#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g0m h ALA 2 N 0.00 1.54 0.00 3.04 0.00 -2.00 -1.75 119.26 120.10 3g0m h ALA 2 Ca 0.00 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3g0m h ALA 2 Cb 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3g0m h ALA 2 CO 0.00 0.11 -0.32 0.00 0.00 0.00 0.00 179.25 179.04 3g0m h ALA 3 N 1.57 1.37 -2.39 0.00 0.00 -2.07 -3.45 119.26 114.29 3g0m h ALA 3 Ca 0.52 -0.29 -0.51 0.00 0.00 0.00 0.00 54.91 54.63 3g0m h ALA 3 Cb 0.64 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3g0m h ALA 3 CO -0.31 0.40 -0.13 -0.51 0.00 0.00 0.00 179.25 178.70 3g0m s LEU 4 N -8.02 4.02 0.49 0.00 1.43 -0.66 -5.07 118.68 110.87 3g0m s LEU 4 Ca -0.03 0.69 -0.23 0.00 -1.03 0.00 0.00 54.13 53.53 3g0m s LEU 4 Cb 0.14 -3.52 -0.06 0.00 0.03 0.00 0.00 46.19 42.78 3g0m s LEU 4 CO 0.70 -0.24 1.30 -2.84 0.23 0.00 0.00 176.35 175.50 3g0m s PRO 5 N -3.77 3.50 0.95 1.29 0.02 -1.26 -4.96 135.00 130.76 3g0m s PRO 5 Ca 0.43 2.11 -0.12 0.00 0.02 0.00 0.00 61.00 63.44 3g0m s PRO 5 Cb -0.10 -2.42 0.16 0.00 0.02 0.00 0.00 34.50 32.16 3g0m s PRO 5 CO 0.32 -0.87 1.10 0.16 -0.33 0.00 0.00 177.00 177.39 3g0m s ASP 6 N -0.99 3.04 0.41 2.53 1.47 -1.26 -4.66 116.67 117.21 3g0m s ASP 6 Ca 0.66 1.19 0.12 0.00 1.18 0.00 0.00 52.55 55.70 3g0m s ASP 6 Cb -0.37 -1.85 0.86 0.00 -0.34 0.00 0.00 42.92 41.23 3g0m s ASP 6 CO 0.45 -2.87 1.94 0.07 0.68 0.00 0.00 175.17 175.44 3g0m h LYS 7 N -1.71 0.13 -0.54 2.11 2.10 -1.93 -0.67 116.57 116.06 3g0m h LYS 7 Ca -0.52 -0.03 -0.10 0.00 -2.00 0.00 0.00 60.65 58.00 3g0m h LYS 7 Cb 1.32 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 32.61 3g0m h LYS 7 CO 0.58 0.30 -0.05 0.93 -2.00 0.00 0.00 179.45 179.21 3g0m h GLU 8 N 0.12 0.98 -0.45 0.07 4.39 -1.95 -1.80 114.58 115.94 3g0m h GLU 8 Ca 0.02 -0.34 -0.14 0.00 0.34 0.00 0.00 59.36 59.25 3g0m h GLU 8 Cb 0.38 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 3g0m h GLU 8 CO 0.02 1.01 -0.26 -0.22 -1.16 0.00 0.00 179.01 178.40 3g0m h LYS 9 N 0.85 0.96 -0.14 2.33 3.64 -1.77 -2.37 116.57 120.07 3g0m h LYS 9 Ca 0.15 -0.43 -0.00 0.00 -1.27 0.00 0.00 60.65 59.10 3g0m h LYS 9 Cb 0.60 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 3g0m h LYS 9 CO 0.04 1.10 0.09 1.25 -2.27 0.00 0.00 179.45 179.65 3g0m h LEU 10 N 0.82 0.17 -0.17 5.20 5.85 -1.00 -0.81 115.31 125.37 3g0m h LEU 10 Ca 0.10 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 3g0m h LEU 10 Cb 0.83 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 3g0m h LEU 10 CO 0.07 0.15 0.09 0.25 -0.34 0.00 0.00 178.44 178.67 3g0m h LEU 11 N 0.17 0.21 -0.53 2.25 5.85 -1.30 -1.79 115.31 120.17 3g0m h LEU 11 Ca 0.05 -0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.78 3g0m h LEU 11 Cb 0.01 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 40.92 3g0m h LEU 11 CO -0.01 0.23 0.12 -0.09 -0.34 0.00 0.00 178.44 178.34 3g0m h ARG 12 N 0.17 0.25 -0.47 1.25 9.65 -1.28 -1.53 114.38 122.42 3g0m h ARG 12 Ca 0.06 -0.02 -0.07 0.00 -1.10 0.00 0.00 59.98 58.85 3g0m h ARG 12 Cb 0.06 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.57 3g0m h ARG 12 CO -0.01 0.17 0.03 -0.91 2.80 0.00 0.00 179.97 182.04 3g0m h ASN 13 N 0.26 0.79 -0.77 -3.80 2.35 -0.92 -1.90 115.58 111.60 3g0m h ASN 13 Ca 0.27 -0.29 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 3g0m h ASN 13 Cb 0.37 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.49 3g0m h ASN 13 CO -0.34 0.89 0.42 -0.26 -1.65 0.00 0.00 177.43 176.49 3g0m h PHE 14 N 0.67 1.07 0.00 1.19 0.04 -0.97 -2.17 116.94 116.78 3g0m h PHE 14 Ca 0.14 -0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.85 3g0m h PHE 14 Cb 0.47 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 3g0m h PHE 14 CO 0.03 0.75 -0.17 1.79 -0.60 0.00 0.00 178.31 180.11 3g0m h THR 15 N 1.09 0.56 -0.00 -1.55 1.35 -0.52 -2.17 112.91 111.67 3g0m h THR 15 Ca 0.28 -0.82 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 3g0m h THR 15 Cb 0.03 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 3g0m h THR 15 CO -0.04 0.17 -0.18 0.54 -0.25 0.00 0.00 175.52 175.76 3g0m n ARG 16 N -3.52 0.38 -2.06 4.72 5.12 -0.83 -4.89 116.66 115.57 3g0m n ARG 16 Ca -0.01 -0.13 -0.41 0.00 -1.93 0.00 0.00 57.85 55.36 3g0m n ARG 16 Cb 0.33 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 30.11 3g0m n ARG 16 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3g0m h ALA 18 N 4.66 0.98 -2.21 0.00 0.00 -1.90 -3.48 119.26 117.31 3g0m h ALA 18 Ca -0.47 -0.03 0.22 0.00 0.00 0.00 0.00 54.91 54.63 3g0m h ALA 18 Cb 1.22 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.93 3g0m h ALA 18 CO 0.74 0.04 0.63 0.54 0.00 0.00 0.00 179.25 181.21 3g0m s ASN 19 N -6.12 -0.07 0.33 0.00 2.20 -1.26 -5.03 114.94 104.98 3g0m s ASN 19 Ca 0.06 -0.43 0.01 0.00 -0.94 0.00 0.00 52.86 51.56 3g0m s ASN 19 Cb 0.06 0.39 0.55 0.00 -2.00 0.00 0.00 41.25 40.26 3g0m s ASN 19 CO 0.65 -0.75 1.93 -0.25 -2.94 0.00 0.00 177.10 175.74 3g0m h TRP 20 N 2.00 0.78 -0.72 1.54 -0.00 -1.98 -1.96 115.95 115.61 3g0m h TRP 20 Ca -0.27 -0.02 0.11 0.00 -0.00 0.00 0.00 58.89 58.72 3g0m h TRP 20 Cb 1.22 -0.25 -0.08 0.00 -0.00 0.00 0.00 29.16 30.05 3g0m h TRP 20 CO 0.83 0.58 0.32 0.93 -0.00 0.00 0.00 178.44 181.10 3g0m h GLU 21 N 0.80 0.51 -0.17 2.65 3.07 -1.99 0.14 114.58 119.58 3g0m h GLU 21 Ca 0.20 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.36 58.93 3g0m h GLU 21 Cb 0.08 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 27.88 3g0m h GLU 21 CO -0.03 0.34 -0.26 1.49 -1.40 0.00 0.00 179.01 179.14 3g0m h GLU 22 N 0.52 0.49 -0.81 2.33 4.81 -1.86 -2.68 114.58 117.37 3g0m h GLU 22 Ca 0.37 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 3g0m h GLU 22 Cb 0.47 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 3g0m h GLU 22 CO -0.32 0.89 0.47 0.87 -0.73 0.00 0.00 179.01 180.18 3g0m h LYS 23 N 0.13 1.11 -0.62 1.92 1.57 -0.94 -0.99 116.57 118.74 3g0m h LYS 23 Ca 0.02 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3g0m h LYS 23 Cb 0.84 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.90 3g0m h LYS 23 CO 0.06 0.80 0.34 -0.92 -0.57 0.00 0.00 179.45 179.16 3g0m h TYR 24 N 1.11 0.86 -0.52 -1.35 3.20 -0.77 0.22 116.97 119.72 3g0m h TYR 24 Ca 0.29 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.05 3g0m h TYR 24 Cb -0.01 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 37.97 3g0m h TYR 24 CO -0.00 0.62 -0.02 -0.07 -1.64 0.00 0.00 178.16 177.05 3g0m h LEU 25 N 0.85 0.87 -0.24 2.82 3.38 -1.12 -1.80 115.31 120.07 3g0m h LEU 25 Ca 0.22 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3g0m h LEU 25 Cb 0.05 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3g0m h LEU 25 CO -0.03 0.94 0.15 0.22 0.09 0.00 0.00 178.44 179.81 3g0m h TYR 26 N 0.82 0.30 -0.26 1.13 3.20 -0.80 -0.31 116.97 121.06 3g0m h TYR 26 Ca 0.15 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.05 3g0m h TYR 26 Cb 0.51 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.65 3g0m h TYR 26 CO 0.03 0.21 0.08 0.82 -1.64 0.00 0.00 178.16 177.66 3g0m h ILE 27 N 0.31 0.92 -0.34 1.81 2.04 -0.58 0.66 117.51 122.33 3g0m h ILE 27 Ca 0.09 -0.07 0.04 0.00 1.00 0.00 0.00 64.86 65.92 3g0m h ILE 27 Cb -0.02 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 3g0m h ILE 27 CO -0.02 0.04 0.13 0.40 0.00 0.00 0.00 178.15 178.69 3g0m h ILE 28 N 0.20 0.91 -0.65 -0.67 1.08 -1.19 -1.50 117.51 115.69 3g0m h ILE 28 Ca 0.12 -0.09 -0.02 0.00 -0.39 0.00 0.00 64.86 64.47 3g0m h ILE 28 Cb 0.09 0.61 -0.03 0.00 -3.07 0.00 0.00 36.82 34.42 3g0m h ILE 28 CO -0.13 0.05 0.33 -0.33 -0.69 0.00 0.00 178.15 177.38 3g0m h GLU 29 N 0.28 0.93 -0.77 2.37 4.39 -0.61 -2.53 114.58 118.63 3g0m h GLU 29 Ca 0.15 -0.13 0.01 0.00 0.34 0.00 0.00 59.36 59.74 3g0m h GLU 29 Cb 0.12 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.56 3g0m h GLU 29 CO -0.15 0.73 0.51 -0.07 -1.16 0.00 0.00 179.01 178.86 3g0m h LEU 30 N 0.90 0.87 -1.22 1.33 3.38 -0.47 -2.44 115.31 117.65 3g0m h LEU 30 Ca 0.23 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 3g0m h LEU 30 Cb 0.10 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3g0m h LEU 30 CO -0.03 0.62 0.14 1.23 0.09 0.00 0.00 178.44 180.49 3g0m h GLY 31 N 1.02 0.74 2.00 0.83 0.00 -0.89 -1.85 103.07 104.92 3g0m h GLY 31 Ca 0.29 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3g0m h GLY 31 CO -0.07 0.36 0.00 1.46 0.00 0.00 0.00 176.54 178.29 3g0m h GLN 32 N 0.67 0.00 -0.05 4.80 4.20 -1.04 -2.93 115.11 120.76 3g0m h GLN 32 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3g0m h GLN 32 Cb 0.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.98 3g0m h GLN 32 CO -0.01 0.00 0.00 0.54 -0.67 0.00 0.00 178.83 178.69 3g0m n ARG 33 N -2.79 1.94 -2.08 1.46 1.74 -0.70 -4.92 116.66 111.32 3g0m n ARG 33 Ca 0.01 -1.38 -0.38 0.00 -0.77 0.00 0.00 57.85 55.33 3g0m n ARG 33 Cb 0.25 -1.47 0.01 0.00 -1.02 0.00 0.00 32.46 30.22 3g0m n ARG 33 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3g0m s LEU 34 N -1.94 4.00 0.50 0.55 1.43 -1.11 -4.88 118.68 117.23 3g0m s LEU 34 Ca 0.34 2.51 -0.23 0.00 -1.03 0.00 0.00 54.13 55.71 3g0m s LEU 34 Cb 0.20 -4.19 -0.06 0.00 0.03 0.00 0.00 46.19 42.17 3g0m s LEU 34 CO 0.32 -1.11 1.36 0.00 0.23 0.00 0.00 176.35 177.15 3g0m s ALA 35 N -1.42 3.00 0.25 4.21 0.00 -1.26 -4.95 121.76 121.59 3g0m s ALA 35 Ca 0.65 1.34 -0.31 0.00 0.00 0.00 0.00 51.96 53.64 3g0m s ALA 35 Cb -0.34 -3.55 -0.11 0.00 0.00 0.00 0.00 23.12 19.11 3g0m s ALA 35 CO 0.41 -1.22 1.63 -1.21 0.00 0.00 0.00 175.76 175.37 3g0m s GLU 36 N -2.69 4.14 0.21 0.00 2.02 -1.26 -4.73 118.70 116.39 3g0m s GLU 36 Ca 0.66 2.55 -0.30 0.00 0.02 0.00 0.00 54.97 57.91 3g0m s GLU 36 Cb -0.40 -3.06 -0.08 0.00 0.10 0.00 0.00 34.13 30.68 3g0m s GLU 36 CO 0.49 -0.66 1.18 -1.17 0.02 0.00 0.00 175.26 175.13 3g0m s LEU 37 N 0.23 4.47 0.19 1.80 2.96 -1.26 -4.99 118.68 122.08 3g0m s LEU 37 Ca 0.68 2.27 -0.33 0.00 -0.22 0.00 0.00 54.13 56.52 3g0m s LEU 37 Cb -0.48 -3.61 -0.13 0.00 0.50 0.00 0.00 46.19 42.47 3g0m s LEU 37 CO 0.41 -0.33 1.56 -3.20 -1.32 0.00 0.00 176.35 173.47 3g0m n ASN 38 N 2.13 3.20 0.21 3.68 2.85 -1.26 -4.86 115.26 121.21 3g0m n ASN 38 Ca 0.03 1.10 0.15 0.00 -0.11 0.00 0.00 54.58 55.75 3g0m n ASN 38 Cb 0.44 -1.46 0.80 0.00 1.24 0.00 0.00 39.78 40.81 3g0m n ASN 38 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3g0m h PRO 39 N 5.62 0.00 0.00 1.20 0.13 -1.97 -0.42 132.00 136.56 3g0m h PRO 39 Ca -0.45 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.63 3g0m h PRO 39 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 3g0m h PRO 39 CO 0.86 0.00 -0.23 -0.56 -0.23 0.00 0.00 178.00 177.85 3g0m h GLN 40 N 0.00 0.00 0.00 0.86 3.07 -2.04 -2.15 115.11 114.85 3g0m h GLN 40 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.81 3g0m h GLN 40 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.91 3g0m h GLN 40 CO -0.00 0.23 -0.15 -0.25 0.09 0.00 0.00 178.83 178.74 3g0m n ASP 41 N -3.85 0.26 -3.99 0.06 8.00 -0.17 -4.08 116.55 112.78 3g0m n ASP 41 Ca -0.02 0.31 -0.42 0.00 0.71 0.00 0.00 54.79 55.38 3g0m n ASP 41 Cb 0.32 -0.32 -0.00 0.00 -0.02 0.00 0.00 41.12 41.09 3g0m n ASP 41 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3g0m n ARG 42 N -1.63 2.84 -4.33 -1.24 1.74 -0.81 -4.61 116.66 108.63 3g0m n ARG 42 Ca 0.06 -2.75 -0.17 0.00 -0.77 0.00 0.00 57.85 54.22 3g0m n ARG 42 Cb 0.36 -3.34 -0.10 0.00 -1.02 0.00 0.00 32.46 28.36 3g0m n ARG 42 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3g0m s ASN 43 N 3.67 2.35 0.55 0.55 2.20 -1.26 -5.05 114.94 117.96 3g0m s ASN 43 Ca 0.50 -1.04 0.24 0.00 -0.94 0.00 0.00 52.86 51.62 3g0m s ASN 43 Cb 0.11 -0.10 1.46 0.00 -2.00 0.00 0.00 41.25 40.72 3g0m s ASN 43 CO -0.02 -0.24 2.07 -0.65 -2.94 0.00 0.00 177.10 175.32 3g0m h PRO 44 N 2.59 0.00 0.00 3.55 0.11 -1.95 -0.39 132.00 135.91 3g0m h PRO 44 Ca -0.38 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.70 3g0m h PRO 44 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3g0m h PRO 44 CO 0.63 0.00 -0.16 1.96 -0.21 0.00 0.00 178.00 180.22 3g0m h GLN 45 N 0.00 0.00 -0.26 1.05 7.50 -1.96 -2.87 115.11 118.56 3g0m h GLN 45 Ca 0.13 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.28 3g0m h GLN 45 Cb 0.58 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.11 3g0m h GLN 45 CO -0.00 0.16 0.00 0.09 -1.50 0.00 0.00 178.83 177.58 3g0m n ASN 46 N -3.70 3.00 -4.74 1.46 3.02 -0.17 -4.98 115.26 109.14 3g0m n ASN 46 Ca -0.02 -1.88 -0.41 0.00 -0.03 0.00 0.00 54.58 52.25 3g0m n ASN 46 Cb 0.28 -0.17 -0.05 0.00 -0.61 0.00 0.00 39.78 39.23 3g0m n ASN 46 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3g0m s THR 47 N -1.33 4.06 -0.11 3.41 2.01 -1.09 -1.26 115.64 121.33 3g0m s THR 47 Ca 0.29 1.89 -0.01 0.00 0.31 0.00 0.00 61.69 64.18 3g0m s THR 47 Cb 0.18 -4.20 -0.02 0.00 0.01 0.00 0.00 72.50 68.46 3g0m s THR 47 CO 0.25 0.38 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.84 3g0m s ILE 48 N -0.62 3.46 0.05 1.82 -1.09 -0.38 -4.91 121.20 119.53 3g0m s ILE 48 Ca 0.45 -0.53 0.00 0.00 -2.23 0.00 0.00 60.65 58.34 3g0m s ILE 48 Cb -0.27 -2.46 -0.04 0.00 -1.58 0.00 0.00 42.46 38.12 3g0m s ILE 48 CO 0.33 0.54 0.16 -1.00 -1.23 0.00 0.00 174.94 173.74 3g0m s HIS 49 N -0.04 3.42 0.00 3.97 3.76 -1.26 -4.46 115.29 120.68 3g0m s HIS 49 Ca -0.01 0.22 0.00 0.00 -0.15 0.00 0.00 55.06 55.12 3g0m s HIS 49 Cb -0.14 -1.74 0.00 0.00 1.11 0.00 0.00 32.58 31.82 3g0m s HIS 49 CO 0.03 0.58 0.00 0.41 -0.85 0.00 0.00 174.74 174.91 3g0m n GLY 50 N 0.54 0.86 1.06 -2.22 0.00 -1.26 -4.81 105.19 99.37 3g0m n GLY 50 Ca -0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.06 3g0m n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g0m n GLN 52 N 1.33 -2.45 -3.76 0.00 6.02 -1.26 -4.79 117.38 112.48 3g0m n GLN 52 Ca 0.19 0.34 -0.09 0.00 -0.01 0.00 0.00 57.00 57.43 3g0m n GLN 52 Cb 0.57 -4.86 -0.03 0.00 1.02 0.00 0.00 30.24 26.95 3g0m n GLN 52 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3g0m s SER 53 N -1.98 -0.31 -0.05 1.08 1.04 -1.26 -5.08 113.70 107.13 3g0m s SER 53 Ca 0.00 -0.48 -0.30 0.00 0.48 0.00 0.00 55.95 55.65 3g0m s SER 53 Cb 0.00 0.66 -0.02 0.00 0.10 0.00 0.00 66.02 66.76 3g0m s SER 53 CO 0.00 -1.20 1.04 -1.10 0.98 0.00 0.00 173.24 172.97 3g0m s GLN 54 N -3.88 4.46 -0.04 4.02 -0.21 -1.26 -4.93 119.66 117.81 3g0m s GLN 54 Ca 0.09 1.47 -0.02 0.00 0.02 0.00 0.00 55.36 56.93 3g0m s GLN 54 Cb -0.04 -3.50 0.03 0.00 1.00 0.00 0.00 33.01 30.50 3g0m s GLN 54 CO 0.01 -0.25 0.10 0.08 -2.12 0.00 0.00 175.29 173.11 3g0m s VAL 55 N 1.65 -0.05 -0.03 1.09 1.01 -1.26 -1.85 120.40 120.96 3g0m s VAL 55 Ca 0.51 0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.70 3g0m s VAL 55 Cb -0.21 -0.17 -0.00 0.00 0.00 0.00 0.00 36.38 36.00 3g0m s VAL 55 CO 0.23 0.07 -0.16 0.26 0.00 0.00 0.00 175.10 175.50 3g0m s TRP 56 N 0.97 1.52 -0.03 5.22 0.51 -0.44 -1.25 118.94 125.43 3g0m s TRP 56 Ca -0.08 -0.39 0.00 0.00 -2.12 0.00 0.00 56.10 53.52 3g0m s TRP 56 Cb -0.10 -1.02 0.03 0.00 -0.81 0.00 0.00 33.47 31.57 3g0m s TRP 56 CO -0.04 -0.12 -0.00 0.42 -0.51 0.00 0.00 176.95 176.70 3g0m s ILE 57 N -0.05 0.19 -0.07 2.03 1.01 -0.39 -1.55 121.20 122.38 3g0m s ILE 57 Ca -0.01 0.08 0.04 0.00 0.00 0.00 0.00 60.65 60.76 3g0m s ILE 57 Cb -0.10 -0.28 -0.02 0.00 0.01 0.00 0.00 42.46 42.08 3g0m s ILE 57 CO 0.01 0.15 -0.20 0.54 0.00 0.00 0.00 174.94 175.44 3g0m s VAL 58 N 1.01 2.52 -0.06 2.92 0.11 0.36 -4.68 120.40 122.57 3g0m s VAL 58 Ca -0.10 -0.90 0.06 0.00 -2.93 0.00 0.00 61.98 58.11 3g0m s VAL 58 Cb -0.14 -1.96 -0.01 0.00 -1.53 0.00 0.00 36.38 32.74 3g0m s VAL 58 CO -0.02 0.57 -0.24 -0.32 -3.33 0.00 0.00 175.10 171.76 3g0m s MET 59 N -0.25 2.63 -0.00 1.54 1.75 -1.26 -1.98 119.30 121.72 3g0m s MET 59 Ca -0.00 -0.89 0.00 0.00 -1.25 0.00 0.00 55.69 53.55 3g0m s MET 59 Cb -0.13 -2.20 0.00 0.00 2.84 0.00 0.00 34.83 35.34 3g0m s MET 59 CO 0.03 0.36 -0.01 1.03 -0.65 0.00 0.00 175.02 175.78 3g0m s ARG 60 N -0.10 0.08 -0.28 4.11 0.52 -0.79 -5.00 118.95 117.48 3g0m s ARG 60 Ca -0.05 -0.01 -0.15 0.00 -0.52 0.00 0.00 55.73 55.00 3g0m s ARG 60 Cb -0.14 -0.10 -0.04 0.00 0.52 0.00 0.00 34.95 35.19 3g0m s ARG 60 CO 0.04 0.00 0.35 0.50 0.02 0.00 0.00 175.30 176.22 3g0m s ARG 61 N 0.10 3.97 0.85 3.54 3.52 -1.26 -0.69 118.95 128.97 3g0m s ARG 61 Ca -0.01 -0.04 -0.12 0.00 -0.13 0.00 0.00 55.73 55.44 3g0m s ARG 61 Cb -0.02 -3.67 0.10 0.00 -1.56 0.00 0.00 34.95 29.80 3g0m s ARG 61 CO -0.00 -0.29 1.12 0.54 -0.81 0.00 0.00 175.30 175.86 3g0m s ASN 62 N 1.66 4.05 0.33 -2.12 2.20 -0.35 -4.88 114.94 115.84 3g0m s ASN 62 Ca 0.14 1.08 0.24 0.00 -0.94 0.00 0.00 52.86 53.38 3g0m s ASN 62 Cb -0.16 -1.72 1.20 0.00 -2.00 0.00 0.00 41.25 38.57 3g0m s ASN 62 CO 0.10 -2.22 1.73 0.00 -2.94 0.00 0.00 177.10 173.77 3g0m h ALA 63 N -1.27 1.00 -0.00 3.54 0.00 -1.98 0.86 119.26 121.41 3g0m h ALA 63 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3g0m h ALA 63 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3g0m h ALA 63 CO 0.61 0.00 -0.07 0.09 0.00 0.00 0.00 179.25 179.89 3g0m n ASN 64 N -2.33 0.49 0.00 0.00 3.02 -1.26 -4.93 115.26 110.25 3g0m n ASN 64 Ca -0.00 -0.75 0.00 0.00 -0.03 0.00 0.00 54.58 53.79 3g0m n ASN 64 Cb 0.10 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 3g0m n ASN 64 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3g0m n GLY 65 N 1.21 0.75 3.87 7.41 0.00 0.30 -5.05 105.19 113.68 3g0m n GLY 65 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 3g0m n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3g0m s ILE 66 N -2.56 5.25 -0.05 -0.61 -1.09 -1.26 -4.33 121.20 116.55 3g0m s ILE 66 Ca 0.00 0.40 -0.26 0.00 -2.23 0.00 0.00 60.65 58.56 3g0m s ILE 66 Cb 0.00 -3.58 -0.03 0.00 -1.58 0.00 0.00 42.46 37.27 3g0m s ILE 66 CO 0.00 0.48 0.80 -0.63 -1.23 0.00 0.00 174.94 174.35 3g0m s ILE 67 N -1.19 4.98 -0.15 2.92 -1.09 0.16 -1.21 121.20 125.62 3g0m s ILE 67 Ca 0.24 1.66 -0.02 0.00 -2.23 0.00 0.00 60.65 60.30 3g0m s ILE 67 Cb -0.14 -4.14 -0.02 0.00 -1.58 0.00 0.00 42.46 36.58 3g0m s ILE 67 CO 0.13 0.22 -0.08 -1.61 -1.23 0.00 0.00 174.94 172.37 3g0m s GLU 68 N 0.90 3.52 -0.10 2.79 2.02 0.13 -4.45 118.70 123.50 3g0m s GLU 68 Ca 0.42 -0.60 0.01 0.00 0.02 0.00 0.00 54.97 54.82 3g0m s GLU 68 Cb -0.19 -2.81 -0.02 0.00 0.10 0.00 0.00 34.13 31.21 3g0m s GLU 68 CO 0.21 0.17 -0.13 -0.51 0.02 0.00 0.00 175.26 175.03 3g0m s LEU 69 N 0.51 2.77 0.15 1.80 1.43 -1.26 -1.89 118.68 122.19 3g0m s LEU 69 Ca -0.06 -0.25 0.05 0.00 -1.03 0.00 0.00 54.13 52.84 3g0m s LEU 69 Cb -0.15 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 3g0m s LEU 69 CO 0.03 0.24 -0.10 -1.10 0.23 0.00 0.00 176.35 175.65 3g0m s GLN 70 N -0.10 1.07 -0.01 1.70 -0.21 -0.84 -5.00 119.66 116.27 3g0m s GLN 70 Ca -0.02 -1.45 -0.21 0.00 0.02 0.00 0.00 55.36 53.71 3g0m s GLN 70 Cb -0.14 -0.65 0.07 0.00 1.00 0.00 0.00 33.01 33.29 3g0m s GLN 70 CO 0.04 0.08 0.95 0.41 -2.12 0.00 0.00 175.29 174.65 3g0m n GLY 71 N -0.17 0.34 3.48 3.09 0.00 -1.26 -0.49 105.19 110.18 3g0m n GLY 71 Ca -0.10 -1.00 -0.11 0.00 0.00 0.00 0.00 46.02 44.81 3g0m n GLY 71 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3g0m s ASP 72 N -3.11 -0.47 0.00 1.61 2.15 -0.59 -4.47 116.67 111.80 3g0m s ASP 72 Ca 0.22 0.07 -0.16 0.00 0.43 0.00 0.00 52.55 53.12 3g0m s ASP 72 Cb -0.01 0.47 0.03 0.00 -0.30 0.00 0.00 42.92 43.11 3g0m s ASP 72 CO -0.00 -0.74 0.33 -0.55 -0.17 0.00 0.00 175.17 174.04 3g0m s SER 73 N -2.43 -0.20 0.00 -0.34 0.15 -1.26 -1.33 113.70 108.29 3g0m s SER 73 Ca 0.02 0.05 0.31 0.00 0.70 0.00 0.00 55.95 57.03 3g0m s SER 73 Cb -0.01 0.34 1.78 0.00 -1.71 0.00 0.00 66.02 66.42 3g0m s SER 73 CO -0.09 -0.51 2.16 -0.90 1.20 0.00 0.00 173.24 175.11 3g0m n ASP 74 N 1.05 0.20 -4.36 5.45 5.75 -0.77 -4.64 116.55 119.24 3g0m n ASP 74 Ca -0.21 -1.05 -0.34 0.00 -0.01 0.00 0.00 54.79 53.19 3g0m n ASP 74 Cb 0.57 -0.01 -0.14 0.00 -1.03 0.00 0.00 41.12 40.52 3g0m n ASP 74 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3g0m s ALA 75 N -2.01 2.78 0.19 2.12 0.00 -1.26 -4.97 121.76 118.60 3g0m s ALA 75 Ca 0.46 -1.01 -0.12 0.00 0.00 0.00 0.00 51.96 51.29 3g0m s ALA 75 Cb 0.22 -1.50 0.12 0.00 0.00 0.00 0.00 23.12 21.96 3g0m s ALA 75 CO 0.37 -0.08 1.84 0.00 0.00 0.00 0.00 175.76 177.89 3g0m h ALA 76 N 7.37 0.78 -0.58 0.00 0.00 -2.00 -0.87 119.26 123.97 3g0m h ALA 76 Ca -0.34 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 3g0m h ALA 76 Cb 1.18 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3g0m h ALA 76 CO 0.59 0.17 0.08 0.97 0.00 0.00 0.00 179.25 181.06 3g0m h ILE 77 N 0.79 1.25 -0.43 0.00 6.09 -1.94 -1.79 117.51 121.47 3g0m h ILE 77 Ca 0.23 -0.97 -0.03 0.00 -1.37 0.00 0.00 64.86 62.72 3g0m h ILE 77 Cb -0.04 0.72 -0.02 0.00 0.47 0.00 0.00 36.82 37.95 3g0m h ILE 77 CO -0.07 0.36 0.14 0.58 -3.07 0.00 0.00 178.15 176.09 3g0m h VAL 78 N 0.88 1.22 -0.62 2.19 2.07 -1.86 -0.44 116.25 119.69 3g0m h VAL 78 Ca 0.18 -0.71 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 3g0m h VAL 78 Cb 0.41 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3g0m h VAL 78 CO 0.01 0.26 0.27 0.50 0.02 0.00 0.00 177.57 178.62 3g0m h LYS 79 N 0.56 0.90 -0.34 1.57 3.64 -1.03 0.33 116.57 122.21 3g0m h LYS 79 Ca 0.14 -0.13 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 3g0m h LYS 79 Cb 0.25 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3g0m h LYS 79 CO -0.01 0.72 -0.08 0.78 -2.27 0.00 0.00 179.45 178.59 3g0m h GLY 80 N 0.99 0.71 0.82 5.01 0.00 -0.94 -0.49 103.07 109.16 3g0m h GLY 80 Ca 0.21 -0.59 0.05 0.00 0.00 0.00 0.00 47.33 47.01 3g0m h GLY 80 CO -0.02 0.53 0.60 1.41 0.00 0.00 0.00 176.54 179.06 3g0m h LEU 81 N 0.44 0.98 -0.55 3.11 3.38 -0.72 -0.33 115.31 121.61 3g0m h LEU 81 Ca 0.08 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.09 3g0m h LEU 81 Cb 0.59 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 3g0m h LEU 81 CO 0.03 0.65 0.31 -0.03 0.09 0.00 0.00 178.44 179.50 3g0m h MET 82 N 1.13 0.60 -0.82 1.13 4.05 -0.13 -1.64 114.93 119.24 3g0m h MET 82 Ca 0.38 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.77 3g0m h MET 82 Cb 0.07 -0.13 -0.04 0.00 -0.80 0.00 0.00 31.60 30.70 3g0m h MET 82 CO -0.14 0.39 0.52 0.00 0.23 0.00 0.00 176.91 177.91 3g0m h ALA 83 N 1.27 1.05 -0.37 0.39 0.00 -0.11 0.19 119.26 121.67 3g0m h ALA 83 Ca 0.23 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.11 3g0m h ALA 83 Cb 0.08 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 3g0m h ALA 83 CO -0.13 0.49 0.13 0.28 0.00 0.00 0.00 179.25 180.02 3g0m h VAL 84 N 1.12 0.90 -0.35 0.00 2.07 -0.67 -1.00 116.25 118.32 3g0m h VAL 84 Ca 0.30 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.73 3g0m h VAL 84 Cb -0.08 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 3g0m h VAL 84 CO -0.06 0.05 0.22 0.58 0.02 0.00 0.00 177.57 178.39 3g0m h VAL 85 N 0.29 1.07 -0.61 2.57 2.07 -0.88 -0.50 116.25 120.27 3g0m h VAL 85 Ca 0.17 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.57 3g0m h VAL 85 Cb 0.14 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 3g0m h VAL 85 CO -0.17 0.08 0.36 -0.26 0.02 0.00 0.00 177.57 177.60 3g0m h PHE 86 N 0.46 0.66 0.06 1.57 -1.00 -0.77 -1.46 116.94 116.46 3g0m h PHE 86 Ca 0.13 0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.94 3g0m h PHE 86 Cb -0.04 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.30 3g0m h PHE 86 CO -0.06 0.35 -0.10 0.82 -1.61 0.00 0.00 178.31 177.71 3g0m h ILE 87 N 0.69 0.76 -0.91 -0.55 2.04 -0.72 -1.18 117.51 117.63 3g0m h ILE 87 Ca 0.26 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.34 3g0m h ILE 87 Cb 0.09 0.76 -0.12 0.00 -0.74 0.00 0.00 36.82 36.80 3g0m h ILE 87 CO -0.13 0.00 0.43 -0.07 0.00 0.00 0.00 178.15 178.38 3g0m h LEU 88 N -0.21 0.40 -1.64 1.44 3.38 -0.56 -2.20 115.31 115.92 3g0m h LEU 88 Ca 0.02 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3g0m h LEU 88 Cb 0.22 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3g0m h LEU 88 CO -0.06 0.03 0.00 -1.22 0.09 0.00 0.00 178.44 177.28 3g0m n TYR 89 N -5.01 0.32 -2.03 1.13 4.01 -0.60 -4.94 117.16 110.04 3g0m n TYR 89 Ca 0.23 -0.16 -0.41 0.00 -0.16 0.00 0.00 57.90 57.40 3g0m n TYR 89 Cb 0.66 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.67 3g0m n TYR 89 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3g0m s HIS 90 N -1.68 2.96 -0.35 -0.72 2.46 -0.47 -2.27 115.29 115.23 3g0m s HIS 90 Ca 0.35 1.24 0.00 0.00 0.47 0.00 0.00 55.06 57.11 3g0m s HIS 90 Cb 0.20 -3.79 0.00 0.00 -0.13 0.00 0.00 32.58 28.86 3g0m s HIS 90 CO 0.29 -2.33 0.00 1.04 -2.47 0.00 0.00 174.74 171.27 3g0m n GLN 91 N 1.28 -1.59 -3.25 2.88 1.13 -1.26 -5.00 117.38 111.58 3g0m n GLN 91 Ca 0.03 0.55 -0.32 0.00 -1.94 0.00 0.00 57.00 55.31 3g0m n GLN 91 Cb 0.41 -4.80 -0.06 0.00 0.11 0.00 0.00 30.24 25.90 3g0m n GLN 91 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 3g0m s MET 92 N -2.01 3.89 0.89 -1.09 -1.94 -0.96 -4.87 119.30 113.21 3g0m s MET 92 Ca 0.00 0.46 -0.13 0.00 -1.71 0.00 0.00 55.69 54.31 3g0m s MET 92 Cb 0.00 -2.53 0.13 0.00 2.01 0.00 0.00 34.83 34.44 3g0m s MET 92 CO 0.00 0.21 1.18 0.95 -0.01 0.00 0.00 175.02 177.35 3g0m s THR 93 N -1.94 1.98 0.18 2.05 -4.23 -1.26 -0.67 115.64 111.75 3g0m s THR 93 Ca 0.51 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.89 3g0m s THR 93 Cb -0.11 -2.86 0.10 0.00 1.34 0.00 0.00 72.50 70.97 3g0m s THR 93 CO 0.20 0.00 1.81 0.00 -0.54 0.00 0.00 174.62 176.10 3g0m h ALA 94 N -1.41 0.79 -0.64 3.99 0.00 -1.88 -1.61 119.26 118.50 3g0m h ALA 94 Ca -0.48 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.30 3g0m h ALA 94 Cb 1.32 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 3g0m h ALA 94 CO 0.59 0.28 0.21 0.37 0.00 0.00 0.00 179.25 180.70 3g0m h GLN 95 N 0.84 0.98 -0.41 0.00 4.15 -1.94 -1.30 115.11 117.44 3g0m h GLN 95 Ca 0.22 -0.20 0.08 0.00 0.77 0.00 0.00 58.65 59.52 3g0m h GLN 95 Cb -0.00 -0.15 -0.08 0.00 0.21 0.00 0.00 27.48 27.46 3g0m h GLN 95 CO -0.04 0.86 -0.12 -0.44 -1.93 0.00 0.00 178.83 177.16 3g0m h ASP 96 N 0.91 -0.43 -0.32 -0.69 3.32 -1.83 -0.60 116.42 116.78 3g0m h ASP 96 Ca 0.21 0.13 0.04 0.00 0.02 0.00 0.00 57.03 57.42 3g0m h ASP 96 Cb 0.28 0.27 -0.04 0.00 0.22 0.00 0.00 39.33 40.06 3g0m h ASP 96 CO -0.01 -0.15 0.10 0.40 -1.72 0.00 0.00 179.24 177.86 3g0m h ILE 97 N -0.03 0.90 -0.70 0.35 2.04 -0.76 0.99 117.51 120.31 3g0m h ILE 97 Ca 0.20 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 3g0m h ILE 97 Cb 0.33 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 3g0m h ILE 97 CO -0.43 0.04 0.42 0.58 0.00 0.00 0.00 178.15 178.76 3g0m h VAL 98 N 0.24 1.20 -0.00 1.67 2.07 -0.89 -2.93 116.25 117.61 3g0m h VAL 98 Ca 0.14 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3g0m h VAL 98 Cb 0.12 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 3g0m h VAL 98 CO -0.15 0.21 -0.23 1.41 0.02 0.00 0.00 177.57 178.83 3g0m n HIS 99 N -4.53 0.00 -2.46 1.57 8.25 -0.27 -4.86 115.22 112.92 3g0m n HIS 99 Ca 0.06 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.09 3g0m n HIS 99 Cb 0.06 -0.36 -0.02 0.00 1.12 0.00 0.00 29.99 30.79 3g0m n HIS 99 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 3g0m s PHE 100 N -2.95 2.84 -0.50 4.41 5.36 0.31 -4.98 117.98 122.47 3g0m s PHE 100 Ca 0.14 1.00 -0.26 0.00 -0.96 0.00 0.00 56.93 56.85 3g0m s PHE 100 Cb 0.18 -3.66 0.03 0.00 -0.34 0.00 0.00 43.02 39.23 3g0m s PHE 100 CO 0.60 -1.55 1.00 0.34 -1.46 0.00 0.00 175.22 174.14 3g0m s ASP 101 N 2.23 6.48 0.14 6.13 -1.08 -1.26 -4.90 116.67 124.41 3g0m s ASP 101 Ca 0.54 0.07 0.26 0.00 -0.52 0.00 0.00 52.55 52.90 3g0m s ASP 101 Cb -0.18 -2.48 0.95 0.00 -1.46 0.00 0.00 42.92 39.75 3g0m s ASP 101 CO 0.17 -1.17 1.80 1.33 0.52 0.00 0.00 175.17 177.82 3g0m n VAL 102 N 6.48 0.47 0.10 1.11 0.24 -1.26 -4.24 118.33 121.21 3g0m n VAL 102 Ca 0.06 -0.10 -0.13 0.00 -2.04 0.00 0.00 64.34 62.13 3g0m n VAL 102 Cb 0.48 -0.65 -0.08 0.00 -1.47 0.00 0.00 33.84 32.12 3g0m n VAL 102 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 3g0m h ARG 103 N 0.00 -0.19 0.00 7.34 3.08 -1.99 -1.36 114.38 121.25 3g0m h ARG 103 Ca 0.00 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3g0m h ARG 103 Cb 0.59 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.68 3g0m h ARG 103 CO 0.00 -0.02 -0.04 -1.00 -1.07 0.00 0.00 179.97 177.84 3g0m h PRO 104 N -0.32 0.00 0.23 0.04 0.13 -1.99 0.12 132.00 130.20 3g0m h PRO 104 Ca -0.02 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.10 3g0m h PRO 104 Cb 0.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.39 3g0m h PRO 104 CO 0.03 0.04 -0.11 -1.49 -0.23 0.00 0.00 178.00 176.24 3g0m h TRP 105 N 0.00 -0.29 -0.05 1.56 4.06 -1.60 -2.29 115.95 117.34 3g0m h TRP 105 Ca -0.00 -0.01 -0.05 0.00 2.06 0.00 0.00 58.89 60.89 3g0m h TRP 105 Cb 0.09 0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 28.33 3g0m h TRP 105 CO 0.00 0.03 -0.20 0.74 -3.56 0.00 0.00 178.44 175.45 3g0m h PHE 106 N -0.63 0.08 -0.56 0.49 0.04 -0.84 -1.45 116.94 114.08 3g0m h PHE 106 Ca -0.03 -0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.64 3g0m h PHE 106 Cb 0.45 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.56 3g0m h PHE 106 CO 0.02 0.28 0.02 0.93 -0.60 0.00 0.00 178.31 178.96 3g0m h GLU 107 N 0.08 0.97 -0.35 1.51 5.08 -0.74 -0.98 114.58 120.15 3g0m h GLU 107 Ca 0.01 -0.30 -0.11 0.00 -1.00 0.00 0.00 59.36 57.97 3g0m h GLU 107 Cb 0.40 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3g0m h GLU 107 CO 0.03 0.96 -0.23 0.87 -1.00 0.00 0.00 179.01 179.65 3g0m h LYS 108 N 0.86 0.67 0.00 2.33 1.57 -1.06 -2.81 116.57 118.14 3g0m h LYS 108 Ca 0.16 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 3g0m h LYS 108 Cb 0.51 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 3g0m h LYS 108 CO 0.02 0.84 -0.25 0.52 -0.57 0.00 0.00 179.45 180.02 3g0m h MET 109 N 0.59 0.00 -5.98 3.15 2.86 -1.00 -3.44 114.93 111.11 3g0m h MET 109 Ca 0.08 0.00 -0.40 0.00 -2.06 0.00 0.00 59.70 57.33 3g0m h MET 109 Cb 0.70 0.00 0.08 0.00 0.06 0.00 0.00 31.60 32.45 3g0m h MET 109 CO 0.05 0.25 -0.82 0.00 1.06 0.00 0.00 176.91 177.45 3g0m n ALA 110 N -2.31 -2.04 -0.12 6.32 0.00 -0.40 -4.82 120.51 117.15 3g0m n ALA 110 Ca -0.01 -0.14 -0.24 0.00 0.00 0.00 0.00 53.44 53.05 3g0m n ALA 110 Cb 0.37 -2.16 -0.11 0.00 0.00 0.00 0.00 19.45 17.55 3g0m n ALA 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3g0m n LEU 111 N -4.22 1.89 -0.07 0.00 4.77 -1.26 -4.53 117.00 113.59 3g0m n LEU 111 Ca -0.29 0.40 0.08 0.00 -0.03 0.00 0.00 56.01 56.16 3g0m n LEU 111 Cb 0.67 -0.91 0.44 0.00 -2.33 0.00 0.00 43.42 41.29 3g0m n LEU 111 CO 0.66 0.36 1.18 0.00 -1.33 0.00 0.00 177.39 178.27 3g0m h ALA 112 N -0.68 1.84 0.00 -1.18 0.00 -1.92 -0.53 119.26 116.79 3g0m h ALA 112 Ca -0.46 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 3g0m h ALA 112 Cb 1.40 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 3g0m h ALA 112 CO -0.28 0.08 -0.01 -0.56 0.00 0.00 0.00 179.25 178.47 3g0m h GLN 113 N 0.53 0.00 -0.00 0.00 3.07 -1.97 -1.54 115.11 115.20 3g0m h GLN 113 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.98 3g0m h GLN 113 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.82 3g0m h GLN 113 CO -0.07 0.01 -0.88 0.72 0.09 0.00 0.00 178.83 178.70 3g0m n HIS 114 N -3.16 0.00 -2.78 0.06 8.25 -0.22 -4.97 115.22 112.40 3g0m n HIS 114 Ca -0.02 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.11 3g0m n HIS 114 Cb 0.16 -0.06 -0.06 0.00 1.12 0.00 0.00 29.99 31.14 3g0m n HIS 114 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3g0m s LEU 115 N -3.00 3.90 0.68 2.41 1.43 -0.58 -5.05 118.68 118.47 3g0m s LEU 115 Ca 0.09 1.62 -0.15 0.00 -1.03 0.00 0.00 54.13 54.65 3g0m s LEU 115 Cb 0.16 -4.48 0.01 0.00 0.03 0.00 0.00 46.19 41.92 3g0m s LEU 115 CO 0.83 -0.38 1.14 0.42 0.23 0.00 0.00 176.35 178.58 3g0m s THR 116 N -2.24 2.96 0.28 5.49 -4.23 -1.26 -4.76 115.64 111.87 3g0m s THR 116 Ca 0.60 0.45 0.02 0.00 -1.18 0.00 0.00 61.69 61.58 3g0m s THR 116 Cb -0.09 -2.97 0.27 0.00 1.34 0.00 0.00 72.50 71.04 3g0m s THR 116 CO 0.17 -0.27 1.76 -0.65 -0.54 0.00 0.00 174.62 175.09 3g0m h PRO 117 N -0.10 0.65 -0.51 3.99 0.11 -1.96 0.14 132.00 134.32 3g0m h PRO 117 Ca -0.47 -0.04 0.09 0.00 0.11 0.00 0.00 66.00 65.70 3g0m h PRO 117 Cb 1.26 -0.15 -0.08 0.00 0.11 0.00 0.00 31.00 32.15 3g0m h PRO 117 CO 0.53 0.43 0.05 1.03 -0.21 0.00 0.00 178.00 179.83 3g0m h SER 118 N 0.67 -0.11 0.35 -2.05 0.87 -1.98 0.14 113.55 111.43 3g0m h SER 118 Ca 0.52 0.11 -0.21 0.00 -1.23 0.00 0.00 61.79 60.97 3g0m h SER 118 Cb 0.78 0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.91 3g0m h SER 118 CO -0.38 -0.03 -0.89 0.03 -0.53 0.00 0.00 176.83 175.03 3g0m h ARG 119 N 0.17 0.38 -0.55 2.24 2.47 -1.53 -1.76 114.38 115.80 3g0m h ARG 119 Ca 0.26 -0.39 -0.06 0.00 -1.26 0.00 0.00 59.98 58.53 3g0m h ARG 119 Cb 0.37 0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.78 3g0m h ARG 119 CO -0.38 1.06 0.12 1.03 0.56 0.00 0.00 179.97 182.36 3g0m h SER 120 N 0.23 0.84 -0.71 7.04 0.87 -0.59 0.79 113.55 122.01 3g0m h SER 120 Ca -0.07 -0.24 -0.06 0.00 -1.23 0.00 0.00 61.79 60.20 3g0m h SER 120 Cb 1.52 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 63.22 3g0m h SER 120 CO 0.15 0.87 0.23 1.56 -0.53 0.00 0.00 176.83 179.11 3g0m h GLN 121 N 0.78 1.12 -0.52 2.24 4.20 -0.71 -1.76 115.11 120.45 3g0m h GLN 121 Ca 0.17 -0.23 -0.06 0.00 0.06 0.00 0.00 58.65 58.59 3g0m h GLN 121 Cb 0.36 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 3g0m h GLN 121 CO 0.00 0.95 0.10 0.78 -0.67 0.00 0.00 178.83 179.99 3g0m h GLY 122 N 1.11 0.91 0.94 3.46 0.00 -1.03 -0.39 103.07 108.07 3g0m h GLY 122 Ca 0.24 -0.59 0.01 0.00 0.00 0.00 0.00 47.33 46.98 3g0m h GLY 122 CO -0.01 0.55 0.03 -2.00 0.00 0.00 0.00 176.54 175.11 3g0m h LEU 123 N 0.73 0.04 -1.29 3.11 5.85 -0.53 -2.12 115.31 121.10 3g0m h LEU 123 Ca 0.16 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.92 3g0m h LEU 123 Cb 0.37 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 3g0m h LEU 123 CO 0.01 0.04 0.50 -0.33 -0.34 0.00 0.00 178.44 178.32 3g0m h GLU 124 N 0.08 0.90 -0.66 1.25 4.39 -1.09 -2.19 114.58 117.26 3g0m h GLU 124 Ca 0.04 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.62 3g0m h GLU 124 Cb 0.02 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.44 3g0m h GLU 124 CO -0.04 0.59 0.17 0.00 -1.16 0.00 0.00 179.01 178.58 3g0m h ALA 125 N 1.56 0.87 -0.35 3.43 0.00 -0.70 0.09 119.26 124.17 3g0m h ALA 125 Ca 0.31 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3g0m h ALA 125 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3g0m h ALA 125 CO -0.09 0.57 0.05 0.52 0.00 0.00 0.00 179.25 180.30 3g0m h MET 126 N 0.98 0.58 -0.39 0.00 2.86 -1.08 -1.28 114.93 116.60 3g0m h MET 126 Ca 0.21 -0.16 -0.08 0.00 -2.06 0.00 0.00 59.70 57.60 3g0m h MET 126 Cb 0.35 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 3g0m h MET 126 CO -0.00 0.66 -0.08 0.82 1.06 0.00 0.00 176.91 179.37 3g0m h ILE 127 N 0.41 1.27 -0.87 -1.22 2.04 -1.16 -1.82 117.51 116.18 3g0m h ILE 127 Ca 0.10 -1.16 0.04 0.00 1.00 0.00 0.00 64.86 64.85 3g0m h ILE 127 Cb 0.37 1.22 -0.06 0.00 -0.74 0.00 0.00 36.82 37.61 3g0m h ILE 127 CO 0.01 0.39 0.55 0.03 0.00 0.00 0.00 178.15 179.13 3g0m h ARG 128 N 0.56 1.02 -0.30 2.37 3.08 -0.85 -1.58 114.38 118.68 3g0m h ARG 128 Ca 0.10 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.02 3g0m h ARG 128 Cb 0.60 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 3g0m h ARG 128 CO 0.04 0.67 -0.10 0.00 -1.07 0.00 0.00 179.97 179.51 3g0m h ALA 129 N 1.38 0.41 -0.33 0.04 0.00 -1.07 -1.02 119.26 118.67 3g0m h ALA 129 Ca 0.36 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3g0m h ALA 129 Cb 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3g0m h ALA 129 CO -0.14 0.26 -0.04 0.82 0.00 0.00 0.00 179.25 180.15 3g0m h ILE 130 N 0.35 1.27 -0.94 0.00 2.04 -1.14 -2.21 117.51 116.88 3g0m h ILE 130 Ca 0.07 -1.05 -0.01 0.00 1.00 0.00 0.00 64.86 64.88 3g0m h ILE 130 Cb 0.59 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.91 3g0m h ILE 130 CO 0.03 0.34 0.55 0.03 0.00 0.00 0.00 178.15 179.11 3g0m h ARG 131 N 0.40 1.28 -0.41 2.37 3.08 -1.14 0.12 114.38 120.09 3g0m h ARG 131 Ca 0.09 -0.12 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 3g0m h ARG 131 Cb 0.51 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 3g0m h ARG 131 CO 0.02 0.90 0.06 0.00 -1.07 0.00 0.00 179.97 179.89 3g0m h ALA 132 N 1.30 0.54 -0.19 0.04 0.00 -1.09 -1.00 119.26 118.86 3g0m h ALA 132 Ca 0.33 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3g0m h ALA 132 Cb -0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3g0m h ALA 132 CO -0.06 0.26 0.12 0.87 0.00 0.00 0.00 179.25 180.44 3g0m h LYS 133 N 0.52 0.25 -0.98 0.00 1.57 -1.10 -2.92 116.57 113.91 3g0m h LYS 133 Ca 0.12 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.92 3g0m h LYS 133 Cb 0.38 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.58 3g0m h LYS 133 CO 0.01 0.17 0.65 0.00 -0.57 0.00 0.00 179.45 179.71 3g0m h ALA 134 N 1.06 1.35 0.00 3.86 0.00 -0.75 -2.36 119.26 122.41 3g0m h ALA 134 Ca 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3g0m h ALA 134 Cb -0.02 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 3g0m h ALA 134 CO -0.01 0.57 -0.03 0.00 0.00 0.00 0.00 179.25 179.77 3g0m h ALA 135 N 1.42 1.18 -0.00 0.00 0.00 -1.00 -2.90 119.26 117.95 3g0m h ALA 135 Ca 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3g0m h ALA 135 Cb -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3g0m h ALA 135 CO -0.11 0.04 -0.09 0.25 0.00 0.00 0.00 179.25 179.34 3g0m n THR 136 N -3.38 0.00 -2.92 0.00 -2.24 -0.89 -4.89 114.28 99.95 3g0m n THR 136 Ca -0.02 -0.04 -0.37 0.00 -2.27 0.00 0.00 64.05 61.35 3g0m n THR 136 Cb 0.16 -0.20 -0.06 0.00 -2.10 0.00 0.00 70.33 68.12 3g0m n THR 136 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3g0m s LEU 137 N -2.54 4.34 0.00 3.22 1.02 -1.10 -5.15 118.68 118.48 3g0m s LEU 137 Ca 0.27 1.65 0.00 0.00 0.02 0.00 0.00 54.13 56.07 3g0m s LEU 137 Cb 0.20 -3.82 0.00 0.00 0.02 0.00 0.00 46.19 42.59 3g0m s LEU 137 CO 0.48 -0.02 0.00 -1.20 0.02 0.00 0.00 176.35 175.63