEU 120 Ca 0.00 -0.27 0.03 0.00 -0.02 0.00 0.00 56.01 55.75 3a8m n LEU 120 Cb 0.14 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 41.93 3a8m n LEU 120 CO 0.15 0.08 -0.09 0.61 -1.22 0.00 0.00 177.39 176.92 3a8m n GLY 121 N 1.51 -2.48 3.67 -0.72 0.00 0.25 -3.35 105.19 104.07 3a8m n GLY 121 Ca 0.00 -1.40 -0.40 0.00 0.00 0.00 0.00 46.02 44.22 3a8m n GLY 121 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a8m n LEU 122 N -2.54 4.05 -4.76 0.99 4.77 -1.26 -4.46 117.00 113.79 3a8m n LEU 122 Ca -0.01 0.99 -0.36 0.00 -0.03 0.00 0.00 56.01 56.61 3a8m n LEU 122 Cb 0.11 -1.47 0.02 0.00 -2.33 0.00 0.00 43.42 39.75 3a8m n LEU 122 CO 0.01 -1.06 0.82 -2.16 -1.33 0.00 0.00 177.39 173.66 3a8m s PRO 123 N -2.46 3.19 0.66 3.23 0.04 -1.26 -5.01 135.00 133.39 3a8m s PRO 123 Ca 0.67 1.73 -0.11 0.00 0.04 0.00 0.00 61.00 63.34 3a8m s PRO 123 Cb -0.47 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.07 3a8m s PRO 123 CO 0.53 -1.01 1.05 -1.25 0.04 0.00 0.00 177.00 176.36 3a8m s PRO 124 N -3.28 3.12 0.25 0.56 0.04 -1.26 -4.93 135.00 129.50 3a8m s PRO 124 Ca 0.75 0.50 -0.03 0.00 0.04 0.00 0.00 61.00 62.26 3a8m s PRO 124 Cb -0.27 -2.07 0.50 0.00 0.04 0.00 0.00 34.50 32.69 3a8m s PRO 124 CO 0.30 -0.83 1.70 1.15 0.04 0.00 0.00 177.00 179.37 3a8m h THR 125 N -0.48 0.57 -0.34 1.26 2.02 -1.98 -1.41 112.91 112.55 3a8m h THR 125 Ca -0.45 -0.12 -0.05 0.00 0.77 0.00 0.00 66.41 66.56 3a8m h THR 125 Cb 1.23 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 3a8m h THR 125 CO 0.63 0.07 -0.02 4.11 0.37 0.00 0.00 175.52 180.67 3a8m h TRP 126 N 0.36 0.55 0.00 3.16 5.08 -1.97 -2.13 115.95 120.99 3a8m h TRP 126 Ca 0.43 -0.06 -0.10 0.00 1.08 0.00 0.00 58.89 60.24 3a8m h TRP 126 Cb 0.72 -0.16 -0.01 0.00 -3.00 0.00 0.00 29.16 26.71 3a8m h TRP 126 CO -0.21 0.56 -0.49 -0.92 -1.28 0.00 0.00 178.44 176.10 3a8m h TYR 127 N 0.51 0.00 -0.01 0.12 5.03 -1.63 -2.66 116.97 118.33 3a8m h TYR 127 Ca 0.11 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.42 3a8m h TYR 127 Cb 0.36 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.64 3a8m h TYR 127 CO 0.01 0.49 -0.14 1.63 -1.32 0.00 0.00 178.16 178.83 3a8m n LYS 128 N -3.86 0.88 -2.12 1.82 5.02 -0.89 -4.56 118.16 114.45 3a8m n LYS 128 Ca -0.01 -0.41 -0.35 0.00 -2.02 0.00 0.00 58.31 55.52 3a8m n LYS 128 Cb 0.52 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 34.05 3a8m n LYS 128 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3a8m s SER 129 N -2.40 5.48 0.43 4.39 1.04 -0.85 -4.89 113.70 116.89 3a8m s SER 129 Ca 0.29 2.22 0.12 0.00 0.48 0.00 0.00 55.95 59.05 3a8m s SER 129 Cb 0.20 -2.58 0.94 0.00 0.10 0.00 0.00 66.02 64.68 3a8m s SER 129 CO 0.47 -1.39 2.00 -0.26 0.98 0.00 0.00 173.24 175.04 3a8m h PHE 130 N 0.95 0.18 -0.24 5.02 0.04 -1.92 -1.62 116.94 119.36 3a8m h PHE 130 Ca -0.50 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.26 3a8m h PHE 130 Cb 1.27 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 39.35 3a8m h PHE 130 CO 0.50 0.25 0.13 0.93 -0.60 0.00 0.00 178.31 179.52 3a8m h GLU 131 N 0.18 0.34 -0.20 1.51 3.07 -1.91 -0.40 114.58 117.16 3a8m h GLU 131 Ca 0.04 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.36 58.75 3a8m h GLU 131 Cb 0.23 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.07 3a8m h GLU 131 CO 0.01 0.31 -0.30 -0.92 -1.40 0.00 0.00 179.01 176.71 3a8m h TYR 132 N 0.28 0.69 -0.77 4.33 3.20 -1.71 -1.34 116.97 121.66 3a8m h TYR 132 Ca 0.09 -0.23 0.02 0.00 3.14 0.00 0.00 58.73 61.74 3a8m h TYR 132 Cb 0.07 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.16 3a8m h TYR 132 CO -0.03 0.95 0.51 0.00 -1.64 0.00 0.00 178.16 177.95 3a8m h ARG 133 N 0.24 0.96 0.18 1.82 3.08 -1.22 -1.71 114.38 117.72 3a8m h ARG 133 Ca 0.02 -0.06 -0.25 0.00 0.07 0.00 0.00 59.98 59.76 3a8m h ARG 133 Cb 0.88 -0.22 0.03 0.00 0.08 0.00 0.00 29.97 30.74 3a8m h ARG 133 CO 0.07 0.63 -1.08 0.00 -1.07 0.00 0.00 179.97 178.52 3a8m h ALA 134 N 1.54 -0.11 0.04 0.04 0.00 -1.05 -3.42 119.26 116.29 3a8m h ALA 134 Ca 0.29 -0.75 -0.35 0.00 0.00 0.00 0.00 54.91 54.10 3a8m h ALA 134 Cb -0.03 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 3a8m h ALA 134 CO -0.08 0.51 -2.11 0.54 0.00 0.00 0.00 179.25 178.11 3a8m n ARG 135 N -3.96 0.69 0.22 0.00 1.74 -0.51 -4.36 116.66 110.48 3a8m n ARG 135 Ca -0.15 0.19 0.09 0.00 -0.77 0.00 0.00 57.85 57.21 3a8m n ARG 135 Cb 0.93 -1.65 0.52 0.00 -1.02 0.00 0.00 32.46 31.24 3a8m n ARG 135 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 3a8m h VAL 136 N 0.02 0.75 -0.09 1.55 3.04 -1.51 0.12 116.25 120.13 3a8m h VAL 136 Ca -0.45 -1.00 -0.11 0.00 -1.01 0.00 0.00 66.70 64.13 3a8m h VAL 136 Cb 2.05 1.62 -0.01 0.00 -2.01 0.00 0.00 31.29 32.94 3a8m h VAL 136 CO 0.03 0.23 -0.45 0.58 -1.01 0.00 0.00 177.57 176.96 3a8m h VAL 137 N 0.00 1.33 0.00 1.51 2.07 -1.80 -2.91 116.25 116.45 3a8m h VAL 137 Ca -0.00 -1.60 -0.38 0.00 0.82 0.00 0.00 66.70 65.54 3a8m h VAL 137 Cb 0.60 1.76 -0.07 0.00 -1.52 0.00 0.00 31.29 32.06 3a8m h VAL 137 CO 0.03 0.47 -2.40 -1.14 0.02 0.00 0.00 177.57 174.55 3a8m n ARG 138 N -4.00 0.67 -3.15 1.57 0.63 -0.79 -4.71 116.66 106.89 3a8m n ARG 138 Ca -0.02 0.08 -0.20 0.00 -0.92 0.00 0.00 57.85 56.79 3a8m n ARG 138 Cb 0.50 -1.53 -0.04 0.00 0.45 0.00 0.00 32.46 31.84 3a8m n ARG 138 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 3a8m n GLU 139 N -3.01 1.39 0.13 -0.14 0.28 0.34 -4.93 120.64 114.70 3a8m n GLU 139 Ca -0.39 -3.66 0.03 0.00 -0.16 0.00 0.00 57.16 52.98 3a8m n GLU 139 Cb 1.08 -1.78 0.43 0.00 1.43 0.00 0.00 31.44 32.60 3a8m n GLU 139 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 3a8m h PRO 140 N 3.11 0.22 -0.50 3.44 0.13 -1.66 -0.87 132.00 135.87 3a8m h PRO 140 Ca 0.11 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 65.14 3a8m h PRO 140 Cb 0.87 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.94 3a8m h PRO 140 CO 0.56 0.32 0.11 -0.09 -0.23 0.00 0.00 178.00 178.67 3a8m h ARG 141 N 0.22 0.81 -0.36 0.86 2.43 -1.91 -0.11 114.38 116.32 3a8m h ARG 141 Ca 0.05 -0.20 -0.08 0.00 -0.81 0.00 0.00 59.98 58.94 3a8m h ARG 141 Cb 0.28 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 3a8m h ARG 141 CO 0.01 0.79 -0.09 -0.22 -1.51 0.00 0.00 179.97 178.95 3a8m h LYS 142 N 0.70 0.69 -0.20 0.20 3.64 -1.88 -0.96 116.57 118.76 3a8m h LYS 142 Ca 0.16 -0.27 0.02 0.00 -1.27 0.00 0.00 60.65 59.29 3a8m h LYS 142 Cb 0.35 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 3a8m h LYS 142 CO 0.00 0.85 0.08 0.28 -2.27 0.00 0.00 179.45 178.40 3a8m h VAL 143 N 0.49 0.98 -0.70 2.00 2.07 -1.02 -0.53 116.25 119.53 3a8m h VAL 143 Ca 0.09 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 3a8m h VAL 143 Cb 0.60 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 3a8m h VAL 143 CO 0.04 0.03 0.28 -0.07 0.02 0.00 0.00 177.57 177.87 3a8m h LEU 144 N 0.19 0.98 -0.51 2.57 4.07 -0.88 -1.79 115.31 119.92 3a8m h LEU 144 Ca 0.08 -0.17 0.02 0.00 0.08 0.00 0.00 57.88 57.88 3a8m h LEU 144 Cb 0.04 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 41.49 3a8m h LEU 144 CO -0.07 0.89 0.32 -1.28 -1.08 0.00 0.00 178.44 177.22 3a8m h SER 145 N 1.01 0.54 -0.33 -0.43 0.87 -0.78 0.17 113.55 114.60 3a8m h SER 145 Ca 0.23 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.78 3a8m h SER 145 Cb 0.22 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 3a8m h SER 145 CO -0.02 0.39 0.18 -0.33 -0.53 0.00 0.00 176.83 176.51 3a8m h GLU 146 N 0.65 0.50 0.00 2.24 5.08 -0.80 -1.67 114.58 120.59 3a8m h GLU 146 Ca 0.20 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3a8m h GLU 146 Cb -0.03 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.12 3a8m h GLU 146 CO -0.07 0.39 0.00 -1.33 -1.00 0.00 0.00 179.01 177.01 3a8m n MET 147 N -4.42 0.21 0.00 2.33 2.81 -0.70 -4.92 117.12 112.43 3a8m n MET 147 Ca 0.02 0.25 0.00 0.00 -1.81 0.00 0.00 57.70 56.16 3a8m n MET 147 Cb 0.12 -1.78 0.00 0.00 -0.71 0.00 0.00 33.22 30.84 3a8m n MET 147 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3a8m n GLY 148 N 0.93 1.34 3.10 3.03 0.00 -0.63 -5.09 105.19 107.89 3a8m n GLY 148 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3a8m n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a8m s THR 149 N -2.00 2.36 -0.25 2.61 2.01 -0.04 -4.98 115.64 115.35 3a8m s THR 149 Ca 0.00 -1.47 -0.21 0.00 0.31 0.00 0.00 61.69 60.32 3a8m s THR 149 Cb 0.00 -2.33 -0.02 0.00 0.01 0.00 0.00 72.50 70.16 3a8m s THR 149 CO 0.00 0.03 0.65 -1.61 -0.69 0.00 0.00 174.62 173.00 3a8m s GLU 150 N 1.17 4.12 -0.31 4.92 0.41 -1.26 -2.35 118.70 125.39 3a8m s GLU 150 Ca -0.06 0.59 -0.05 0.00 -0.41 0.00 0.00 54.97 55.04 3a8m s GLU 150 Cb -0.19 -3.65 0.03 0.00 -1.78 0.00 0.00 34.13 28.55 3a8m s GLU 150 CO -0.05 -0.42 0.06 0.42 -0.49 0.00 0.00 175.26 174.79 3a8m s ILE 151 N 2.51 3.57 0.66 -1.63 -1.09 -1.26 -5.07 121.20 118.90 3a8m s ILE 151 Ca 0.27 -1.09 -0.17 0.00 -2.23 0.00 0.00 60.65 57.43 3a8m s ILE 151 Cb -0.15 -2.97 -0.00 0.00 -1.58 0.00 0.00 42.46 37.75 3a8m s ILE 151 CO 0.08 -0.08 1.28 0.00 -1.23 0.00 0.00 174.94 174.99 3a8m s ALA 152 N 1.38 2.32 0.18 9.38 0.00 -1.26 -4.90 121.76 128.86 3a8m s ALA 152 Ca -0.01 1.16 -0.06 0.00 0.00 0.00 0.00 51.96 53.04 3a8m s ALA 152 Cb -0.19 -3.54 0.27 0.00 0.00 0.00 0.00 23.12 19.67 3a8m s ALA 152 CO 0.01 -1.66 1.00 -1.13 0.00 0.00 0.00 175.76 173.99 3a8m n SER 153 N -2.07 -0.26 0.00 0.00 3.41 -1.26 -1.08 113.62 112.36 3a8m n SER 153 Ca 0.15 1.11 0.06 0.00 -0.26 0.00 0.00 58.87 59.93 3a8m n SER 153 Cb 0.48 -0.32 0.34 0.00 -0.26 0.00 0.00 64.21 64.46 3a8m n SER 153 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3a8m n ASP 154 N -5.03 0.00 -4.23 4.04 5.75 -1.26 -4.68 116.55 111.14 3a8m n ASP 154 Ca 0.10 -0.33 -0.33 0.00 -0.01 0.00 0.00 54.79 54.22 3a8m n ASP 154 Cb 0.31 -0.02 -0.16 0.00 -1.03 0.00 0.00 41.12 40.22 3a8m n ASP 154 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3a8m s ILE 155 N -2.05 2.36 0.13 2.12 1.01 -0.24 -4.74 121.20 119.79 3a8m s ILE 155 Ca 0.17 -0.89 -0.31 0.00 0.00 0.00 0.00 60.65 59.62 3a8m s ILE 155 Cb 0.08 -1.96 -0.08 0.00 0.01 0.00 0.00 42.46 40.51 3a8m s ILE 155 CO 0.14 0.54 1.41 -0.70 0.00 0.00 0.00 174.94 176.33 3a8m s GLU 156 N 0.71 4.31 -0.10 2.79 2.12 0.03 -4.85 118.70 123.72 3a8m s GLU 156 Ca -0.08 2.12 -0.15 0.00 0.36 0.00 0.00 54.97 57.22 3a8m s GLU 156 Cb -0.16 -3.23 -0.05 0.00 0.26 0.00 0.00 34.13 30.96 3a8m s GLU 156 CO 0.01 -0.45 0.37 0.42 -0.54 0.00 0.00 175.26 175.07 3a8m s ILE 157 N 1.04 5.20 -0.17 -3.70 1.01 -1.26 -0.23 121.20 123.09 3a8m s ILE 157 Ca 0.65 0.73 0.01 0.00 0.00 0.00 0.00 60.65 62.03 3a8m s ILE 157 Cb -0.38 -3.69 0.02 0.00 0.01 0.00 0.00 42.46 38.42 3a8m s ILE 157 CO 0.31 0.44 -0.17 -0.60 0.00 0.00 0.00 174.94 174.92 3a8m s ARG 158 N -0.01 2.63 -0.24 2.79 3.52 0.12 -4.95 118.95 122.81 3a8m s ARG 158 Ca 0.21 -0.73 -0.12 0.00 -0.13 0.00 0.00 55.73 54.97 3a8m s ARG 158 Cb -0.15 -2.37 -0.05 0.00 -1.56 0.00 0.00 34.95 30.83 3a8m s ARG 158 CO 0.08 -0.24 0.21 0.08 -0.81 0.00 0.00 175.30 174.63 3a8m s VAL 159 N 1.38 5.32 -0.35 7.11 1.01 -1.26 -1.34 120.40 132.26 3a8m s VAL 159 Ca 0.04 0.29 -0.16 0.00 0.00 0.00 0.00 61.98 62.16 3a8m s VAL 159 Cb -0.13 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 3a8m s VAL 159 CO -0.12 0.32 0.39 -0.31 0.00 0.00 0.00 175.10 175.38 3a8m s TYR 160 N 1.17 3.20 -0.28 5.22 1.51 0.57 -4.97 117.35 123.78 3a8m s TYR 160 Ca 0.10 -0.04 -0.18 0.00 -1.01 0.00 0.00 57.07 55.94 3a8m s TYR 160 Cb -0.14 -2.73 -0.02 0.00 -0.11 0.00 0.00 41.96 38.96 3a8m s TYR 160 CO 0.06 -0.48 0.51 0.34 -1.11 0.00 0.00 175.55 174.87 3a8m s ASP 161 N 1.75 6.40 -1.02 2.29 -1.08 -1.26 -1.43 116.67 122.32 3a8m s ASP 161 Ca 0.13 0.42 -0.22 0.00 -0.52 0.00 0.00 52.55 52.36 3a8m s ASP 161 Cb -0.16 -2.28 0.07 0.00 -1.46 0.00 0.00 42.92 39.09 3a8m s ASP 161 CO 0.12 -0.32 1.39 -0.89 0.52 0.00 0.00 175.17 176.00 3a8m s THR 162 N 2.32 4.14 -0.85 1.71 2.01 0.61 -4.74 115.64 120.84 3a8m s THR 162 Ca 0.21 -1.05 0.13 0.00 0.31 0.00 0.00 61.69 61.28 3a8m s THR 162 Cb -0.16 -5.00 -0.09 0.00 0.01 0.00 0.00 72.50 67.26 3a8m s THR 162 CO 0.10 -1.84 0.63 0.35 -0.69 0.00 0.00 174.62 173.17 3a8m n THR 163 N 6.50 0.00 0.00 -0.82 -2.24 -1.26 -4.70 114.28 111.76 3a8m n THR 163 Ca 0.32 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 3a8m n THR 163 Cb 0.50 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 3a8m n THR 163 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a8m n ALA 164 N -0.88 0.00 0.87 6.98 0.00 -1.26 -5.06 120.51 121.15 3a8m n ALA 164 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.57 3a8m n ALA 164 Cb 0.23 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.58 3a8m n ALA 164 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3a8m n GLU 165 N 0.00 0.80 -1.78 0.00 -0.58 -1.26 -4.92 120.64 112.89 3a8m n GLU 165 Ca 0.00 -0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.32 3a8m n GLU 165 Cb 0.00 -1.39 -0.01 0.00 -0.57 0.00 0.00 31.44 29.47 3a8m n GLU 165 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3a8m s THR 166 N -2.78 2.06 -0.12 2.62 2.01 -1.26 -4.51 115.64 113.67 3a8m s THR 166 Ca 0.07 0.06 0.03 0.00 0.31 0.00 0.00 61.69 62.15 3a8m s THR 166 Cb 0.14 -3.04 0.01 0.00 0.01 0.00 0.00 72.50 69.62 3a8m s THR 166 CO 0.77 0.01 -0.20 -0.13 -0.69 0.00 0.00 174.62 174.38 3a8m s ARG 167 N -0.93 2.72 0.16 4.92 1.81 -0.21 -4.84 118.95 122.58 3a8m s ARG 167 Ca 0.60 -0.75 0.05 0.00 -1.72 0.00 0.00 55.73 53.91 3a8m s ARG 167 Cb -0.47 -2.18 -0.04 0.00 -0.45 0.00 0.00 34.95 31.81 3a8m s ARG 167 CO 0.52 0.03 0.11 0.71 -0.68 0.00 0.00 175.30 175.99 3a8m s TYR 168 N 0.71 3.11 0.02 -0.53 2.02 -1.26 -1.56 117.35 119.86 3a8m s TYR 168 Ca -0.11 -0.03 0.01 0.00 -0.37 0.00 0.00 57.07 56.58 3a8m s TYR 168 Cb -0.16 -1.50 -0.01 0.00 -0.40 0.00 0.00 41.96 39.88 3a8m s TYR 168 CO 0.02 0.52 -0.05 0.00 -1.57 0.00 0.00 175.55 174.47 3a8m s MET 169 N -3.00 0.38 -0.00 -0.62 0.23 -0.86 -4.42 119.30 111.00 3a8m s MET 169 Ca 0.30 -0.47 -0.20 0.00 -1.03 0.00 0.00 55.69 54.29 3a8m s MET 169 Cb -0.10 -0.19 -0.05 0.00 -1.53 0.00 0.00 34.83 32.96 3a8m s MET 169 CO 0.22 0.04 0.57 0.08 -2.03 0.00 0.00 175.02 173.90 3a8m s VAL 170 N -0.89 4.91 -0.61 5.16 1.01 -0.27 -1.30 120.40 128.40 3a8m s VAL 170 Ca -0.07 1.20 -0.17 0.00 0.00 0.00 0.00 61.98 62.94 3a8m s VAL 170 Cb -0.07 -3.91 0.14 0.00 0.00 0.00 0.00 36.38 32.54 3a8m s VAL 170 CO -0.00 0.44 0.62 -0.22 0.00 0.00 0.00 175.10 175.93 3a8m s LEU 171 N -0.30 6.04 0.75 3.92 2.96 -0.12 -4.59 118.68 127.34 3a8m s LEU 171 Ca 0.30 -1.86 -0.11 0.00 -0.22 0.00 0.00 54.13 52.24 3a8m s LEU 171 Cb -0.18 -2.24 0.04 0.00 0.50 0.00 0.00 46.19 44.31 3a8m s LEU 171 CO 0.17 -0.89 1.08 -2.16 -1.32 0.00 0.00 176.35 173.23 3a8m s PRO 172 N 1.68 2.46 0.51 0.98 0.05 -1.26 -1.71 135.00 137.71 3a8m s PRO 172 Ca 0.09 0.83 -0.22 0.00 0.05 0.00 0.00 61.00 61.74 3a8m s PRO 172 Cb -0.24 -1.95 -0.06 0.00 0.05 0.00 0.00 34.50 32.30 3a8m s PRO 172 CO 0.01 -1.40 1.28 -0.65 0.05 0.00 0.00 177.00 176.29 3a8m s GLN 173 N -5.08 3.40 -0.13 4.56 -0.21 -1.26 -4.83 119.66 116.12 3a8m s GLN 173 Ca 0.60 2.04 -0.26 0.00 0.02 0.00 0.00 55.36 57.75 3a8m s GLN 173 Cb -0.15 -2.32 -0.02 0.00 1.00 0.00 0.00 33.01 31.52 3a8m s GLN 173 CO 0.55 -0.92 0.85 0.50 -2.12 0.00 0.00 175.29 174.15 3a8m s ARG 174 N -2.82 4.36 0.45 2.91 3.52 -1.26 -4.74 118.95 121.37 3a8m s ARG 174 Ca 0.68 1.09 -0.21 0.00 -0.13 0.00 0.00 55.73 57.16 3a8m s ARG 174 Cb -0.35 -3.54 -0.10 0.00 -1.56 0.00 0.00 34.95 29.40 3a8m s ARG 174 CO 0.42 -0.24 1.00 -1.25 -0.81 0.00 0.00 175.30 174.42 3a8m s PRO 175 N 1.83 4.05 0.67 5.12 0.04 -1.26 -5.00 135.00 140.44 3a8m s PRO 175 Ca 0.41 1.28 -0.17 0.00 0.04 0.00 0.00 61.00 62.56 3a8m s PRO 175 Cb -0.17 -2.21 -0.02 0.00 0.04 0.00 0.00 34.50 32.14 3a8m s PRO 175 CO 0.15 -0.21 0.96 0.00 0.04 0.00 0.00 177.00 177.95 3a8m n ALA 176 N -0.67 -0.02 -0.33 8.56 0.00 -1.26 -3.08 120.51 123.71 3a8m n ALA 176 Ca 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3a8m n ALA 176 Cb 0.53 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.86 3a8m n ALA 176 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a8m n GLY 177 N 1.21 0.70 0.54 0.00 0.00 -1.26 -4.88 105.19 101.50 3a8m n GLY 177 Ca 0.14 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.22 3a8m n GLY 177 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3a8m n THR 178 N -2.00 1.52 -1.80 2.61 -2.24 -1.18 -5.00 114.28 106.19 3a8m n THR 178 Ca 0.00 -1.43 -0.42 0.00 -2.27 0.00 0.00 64.05 59.93 3a8m n THR 178 Cb 0.00 0.17 -0.03 0.00 -2.10 0.00 0.00 70.33 68.37 3a8m n THR 178 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3a8m s GLU 179 N -1.81 4.15 0.00 -0.78 8.01 -1.26 -1.62 118.70 125.39 3a8m s GLU 179 Ca 0.26 2.53 0.00 0.00 0.01 0.00 0.00 54.97 57.78 3a8m s GLU 179 Cb 0.19 -3.09 0.00 0.00 -4.31 0.00 0.00 34.13 26.92 3a8m s GLU 179 CO 0.09 -0.69 0.00 0.41 0.01 0.00 0.00 175.26 175.09 3a8m n GLY 180 N 3.58 1.94 3.72 -1.39 0.00 -1.26 -5.02 105.19 106.76 3a8m n GLY 180 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 3a8m n GLY 180 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3a8m s TRP 181 N -3.13 2.01 0.83 1.61 0.52 -0.64 -4.99 118.94 115.16 3a8m s TRP 181 Ca 0.00 1.53 -0.12 0.00 0.02 0.00 0.00 56.10 57.53 3a8m s TRP 181 Cb 0.00 -3.64 0.09 0.00 -1.15 0.00 0.00 33.47 28.77 3a8m s TRP 181 CO 0.00 -2.90 1.10 -1.54 0.02 0.00 0.00 176.95 173.63 3a8m s SER 182 N -1.58 4.16 0.31 2.95 1.04 -1.26 -4.83 113.70 114.49 3a8m s SER 182 Ca 0.80 1.30 -0.01 0.00 0.48 0.00 0.00 55.95 58.53 3a8m s SER 182 Cb -0.35 -2.01 0.50 0.00 0.10 0.00 0.00 66.02 64.26 3a8m s SER 182 CO 0.42 -2.18 1.97 1.56 0.98 0.00 0.00 173.24 175.99 3a8m h GLN 183 N -1.24 0.99 -0.61 4.02 4.20 -1.94 -0.87 115.11 119.66 3a8m h GLN 183 Ca -0.48 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.11 3a8m h GLN 183 Cb 1.28 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 28.82 3a8m h GLN 183 CO 0.59 0.67 0.19 1.49 -0.67 0.00 0.00 178.83 181.10 3a8m h GLU 184 N 1.01 0.95 -0.77 1.46 4.81 -1.98 0.11 114.58 120.17 3a8m h GLU 184 Ca 0.27 -0.20 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 3a8m h GLU 184 Cb -0.08 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.13 3a8m h GLU 184 CO -0.05 0.84 0.30 1.96 -0.73 0.00 0.00 179.01 181.33 3a8m h GLN 185 N 0.87 1.15 -0.45 1.92 4.20 -1.78 -2.79 115.11 118.23 3a8m h GLN 185 Ca 0.20 -0.21 -0.10 0.00 0.06 0.00 0.00 58.65 58.59 3a8m h GLN 185 Cb 0.29 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3a8m h GLN 185 CO -0.01 0.94 -0.12 -0.07 -0.67 0.00 0.00 178.83 178.90 3a8m h LEU 186 N 1.11 0.89 -1.44 1.46 3.38 -0.81 -2.93 115.31 116.98 3a8m h LEU 186 Ca 0.26 -0.36 0.14 0.00 0.09 0.00 0.00 57.88 58.00 3a8m h LEU 186 Cb 0.22 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.67 3a8m h LEU 186 CO -0.02 1.05 0.53 1.56 0.09 0.00 0.00 178.44 181.65 3a8m h GLN 187 N 0.72 0.54 0.00 1.13 4.20 -0.61 -2.14 115.11 118.95 3a8m h GLN 187 Ca 0.11 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 3a8m h GLN 187 Cb 0.66 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 3a8m h GLN 187 CO 0.05 0.36 -0.23 1.49 -0.67 0.00 0.00 178.83 179.83 3a8m h GLU 188 N 0.56 0.00 -0.06 1.46 4.81 -1.30 -2.14 114.58 117.92 3a8m h GLU 188 Ca 0.40 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 3a8m h GLU 188 Cb 0.74 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.12 3a8m h GLU 188 CO -0.15 0.23 0.00 0.44 -0.73 0.00 0.00 179.01 178.79 3a8m n ILE 189 N -4.24 0.04 -3.10 2.32 -5.35 -0.81 -4.72 119.36 103.51 3a8m n ILE 189 Ca -0.02 -0.42 -0.44 0.00 -0.27 0.00 0.00 62.75 61.60 3a8m n ILE 189 Cb 0.29 1.05 -0.05 0.00 -1.74 0.00 0.00 39.64 39.18 3a8m n ILE 189 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3a8m s VAL 190 N -1.96 4.79 0.48 7.28 1.01 -0.81 -4.24 120.40 126.96 3a8m s VAL 190 Ca 0.33 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.67 3a8m s VAL 190 Cb 0.20 -4.42 0.02 0.00 0.00 0.00 0.00 36.38 32.18 3a8m s VAL 190 CO 0.31 -1.01 0.67 0.42 0.00 0.00 0.00 175.10 175.49 3a8m s THR 191 N 2.81 2.82 0.24 3.92 -4.23 -1.26 -4.66 115.64 115.28 3a8m s THR 191 Ca 0.14 -0.85 -0.05 0.00 -1.18 0.00 0.00 61.69 59.75 3a8m s THR 191 Cb -0.21 -2.97 0.20 0.00 1.34 0.00 0.00 72.50 70.86 3a8m s THR 191 CO 0.09 0.00 1.74 0.50 -0.54 0.00 0.00 174.62 176.41 3a8m h LYS 192 N 0.36 0.44 0.00 3.99 3.64 -1.92 -0.66 116.57 122.43 3a8m h LYS 192 Ca -0.41 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 58.89 3a8m h LYS 192 Cb 1.29 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 3a8m h LYS 192 CO 0.48 0.29 -0.28 -0.44 -2.27 0.00 0.00 179.45 177.23 3a8m h ASP 193 N 0.45 0.00 -0.14 4.20 3.45 -1.94 -1.57 116.42 120.86 3a8m h ASP 193 Ca 0.39 0.00 -0.12 0.00 0.43 0.00 0.00 57.03 57.73 3a8m h ASP 193 Cb 0.56 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.32 3a8m h ASP 193 CO -0.38 0.28 -0.30 0.00 -1.57 0.00 0.00 179.24 177.27 3a8m h LEU 195 N 0.54 0.46 -0.47 0.00 3.38 -0.73 -2.92 115.31 115.58 3a8m h LEU 195 Ca 0.07 -0.21 -0.17 0.00 0.09 0.00 0.00 57.88 57.65 3a8m h LEU 195 Cb 0.78 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3a8m h LEU 195 CO 0.06 0.84 -0.75 0.40 0.09 0.00 0.00 178.44 179.09 3a8m h ILE 196 N 0.36 1.46 0.00 1.22 2.04 -1.26 -0.71 117.51 120.61 3a8m h ILE 196 Ca 0.03 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 63.54 3a8m h ILE 196 Cb 0.91 2.27 0.00 0.00 -0.74 0.00 0.00 36.82 39.26 3a8m h ILE 196 CO 0.08 0.69 0.00 0.61 0.00 0.00 0.00 178.15 179.52 3a8m n GLY 197 N 0.59 0.73 0.06 5.37 0.00 -0.39 -1.12 105.19 110.42 3a8m n GLY 197 Ca -0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.12 3a8m n GLY 197 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3a8m n VAL 198 N -1.09 0.32 -4.36 1.61 0.24 -0.79 -4.62 118.33 109.64 3a8m n VAL 198 Ca 0.00 -0.20 -0.25 0.00 -2.04 0.00 0.00 64.34 61.85 3a8m n VAL 198 Cb 0.00 -0.24 -0.12 0.00 -1.47 0.00 0.00 33.84 32.01 3a8m n VAL 198 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a8m s ALA 199 N -3.10 2.18 -0.13 2.33 0.00 -0.99 -4.64 121.76 117.41 3a8m s ALA 199 Ca 0.09 -1.48 -0.05 0.00 0.00 0.00 0.00 51.96 50.53 3a8m s ALA 199 Cb 0.14 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 3a8m s ALA 199 CO 0.66 0.38 0.05 0.42 0.00 0.00 0.00 175.76 177.26 3a8m s ILE 200 N -1.56 4.71 0.30 0.00 1.01 -1.26 -4.15 121.20 120.25 3a8m s ILE 200 Ca 0.15 -0.08 -0.29 0.00 0.00 0.00 0.00 60.65 60.42 3a8m s ILE 200 Cb -0.08 -3.05 -0.13 0.00 0.01 0.00 0.00 42.46 39.21 3a8m s ILE 200 CO 0.07 0.56 1.36 -2.65 0.00 0.00 0.00 174.94 174.28 3a8m n PRO 201 N 2.61 2.16 -4.87 2.79 -0.02 -1.26 -4.98 135.00 131.43 3a8m n PRO 201 Ca -0.18 0.76 -0.33 0.00 -2.02 0.00 0.00 63.50 61.73 3a8m n PRO 201 Cb 0.53 -2.39 -0.14 0.00 -0.02 0.00 0.00 33.50 31.48 3a8m n PRO 201 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3a8m s GLN 202 N -1.25 2.78 -0.26 -0.52 -1.52 -1.26 -4.79 119.66 112.85 3a8m s GLN 202 Ca 0.60 -0.70 -0.10 0.00 -1.95 0.00 0.00 55.36 53.22 3a8m s GLN 202 Cb -0.59 -2.45 -0.04 0.00 -0.22 0.00 0.00 33.01 29.71 3a8m s GLN 202 CO 0.57 0.49 0.15 0.08 -0.25 0.00 0.00 175.29 176.32 3a8m s VAL 203 N -0.38 5.06 0.74 1.09 1.01 -1.26 -4.87 120.40 121.78 3a8m s VAL 203 Ca 0.04 0.08 -0.16 0.00 0.00 0.00 0.00 61.98 61.94 3a8m s VAL 203 Cb -0.12 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 3a8m s VAL 203 CO 0.02 0.31 0.63 -2.65 0.00 0.00 0.00 175.10 173.40 3a8m n PRO 204 N 4.75 0.29 0.00 2.72 -0.02 -1.26 -5.16 135.00 136.32 3a8m n PRO 204 Ca -0.15 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 3a8m n PRO 204 Cb 0.52 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 3a8m n PRO 204 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89