#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dll n ARG 9 N 0.00 0.00 -3.59 -4.13 0.00 -1.26 -4.38 116.66 103.29 3dll n ARG 9 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.86 3dll n ARG 9 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.45 3dll n ARG 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3dll s ASN 10 N -3.05 -0.02 0.00 6.15 2.20 -1.26 -5.02 114.94 113.94 3dll s ASN 10 Ca 0.00 -0.02 0.00 0.00 -0.94 0.00 0.00 52.86 51.90 3dll s ASN 10 Cb 0.00 0.04 0.00 0.00 -2.00 0.00 0.00 41.25 39.29 3dll s ASN 10 CO 0.00 -0.07 0.66 2.29 -2.94 0.00 0.00 177.10 177.05 3dll n LYS 11 N -0.32 0.00 -0.23 3.55 2.85 -1.26 0.58 118.16 123.33 3dll n LYS 11 Ca -0.04 0.66 0.19 0.00 -1.05 0.00 0.00 58.31 58.07 3dll n LYS 11 Cb 0.61 -1.03 0.36 0.00 -0.65 0.00 0.00 35.03 34.31 3dll n LYS 11 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 3dll n LYS 12 N -2.37 -0.05 0.00 -1.58 4.81 -1.26 -0.78 118.16 116.93 3dll n LYS 12 Ca 0.00 0.98 0.00 0.00 -0.87 0.00 0.00 58.31 58.42 3dll n LYS 12 Cb 0.00 -1.71 0.00 0.00 0.02 0.00 0.00 35.03 33.34 3dll n LYS 12 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 3dll n GLN 13 N -4.67 0.00 -0.19 1.64 1.13 0.20 -3.59 117.38 111.89 3dll n GLN 13 Ca 0.24 0.32 0.11 0.00 -1.94 0.00 0.00 57.00 55.73 3dll n GLN 13 Cb 0.80 -1.01 0.22 0.00 0.11 0.00 0.00 30.24 30.36 3dll n GLN 13 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 3dll n ARG 14 N -1.45 -0.04 -0.31 -1.09 0.63 -0.51 0.41 116.66 114.31 3dll n ARG 14 Ca 0.00 0.84 0.24 0.00 -0.92 0.00 0.00 57.85 58.01 3dll n ARG 14 Cb 0.00 -1.39 0.53 0.00 0.45 0.00 0.00 32.46 32.06 3dll n ARG 14 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 3dll h LYS 15 N 0.00 0.34 0.10 -0.14 1.57 -1.01 1.01 116.57 118.44 3dll h LYS 15 Ca 0.39 -0.02 -0.36 0.00 -1.87 0.00 0.00 60.65 58.79 3dll h LYS 15 Cb 0.89 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.09 3dll h LYS 15 CO -0.51 0.23 -2.00 1.04 -0.57 0.00 0.00 179.45 177.63 3dll n GLN 16 N -4.57 0.72 0.11 3.15 6.02 1.39 -4.07 117.38 120.12 3dll n GLN 16 Ca 0.25 0.28 0.17 0.00 -0.01 0.00 0.00 57.00 57.68 3dll n GLN 16 Cb 0.89 -1.68 0.71 0.00 1.02 0.00 0.00 30.24 31.18 3dll n GLN 16 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 3dll h GLN 17 N -0.06 0.00 -2.38 -1.09 4.15 0.54 -3.39 115.11 112.88 3dll h GLN 17 Ca -0.44 0.00 -0.38 0.00 0.77 0.00 0.00 58.65 58.60 3dll h GLN 17 Cb 1.94 0.00 -0.35 0.00 0.21 0.00 0.00 27.48 29.27 3dll h GLN 17 CO 0.03 0.00 -0.67 0.08 -1.93 0.00 0.00 178.83 176.34 3dll s VAL 18 N -4.93 -0.31 0.80 2.39 1.01 0.33 -5.01 120.40 114.68 3dll s VAL 18 Ca -0.05 -0.49 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 3dll s VAL 18 Cb 0.18 -0.93 0.07 0.00 0.00 0.00 0.00 36.38 35.70 3dll s VAL 18 CO 0.67 -0.48 1.09 -0.54 0.00 0.00 0.00 175.10 175.84 3dll s LYS 19 N 2.29 2.08 -0.29 2.72 1.02 -1.26 -4.64 119.74 121.66 3dll s LYS 19 Ca 0.09 0.68 -0.06 0.00 0.02 0.00 0.00 55.97 56.70 3dll s LYS 19 Cb -0.15 -1.91 0.01 0.00 -0.52 0.00 0.00 37.83 35.26 3dll s LYS 19 CO -0.30 -1.64 0.06 -0.51 -0.92 0.00 0.00 175.35 172.04 3dll s LEU 20 N -5.80 3.78 0.21 3.17 2.01 -1.26 -5.10 118.68 115.69 3dll s LEU 20 Ca 0.61 -0.76 0.07 0.00 0.01 0.00 0.00 54.13 54.06 3dll s LEU 20 Cb -0.15 -1.85 -0.04 0.00 0.01 0.00 0.00 46.19 44.17 3dll s LEU 20 CO 0.54 -0.19 0.14 -0.13 1.01 0.00 0.00 176.35 177.73 3dll s ARG 21 N 1.47 2.82 -0.28 1.70 0.52 -1.26 -5.09 118.95 118.82 3dll s ARG 21 Ca 0.02 -1.02 -0.03 0.00 -0.52 0.00 0.00 55.73 54.18 3dll s ARG 21 Cb -0.17 -2.54 0.09 0.00 0.52 0.00 0.00 34.95 32.85 3dll s ARG 21 CO 0.01 0.43 0.11 -1.59 0.02 0.00 0.00 175.30 174.29 3dll s LYS 22 N -3.48 0.36 0.16 3.54 -2.85 -1.26 -5.14 119.74 111.08 3dll s LYS 22 Ca 0.32 -0.65 -0.17 0.00 -1.00 0.00 0.00 55.97 54.47 3dll s LYS 22 Cb -0.09 -1.51 -0.07 0.00 -2.06 0.00 0.00 37.83 34.10 3dll s LYS 22 CO 0.23 -0.96 0.62 -1.25 0.10 0.00 0.00 175.35 174.09 3dll s PRO 23 N 1.95 4.11 0.00 1.78 0.04 -1.26 -3.85 135.00 137.77 3dll s PRO 23 Ca 0.08 0.66 0.00 0.00 0.04 0.00 0.00 61.00 61.78 3dll s PRO 23 Cb -0.16 -2.95 0.00 0.00 0.04 0.00 0.00 34.50 31.42 3dll s PRO 23 CO -0.30 0.47 0.00 0.41 0.04 0.00 0.00 177.00 177.62 3dll n GLY 24 N 0.89 0.56 3.74 0.56 0.00 -1.26 -4.82 105.19 104.86 3dll n GLY 24 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 3dll n GLY 24 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3dll s PHE 25 N -2.35 3.44 -0.03 1.61 5.99 -1.25 -1.13 117.98 124.26 3dll s PHE 25 Ca 0.00 0.44 -0.09 0.00 0.00 0.00 0.00 56.93 57.28 3dll s PHE 25 Cb 0.00 -2.20 0.01 0.00 0.00 0.00 0.00 43.02 40.83 3dll s PHE 25 CO 0.00 0.31 0.20 0.00 -0.00 0.00 0.00 175.22 175.73 3dll s ALA 26 N 0.27 -0.49 0.09 11.12 0.00 -0.85 -4.90 121.76 127.00 3dll s ALA 26 Ca 0.11 0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.35 3dll s ALA 26 Cb -0.12 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 3dll s ALA 26 CO 0.01 -0.17 -0.09 0.54 0.00 0.00 0.00 175.76 176.04 3dll s VAL 27 N -0.77 0.81 -0.61 0.00 0.11 -1.26 -1.15 120.40 117.54 3dll s VAL 27 Ca -0.09 -1.64 0.04 0.00 -2.93 0.00 0.00 61.98 57.37 3dll s VAL 27 Cb -0.05 -1.34 0.16 0.00 -1.53 0.00 0.00 36.38 33.62 3dll s VAL 27 CO 0.01 -0.62 0.41 0.00 -3.33 0.00 0.00 175.10 171.58 3dll s ALA 28 N -2.62 3.19 -0.20 1.54 0.00 0.39 -4.93 121.76 119.13 3dll s ALA 28 Ca 0.05 -3.41 -0.29 0.00 0.00 0.00 0.00 51.96 48.30 3dll s ALA 28 Cb -0.02 -2.04 -0.02 0.00 0.00 0.00 0.00 23.12 21.04 3dll s ALA 28 CO -0.01 -2.06 1.42 0.15 0.00 0.00 0.00 175.76 175.26 3dll s LYS 29 N -0.87 4.02 0.00 0.00 1.02 -1.26 -2.76 119.74 119.88 3dll s LYS 29 Ca 0.24 1.62 0.00 0.00 0.02 0.00 0.00 55.97 57.85 3dll s LYS 29 Cb -0.08 -3.90 0.00 0.00 -0.52 0.00 0.00 37.83 33.33 3dll s LYS 29 CO -0.13 -1.00 0.00 0.66 -0.92 0.00 0.00 175.35 173.95 3dll n TYR 30 N 7.47 0.00 -1.66 3.18 4.01 -1.16 -4.98 117.16 124.03 3dll n TYR 30 Ca 0.16 0.00 -0.54 0.00 -0.16 0.00 0.00 57.90 57.36 3dll n TYR 30 Cb 0.45 -0.14 -0.07 0.00 -0.31 0.00 0.00 39.34 39.28 3dll n TYR 30 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3dll n VAL 31 N -2.73 0.35 -1.62 -0.72 0.31 0.65 -4.50 118.33 110.08 3dll n VAL 31 Ca 0.00 -0.10 -0.34 0.00 -0.01 0.00 0.00 64.34 63.89 3dll n VAL 31 Cb 0.00 -1.44 -0.06 0.00 -0.91 0.00 0.00 33.84 31.43 3dll n VAL 31 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3dll n ARG 32 N 6.18 1.43 -3.67 5.55 5.12 -1.26 0.11 116.66 130.12 3dll n ARG 32 Ca 0.28 -2.13 -0.15 0.00 -1.93 0.00 0.00 57.85 53.92 3dll n ARG 32 Cb 0.18 -3.37 -0.08 0.00 -1.16 0.00 0.00 32.46 28.03 3dll n ARG 32 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 3dll s MET 33 N 6.00 0.76 -0.35 5.56 -1.94 -1.22 -4.93 119.30 123.18 3dll s MET 33 Ca 0.65 0.19 -0.29 0.00 -1.71 0.00 0.00 55.69 54.53 3dll s MET 33 Cb 0.06 0.35 -0.00 0.00 2.01 0.00 0.00 34.83 37.25 3dll s MET 33 CO 0.14 -0.19 1.55 0.45 -0.01 0.00 0.00 175.02 176.96 3dll s SER 34 N -0.84 6.23 0.00 3.03 0.15 -1.26 -2.74 113.70 118.27 3dll s SER 34 Ca -0.09 1.11 0.00 0.00 0.70 0.00 0.00 55.95 57.67 3dll s SER 34 Cb -0.03 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 3dll s SER 34 CO 0.05 -1.47 0.12 -2.65 1.20 0.00 0.00 173.24 170.49 3dll n PRO 35 N 8.08 0.00 -0.17 5.44 -0.02 -1.26 0.14 135.00 147.20 3dll n PRO 35 Ca 0.19 0.12 -0.03 0.00 -2.02 0.00 0.00 63.50 61.76 3dll n PRO 35 Cb 0.47 -0.20 -0.01 0.00 -0.02 0.00 0.00 33.50 33.74 3dll n PRO 35 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3dll n ARG 36 N -1.29 -0.15 -0.33 -0.52 0.63 -1.26 0.46 116.66 114.21 3dll n ARG 36 Ca 0.00 0.66 0.24 0.00 -0.92 0.00 0.00 57.85 57.83 3dll n ARG 36 Cb 0.00 -0.97 0.47 0.00 0.45 0.00 0.00 32.46 32.42 3dll n ARG 36 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 3dll h LYS 37 N 0.00 0.18 0.03 -0.14 3.11 0.89 -2.35 116.57 118.29 3dll h LYS 37 Ca 0.11 -0.01 -0.29 0.00 -2.81 0.00 0.00 60.65 57.65 3dll h LYS 37 Cb 0.22 -0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 31.37 3dll h LYS 37 CO -0.42 0.12 -1.59 0.28 -2.81 0.00 0.00 179.45 175.03 3dll n VAL 38 N -5.17 1.59 -0.25 2.00 0.31 1.63 -4.27 118.33 114.18 3dll n VAL 38 Ca 0.32 -0.23 -0.06 0.00 -0.01 0.00 0.00 64.34 64.36 3dll n VAL 38 Cb 1.02 -1.94 -0.06 0.00 -0.91 0.00 0.00 33.84 31.96 3dll n VAL 38 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3dll n ARG 39 N -4.16 -0.26 0.00 5.55 3.00 0.16 0.62 116.66 121.57 3dll n ARG 39 Ca -0.35 1.10 0.00 0.00 -0.01 0.00 0.00 57.85 58.59 3dll n ARG 39 Cb 0.80 -1.62 0.00 0.00 0.00 0.00 0.00 32.46 31.64 3dll n ARG 39 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3dll n LEU 40 N -4.41 0.00 0.00 0.55 4.77 -0.98 -1.40 117.00 115.53 3dll n LEU 40 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3dll n LEU 40 Cb 0.15 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3dll n LEU 40 CO -0.09 0.00 0.20 0.52 -1.33 0.00 0.00 177.39 176.68 3dll n VAL 41 N -3.89 0.00 0.00 4.08 0.31 0.20 -3.76 118.33 115.27 3dll n VAL 41 Ca 0.00 0.82 0.00 0.00 -0.01 0.00 0.00 64.34 65.15 3dll n VAL 41 Cb 0.00 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.27 3dll n VAL 41 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3dll n VAL 42 N -0.46 0.00 0.00 2.52 0.31 -0.49 -1.48 118.33 118.72 3dll n VAL 42 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3dll n VAL 42 Cb 0.00 -0.07 0.00 0.00 -0.91 0.00 0.00 33.84 32.86 3dll n VAL 42 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3dll n ASP 43 N 1.32 1.72 0.00 4.52 10.43 -1.21 -4.52 116.55 128.81 3dll n ASP 43 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 3dll n ASP 43 Cb 0.00 0.20 0.00 0.00 1.84 0.00 0.00 41.12 43.16 3dll n ASP 43 CO 0.00 0.00 0.00 1.33 -1.07 0.00 0.00 177.20 177.46 3dll n VAL 44 N -0.95 0.00 0.00 2.53 0.24 -0.55 -4.17 118.33 115.43 3dll n VAL 44 Ca 0.00 0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.43 3dll n VAL 44 Cb 0.15 -0.32 0.00 0.00 -1.47 0.00 0.00 33.84 32.19 3dll n VAL 44 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3dll n ILE 45 N -0.18 0.00 -0.86 1.34 -0.00 -1.26 -4.26 119.36 114.13 3dll n ILE 45 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 62.75 62.39 3dll n ILE 45 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 39.64 39.58 3dll n ILE 45 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.55 175.41 3dll n ARG 46 N -1.20 0.00 0.00 0.38 0.63 -1.26 -0.64 116.66 114.56 3dll n ARG 46 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3dll n ARG 46 Cb 0.00 -0.84 0.00 0.00 0.45 0.00 0.00 32.46 32.07 3dll n ARG 46 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3dll n GLY 47 N 3.09 3.10 3.90 5.14 0.00 -0.40 -4.94 105.19 115.07 3dll n GLY 47 Ca 0.23 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 3dll n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dll s LYS 48 N 0.00 1.22 0.19 1.61 0.00 0.18 -3.84 119.74 119.09 3dll s LYS 48 Ca 0.00 -0.11 -0.33 0.00 0.00 0.00 0.00 55.97 55.53 3dll s LYS 48 Cb 0.00 -1.88 -0.13 0.00 0.00 0.00 0.00 37.83 35.81 3dll s LYS 48 CO 0.00 -2.07 1.56 0.45 0.00 0.00 0.00 175.35 175.29 3dll n SER 49 N -3.60 3.19 0.28 0.03 2.88 -1.26 0.11 113.62 115.25 3dll n SER 49 Ca 0.11 1.10 0.13 0.00 -1.33 0.00 0.00 58.87 58.88 3dll n SER 49 Cb 0.60 -1.45 0.69 0.00 -0.75 0.00 0.00 64.21 63.29 3dll n SER 49 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 3dll h VAL 50 N 3.52 0.00 0.14 2.46 3.04 -1.67 0.56 116.25 124.30 3dll h VAL 50 Ca -0.45 0.00 -0.24 0.00 -1.01 0.00 0.00 66.70 65.01 3dll h VAL 50 Cb 1.25 0.56 0.01 0.00 -2.01 0.00 0.00 31.29 31.10 3dll h VAL 50 CO 0.87 0.00 -1.12 -0.61 -1.01 0.00 0.00 177.57 175.70 3dll h GLN 51 N 0.00 0.29 0.32 4.17 4.15 -1.87 0.15 115.11 122.32 3dll h GLN 51 Ca 0.00 -0.50 -0.01 0.00 0.77 0.00 0.00 58.65 58.91 3dll h GLN 51 Cb 0.58 0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.44 3dll h GLN 51 CO 0.00 1.24 -0.31 -0.44 -1.93 0.00 0.00 178.83 177.39 3dll h ASP 52 N -0.31 -0.86 -0.93 -0.69 3.45 -0.44 0.26 116.42 116.90 3dll h ASP 52 Ca -0.22 0.07 0.10 0.00 0.43 0.00 0.00 57.03 57.41 3dll h ASP 52 Cb 1.73 0.28 -0.12 0.00 -0.56 0.00 0.00 39.33 40.66 3dll h ASP 52 CO 0.12 -0.42 -0.49 0.00 -1.57 0.00 0.00 179.24 176.89 3dll n ALA 53 N -2.60 -0.44 -0.50 3.45 0.00 0.97 0.32 120.51 121.71 3dll n ALA 53 Ca -0.07 0.84 0.41 0.00 0.00 0.00 0.00 53.44 54.61 3dll n ALA 53 Cb 0.29 -0.22 0.71 0.00 0.00 0.00 0.00 19.45 20.22 3dll n ALA 53 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3dll h GLU 54 N 0.00 0.06 -0.20 0.00 4.81 0.98 -1.84 114.58 118.38 3dll h GLU 54 Ca 0.21 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 3dll h GLU 54 Cb 0.44 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.81 3dll h GLU 54 CO -0.89 0.04 0.00 -0.25 -0.73 0.00 0.00 179.01 177.18 3dll n ASP 55 N -4.43 2.45 -0.07 1.04 10.43 0.94 -3.94 116.55 122.97 3dll n ASP 55 Ca 0.38 -1.81 -0.05 0.00 2.57 0.00 0.00 54.79 55.88 3dll n ASP 55 Cb 1.56 -0.13 -0.02 0.00 1.84 0.00 0.00 41.12 44.37 3dll n ASP 55 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 3dll h LEU 56 N 1.72 0.00 -0.60 0.64 3.38 -0.40 -3.36 115.31 116.68 3dll h LEU 56 Ca 0.00 -0.04 0.07 0.00 0.09 0.00 0.00 57.88 57.99 3dll h LEU 56 Cb 0.59 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.27 3dll h LEU 56 CO 0.00 0.78 -0.31 0.18 0.09 0.00 0.00 178.44 179.18 3dll n LEU 57 N -4.62 -0.55 0.00 1.67 4.77 -1.07 0.18 117.00 117.37 3dll n LEU 57 Ca -0.08 1.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.95 3dll n LEU 57 Cb 0.27 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3dll n LEU 57 CO 0.10 -0.89 0.16 -1.14 -1.33 0.00 0.00 177.39 174.29 3dll n ARG 58 N -4.79 0.00 0.00 3.23 0.63 -1.25 -1.56 116.66 112.92 3dll n ARG 58 Ca 0.03 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 3dll n ARG 58 Cb 0.18 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.59 3dll n ARG 58 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3dll n PHE 59 N -0.81 0.00 -2.42 -0.14 3.01 0.47 -5.05 117.46 112.52 3dll n PHE 59 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.03 3dll n PHE 59 Cb 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.45 3dll n PHE 59 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3dll s ILE 60 N -0.10 4.09 0.33 4.37 1.01 -0.60 -4.93 121.20 125.37 3dll s ILE 60 Ca 0.00 1.20 0.20 0.00 0.00 0.00 0.00 60.65 62.05 3dll s ILE 60 Cb 0.00 -4.20 0.33 0.00 0.01 0.00 0.00 42.46 38.60 3dll s ILE 60 CO 0.00 -0.58 1.34 -2.65 0.00 0.00 0.00 174.94 173.04 3dll n PRO 61 N 7.53 -0.05 -0.81 2.79 -0.02 -1.26 -4.74 135.00 138.44 3dll n PRO 61 Ca 0.15 1.14 -0.30 0.00 -2.02 0.00 0.00 63.50 62.47 3dll n PRO 61 Cb 0.47 -2.10 0.18 0.00 -0.02 0.00 0.00 33.50 32.03 3dll n PRO 61 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3dll s ARG 62 N -5.21 0.61 -0.08 -0.52 1.81 -1.26 -4.95 118.95 109.35 3dll s ARG 62 Ca -0.07 1.16 0.17 0.00 -1.72 0.00 0.00 55.73 55.27 3dll s ARG 62 Cb 0.28 -1.71 0.64 0.00 -0.45 0.00 0.00 34.95 33.71 3dll s ARG 62 CO 0.67 -2.79 1.53 -1.13 -0.68 0.00 0.00 175.30 172.91 3dll n SER 63 N -4.30 4.17 0.05 0.23 3.41 -1.26 -3.24 113.62 112.67 3dll n SER 63 Ca 0.08 -2.31 0.09 0.00 -0.26 0.00 0.00 58.87 56.47 3dll n SER 63 Cb 0.53 -0.53 -0.07 0.00 -0.26 0.00 0.00 64.21 63.89 3dll n SER 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dll n ALA 64 N 1.11 2.47 -0.34 7.33 0.00 -1.26 -4.14 120.51 125.68 3dll n ALA 64 Ca 0.23 -0.41 0.18 0.00 0.00 0.00 0.00 53.44 53.45 3dll n ALA 64 Cb 0.76 -0.95 0.40 0.00 0.00 0.00 0.00 19.45 19.66 3dll n ALA 64 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3dll h SER 65 N 0.00 0.64 0.22 0.00 0.02 -1.84 0.11 113.55 112.69 3dll h SER 65 Ca -0.05 0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 3dll h SER 65 Cb 1.14 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.74 3dll h SER 65 CO 0.01 0.06 -0.10 -0.08 -1.14 0.00 0.00 176.83 175.58 3dll h GLU 66 N 0.53 -0.28 -0.93 3.45 4.81 -1.82 0.99 114.58 121.33 3dll h GLU 66 Ca 0.66 0.02 0.17 0.00 -0.13 0.00 0.00 59.36 60.08 3dll h GLU 66 Cb 1.29 0.06 -0.17 0.00 0.63 0.00 0.00 28.75 30.56 3dll h GLU 66 CO -0.50 -0.19 -0.29 -1.35 -0.73 0.00 0.00 179.01 175.95 3dll h PRO 67 N -0.55 -0.01 -0.78 0.92 0.11 -1.74 0.99 132.00 130.94 3dll h PRO 67 Ca -0.03 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.11 3dll h PRO 67 Cb 0.22 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.29 3dll h PRO 67 CO 0.05 -0.01 0.49 0.28 -0.21 0.00 0.00 178.00 178.61 3dll h VAL 68 N -0.01 1.12 0.30 3.15 2.07 -0.73 -2.86 116.25 119.29 3dll h VAL 68 Ca 0.40 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 3dll h VAL 68 Cb 0.65 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3dll h VAL 68 CO -0.96 0.18 -0.22 0.00 0.02 0.00 0.00 177.57 176.59 3dll h ALA 69 N 1.32 -1.01 0.00 1.67 0.00 0.89 -2.66 119.26 119.47 3dll h ALA 69 Ca 0.31 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3dll h ALA 69 Cb 0.00 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3dll h ALA 69 CO -0.11 -1.00 0.84 1.63 0.00 0.00 0.00 179.25 180.61 3dll n LYS 70 N -3.64 0.02 -0.12 0.00 5.02 -0.03 0.39 118.16 119.80 3dll n LYS 70 Ca -0.06 0.78 -0.26 0.00 -2.02 0.00 0.00 58.31 56.75 3dll n LYS 70 Cb 0.21 -2.20 -0.11 0.00 -0.02 0.00 0.00 35.03 32.92 3dll n LYS 70 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3dll n VAL 71 N -2.16 1.54 -0.06 -0.18 0.31 -1.06 -3.77 118.33 112.95 3dll n VAL 71 Ca 0.00 -0.24 -0.04 0.00 -0.01 0.00 0.00 64.34 64.05 3dll n VAL 71 Cb 0.84 -1.94 -0.03 0.00 -0.91 0.00 0.00 33.84 31.81 3dll n VAL 71 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3dll h LEU 72 N -0.96 -0.56 -0.38 7.52 5.85 0.26 0.88 115.31 127.92 3dll h LEU 72 Ca -0.55 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.28 3dll h LEU 72 Cb 1.50 0.24 -0.05 0.00 0.37 0.00 0.00 40.66 42.72 3dll h LEU 72 CO -0.32 -0.11 -0.22 -3.20 -0.34 0.00 0.00 178.44 174.25 3dll n ASN 73 N -3.52 -0.40 0.00 1.25 5.15 -1.08 0.40 115.26 117.05 3dll n ASN 73 Ca -0.01 1.14 0.00 0.00 -0.60 0.00 0.00 54.58 55.11 3dll n ASN 73 Cb 0.09 -0.32 0.00 0.00 -0.53 0.00 0.00 39.78 39.03 3dll n ASN 73 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 3dll n SER 74 N -3.84 0.00 -0.25 1.20 2.88 -0.63 0.48 113.62 113.46 3dll n SER 74 Ca 0.01 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.65 3dll n SER 74 Cb 0.10 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.50 3dll n SER 74 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3dll n ALA 75 N -0.93 4.12 0.07 -1.46 0.00 1.32 -3.87 120.51 119.75 3dll n ALA 75 Ca 0.00 -0.61 0.01 0.00 0.00 0.00 0.00 53.44 52.83 3dll n ALA 75 Cb 0.00 -0.77 -0.01 0.00 0.00 0.00 0.00 19.45 18.67 3dll n ALA 75 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3dll n LYS 76 N -0.74 4.91 0.00 0.00 2.85 0.18 -3.66 118.16 121.69 3dll n LYS 76 Ca 0.07 -0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.45 3dll n LYS 76 Cb 0.39 -0.70 0.72 0.00 -0.65 0.00 0.00 35.03 34.80 3dll n LYS 76 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3dll n ALA 77 N -1.17 2.39 0.00 0.58 0.00 0.10 -2.23 120.51 120.19 3dll n ALA 77 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3dll n ALA 77 Cb 0.03 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.04 3dll n ALA 77 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3dll n ASN 78 N -1.21 4.76 0.19 0.00 4.13 -1.25 -4.27 115.26 117.61 3dll n ASN 78 Ca 0.15 0.00 0.04 0.00 1.68 0.00 0.00 54.58 56.45 3dll n ASN 78 Cb 0.18 0.92 0.36 0.00 -1.54 0.00 0.00 39.78 39.70 3dll n ASN 78 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3dll h ALA 79 N 0.00 1.15 -3.00 5.41 0.00 -1.54 -0.30 119.26 120.98 3dll h ALA 79 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3dll h ALA 79 Cb 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3dll h ALA 79 CO 0.00 0.48 0.00 1.28 0.00 0.00 0.00 179.25 181.01 3dll n LEU 80 N -3.77 0.55 0.00 0.00 4.77 -0.95 -2.64 117.00 114.96 3dll n LEU 80 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 3dll n LEU 80 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3dll n LEU 80 CO 0.38 0.00 0.37 1.57 -1.33 0.00 0.00 177.39 178.37 3dll n HIS 81 N -0.56 0.00 0.32 -1.77 -0.00 -1.26 0.19 115.22 112.14 3dll n HIS 81 Ca 0.00 0.00 0.20 0.00 0.46 0.00 0.00 57.72 58.38 3dll n HIS 81 Cb 0.00 -0.23 1.12 0.00 -0.12 0.00 0.00 29.99 30.75 3dll n HIS 81 CO 0.00 0.00 0.00 -0.91 0.46 0.00 0.00 176.34 175.89 3dll h ASN 82 N 0.00 0.00 0.00 0.26 2.35 -1.74 -3.31 115.58 113.14 3dll h ASN 82 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3dll h ASN 82 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3dll h ASN 82 CO 0.00 0.00 -0.01 0.47 -1.65 0.00 0.00 177.43 176.24 3dll n ASP 83 N -3.33 0.92 -2.99 5.81 8.00 -0.13 -4.99 116.55 119.84 3dll n ASP 83 Ca -0.03 -1.51 -0.01 0.00 0.71 0.00 0.00 54.79 53.96 3dll n ASP 83 Cb 0.08 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.16 3dll n ASP 83 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3dll n GLU 84 N -0.25 -1.81 -3.54 -1.24 1.02 0.49 -4.84 120.64 110.48 3dll n GLU 84 Ca 0.00 1.67 -0.15 0.00 -0.02 0.00 0.00 57.16 58.66 3dll n GLU 84 Cb 0.40 -2.20 -0.05 0.00 -0.02 0.00 0.00 31.44 29.56 3dll n GLU 84 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3dll s MET 85 N -0.67 1.05 -0.73 3.49 -1.94 -1.08 -4.93 119.30 114.49 3dll s MET 85 Ca -0.05 -0.05 -0.26 0.00 -1.71 0.00 0.00 55.69 53.63 3dll s MET 85 Cb 0.00 0.49 -0.04 0.00 2.01 0.00 0.00 34.83 37.29 3dll s MET 85 CO 0.24 -0.37 1.96 -0.51 -0.01 0.00 0.00 175.02 176.33 3dll s LEU 86 N -1.69 3.22 0.00 -0.03 1.02 -1.26 -4.65 118.68 115.29 3dll s LEU 86 Ca -0.08 -0.05 0.00 0.00 0.02 0.00 0.00 54.13 54.03 3dll s LEU 86 Cb -0.01 -2.54 0.00 0.00 0.02 0.00 0.00 46.19 43.66 3dll s LEU 86 CO 0.02 -2.63 0.77 -1.84 0.02 0.00 0.00 176.35 172.69 3dll n GLU 87 N 9.02 0.00 -1.53 1.70 -0.00 -1.26 0.31 120.64 128.88 3dll n GLU 87 Ca 0.31 0.29 -0.31 0.00 -0.00 0.00 0.00 57.16 57.45 3dll n GLU 87 Cb 0.50 -1.53 0.07 0.00 -0.00 0.00 0.00 31.44 30.47 3dll n GLU 87 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3dll n ASP 88 N -1.27 6.66 -2.67 -1.84 10.43 -1.26 -4.51 116.55 122.09 3dll n ASP 88 Ca 0.00 -3.77 -0.04 0.00 2.57 0.00 0.00 54.79 53.54 3dll n ASP 88 Cb 0.03 -0.77 0.06 0.00 1.84 0.00 0.00 41.12 42.27 3dll n ASP 88 CO 0.00 0.00 0.00 -1.14 -1.07 0.00 0.00 177.20 174.99 3dll n ARG 89 N -0.87 0.16 -3.16 -1.24 0.63 0.15 -5.07 116.66 107.26 3dll n ARG 89 Ca 0.56 -0.81 -0.18 0.00 -0.92 0.00 0.00 57.85 56.51 3dll n ARG 89 Cb 0.79 -0.20 -0.03 0.00 0.45 0.00 0.00 32.46 33.47 3dll n ARG 89 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3dll n LEU 90 N 1.92 0.90 -4.19 6.15 4.77 -1.22 -3.60 117.00 121.73 3dll n LEU 90 Ca 0.06 -4.95 -0.27 0.00 -0.03 0.00 0.00 56.01 50.82 3dll n LEU 90 Cb 0.68 0.69 0.19 0.00 -2.33 0.00 0.00 43.42 42.65 3dll n LEU 90 CO -0.12 2.25 -0.15 2.22 -1.33 0.00 0.00 177.39 180.27 3dll n PHE 91 N 0.26 -2.08 -2.99 -1.77 -1.74 -1.22 -2.16 117.46 105.75 3dll n PHE 91 Ca 0.24 -0.08 -0.44 0.00 -0.56 0.00 0.00 57.45 56.61 3dll n PHE 91 Cb 0.67 -1.48 -0.01 0.00 1.52 0.00 0.00 39.48 40.18 3dll n PHE 91 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 3dll s VAL 92 N -2.17 5.07 0.19 1.97 1.01 0.31 -3.08 120.40 123.70 3dll s VAL 92 Ca 0.52 -2.41 -0.12 0.00 0.00 0.00 0.00 61.98 59.97 3dll s VAL 92 Cb -0.11 -4.83 0.10 0.00 0.00 0.00 0.00 36.38 31.55 3dll s VAL 92 CO 0.54 -1.52 1.77 0.50 0.00 0.00 0.00 175.10 176.38 3dll h LYS 93 N 7.59 0.46 -3.10 2.72 3.64 -1.75 -1.06 116.57 125.07 3dll h LYS 93 Ca 0.25 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.47 3dll h LYS 93 Cb 0.92 -0.10 -0.22 0.00 -0.41 0.00 0.00 32.23 32.42 3dll h LYS 93 CO 1.16 0.30 -0.33 -2.00 -2.27 0.00 0.00 179.45 176.31 3dll s GLU 94 N -6.12 0.54 -0.28 1.90 2.12 0.23 -4.80 118.70 112.30 3dll s GLU 94 Ca -0.13 -0.04 -0.21 0.00 0.36 0.00 0.00 54.97 54.95 3dll s GLU 94 Cb 0.15 0.24 0.08 0.00 0.26 0.00 0.00 34.13 34.86 3dll s GLU 94 CO 0.74 -0.13 0.72 0.00 -0.54 0.00 0.00 175.26 176.05 3dll s ALA 95 N -0.89 -1.84 0.16 6.30 0.00 -1.26 0.13 121.76 124.36 3dll s ALA 95 Ca -0.10 2.21 -0.25 0.00 0.00 0.00 0.00 51.96 53.83 3dll s ALA 95 Cb -0.05 -1.31 0.06 0.00 0.00 0.00 0.00 23.12 21.82 3dll s ALA 95 CO 0.03 -0.36 0.87 1.52 0.00 0.00 0.00 175.76 177.82 3dll s TYR 96 N 0.96 -0.21 -0.26 0.00 -0.85 -0.73 -5.02 117.35 111.25 3dll s TYR 96 Ca -0.05 -0.10 -0.04 0.00 -0.52 0.00 0.00 57.07 56.36 3dll s TYR 96 Cb -0.05 0.63 0.10 0.00 0.38 0.00 0.00 41.96 43.02 3dll s TYR 96 CO -0.09 -0.88 0.14 0.08 -1.52 0.00 0.00 175.55 173.29 3dll s VAL 97 N -3.44 -0.12 0.80 -3.49 1.01 -1.26 -2.19 120.40 111.71 3dll s VAL 97 Ca 0.10 -0.58 -0.10 0.00 0.00 0.00 0.00 61.98 61.41 3dll s VAL 97 Cb -0.02 -0.88 0.11 0.00 0.00 0.00 0.00 36.38 35.59 3dll s VAL 97 CO 0.00 -0.58 1.13 -1.81 0.00 0.00 0.00 175.10 173.84 3dll s ASP 98 N 2.15 4.22 -0.22 3.32 1.01 -1.20 -4.86 116.67 121.08 3dll s ASP 98 Ca 0.08 0.37 -0.25 0.00 0.71 0.00 0.00 52.55 53.46 3dll s ASP 98 Cb -0.16 -0.79 -0.01 0.00 1.01 0.00 0.00 42.92 42.98 3dll s ASP 98 CO -0.30 -2.01 0.85 0.00 0.21 0.00 0.00 175.17 173.92 3dll s ALA 99 N -3.48 3.62 1.22 5.23 0.00 -1.26 -2.55 121.76 124.54 3dll s ALA 99 Ca 0.65 -0.06 -0.20 0.00 0.00 0.00 0.00 51.96 52.34 3dll s ALA 99 Cb -0.08 -3.30 0.30 0.00 0.00 0.00 0.00 23.12 20.04 3dll s ALA 99 CO 0.48 -0.87 1.13 0.20 0.00 0.00 0.00 175.76 176.69 3dll s GLY 100 N 1.28 1.60 1.14 0.00 0.00 0.44 -4.84 107.32 106.95 3dll s GLY 100 Ca 0.37 -1.07 -0.19 0.00 0.00 0.00 0.00 44.72 43.83 3dll s GLY 100 CO 0.08 -0.14 1.17 2.56 0.00 0.00 0.00 173.10 176.77 3dll s PRO 101 N -5.52 -0.77 -0.03 2.90 0.04 -1.26 -4.56 135.00 125.80 3dll s PRO 101 Ca 0.72 -0.18 0.04 0.00 0.04 0.00 0.00 61.00 61.63 3dll s PRO 101 Cb -0.08 -1.66 -0.00 0.00 0.04 0.00 0.00 34.50 32.80 3dll s PRO 101 CO 0.56 -3.39 -0.16 0.99 0.04 0.00 0.00 177.00 175.04 3dll s THR 102 N -3.25 1.30 -0.37 1.26 2.01 -1.26 -3.50 115.64 111.83 3dll s THR 102 Ca 0.72 -0.66 -0.22 0.00 0.31 0.00 0.00 61.69 61.83 3dll s THR 102 Cb -0.08 -1.11 0.01 0.00 0.01 0.00 0.00 72.50 71.33 3dll s THR 102 CO 0.55 0.38 0.75 -0.76 -0.69 0.00 0.00 174.62 174.84 3dll s LEU 103 N -0.06 4.18 -0.10 4.42 1.43 -0.94 -4.95 118.68 122.66 3dll s LEU 103 Ca -0.01 0.25 -0.15 0.00 -1.03 0.00 0.00 54.13 53.19 3dll s LEU 103 Cb -0.10 -2.96 -0.05 0.00 0.03 0.00 0.00 46.19 43.12 3dll s LEU 103 CO 0.01 -0.72 0.38 -0.54 0.23 0.00 0.00 176.35 175.71 3dll s LYS 104 N 3.02 4.15 0.19 1.70 1.02 -1.26 0.13 119.74 128.69 3dll s LYS 104 Ca 0.29 0.30 0.05 0.00 0.02 0.00 0.00 55.97 56.63 3dll s LYS 104 Cb -0.13 -3.36 -0.05 0.00 -0.52 0.00 0.00 37.83 33.77 3dll s LYS 104 CO 0.17 0.37 -0.07 0.50 -0.92 0.00 0.00 175.35 175.40 3dll s ARG 105 N -0.00 1.21 -0.17 1.68 3.52 0.48 -4.96 118.95 120.70 3dll s ARG 105 Ca 0.22 -1.56 -0.08 0.00 -0.13 0.00 0.00 55.73 54.18 3dll s ARG 105 Cb -0.15 -0.71 -0.04 0.00 -1.56 0.00 0.00 34.95 32.49 3dll s ARG 105 CO 0.09 0.03 0.09 -1.17 -0.81 0.00 0.00 175.30 173.52 3dll s LEU 106 N -3.24 3.98 -0.23 -0.88 2.96 -1.26 -0.14 118.68 119.87 3dll s LEU 106 Ca 0.22 0.18 -0.03 0.00 -0.22 0.00 0.00 54.13 54.27 3dll s LEU 106 Cb 0.03 -2.00 0.08 0.00 0.50 0.00 0.00 46.19 44.80 3dll s LEU 106 CO 0.05 0.22 0.09 -0.51 -1.32 0.00 0.00 176.35 174.87 3dll s ILE 107 N 0.10 0.27 1.01 6.68 -1.16 0.12 -4.91 121.20 123.32 3dll s ILE 107 Ca 0.07 -0.66 -0.11 0.00 -0.51 0.00 0.00 60.65 59.43 3dll s ILE 107 Cb -0.12 -1.02 0.20 0.00 0.61 0.00 0.00 42.46 42.14 3dll s ILE 107 CO 0.00 -0.45 1.09 -2.16 -2.81 0.00 0.00 174.94 170.61 3dll s PRO 108 N 1.95 0.25 0.33 3.50 0.04 -1.26 -0.45 135.00 139.37 3dll s PRO 108 Ca 0.04 1.15 0.06 0.00 0.04 0.00 0.00 61.00 62.30 3dll s PRO 108 Cb -0.17 -1.67 -0.02 0.00 0.04 0.00 0.00 34.50 32.68 3dll s PRO 108 CO -0.19 -3.03 0.32 0.54 0.04 0.00 0.00 177.00 174.68 3dll n ARG 109 N -4.47 0.46 -1.61 4.56 1.74 -0.23 -4.70 116.66 112.40 3dll n ARG 109 Ca 0.07 -3.23 -0.36 0.00 -0.77 0.00 0.00 57.85 53.56 3dll n ARG 109 Cb 0.53 2.72 0.08 0.00 -1.02 0.00 0.00 32.46 34.78 3dll n ARG 109 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dll s ALA 110 N -3.26 2.26 -0.36 7.54 0.00 -1.26 -3.82 121.76 122.86 3dll s ALA 110 Ca 0.38 1.13 -0.28 0.00 0.00 0.00 0.00 51.96 53.19 3dll s ALA 110 Cb 0.01 -3.54 0.04 0.00 0.00 0.00 0.00 23.12 19.64 3dll s ALA 110 CO 0.27 -1.75 0.52 0.54 0.00 0.00 0.00 175.76 175.34 3dll n ARG 111 N -2.21 -1.77 0.00 0.00 1.74 -1.26 -4.11 116.66 109.05 3dll n ARG 111 Ca 0.15 1.46 0.00 0.00 -0.77 0.00 0.00 57.85 58.70 3dll n ARG 111 Cb 0.49 -2.48 0.00 0.00 -1.02 0.00 0.00 32.46 29.45 3dll n ARG 111 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dll n GLY 112 N 0.09 -0.13 2.41 -0.13 0.00 -1.25 -4.86 105.19 101.32 3dll n GLY 112 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 3dll n GLY 112 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dll n SER 113 N 0.00 -1.01 -4.20 1.61 3.41 -1.26 -4.32 113.62 107.85 3dll n SER 113 Ca 0.00 0.78 -0.16 0.00 -0.26 0.00 0.00 58.87 59.23 3dll n SER 113 Cb 0.00 -0.67 -0.11 0.00 -0.26 0.00 0.00 64.21 63.17 3dll n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dll s ALA 114 N -0.76 1.27 0.33 7.33 0.00 -1.26 -1.07 121.76 127.60 3dll s ALA 114 Ca 0.45 -1.23 0.08 0.00 0.00 0.00 0.00 51.96 51.26 3dll s ALA 114 Cb -0.64 -0.02 -0.06 0.00 0.00 0.00 0.00 23.12 22.40 3dll s ALA 114 CO 0.40 0.02 -0.07 -0.80 0.00 0.00 0.00 175.76 175.32 3dll s ASN 115 N -2.44 3.37 -0.11 0.00 0.01 0.41 -4.90 114.94 111.28 3dll s ASN 115 Ca 0.07 -1.22 0.00 0.00 -0.71 0.00 0.00 52.86 51.01 3dll s ASN 115 Cb -0.04 -0.28 -0.02 0.00 0.41 0.00 0.00 41.25 41.32 3dll s ASN 115 CO 0.01 -0.28 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.57 3dll s ILE 116 N -2.78 3.14 0.05 0.60 1.01 -1.26 0.15 121.20 122.12 3dll s ILE 116 Ca 0.32 -0.65 -0.01 0.00 0.00 0.00 0.00 60.65 60.32 3dll s ILE 116 Cb 0.04 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 3dll s ILE 116 CO 0.15 0.54 0.21 -0.63 0.00 0.00 0.00 174.94 175.21 3dll s ILE 117 N 0.08 5.39 -0.40 2.92 1.01 0.81 -4.90 121.20 126.10 3dll s ILE 117 Ca -0.05 -0.33 -0.03 0.00 0.00 0.00 0.00 60.65 60.24 3dll s ILE 117 Cb -0.15 -3.62 0.10 0.00 0.01 0.00 0.00 42.46 38.81 3dll s ILE 117 CO 0.04 0.17 0.19 -0.54 0.00 0.00 0.00 174.94 174.80 3dll s LYS 118 N -2.42 2.07 -0.92 2.79 1.02 -1.26 -0.39 119.74 120.63 3dll s LYS 118 Ca 0.34 -1.76 -0.19 0.00 0.02 0.00 0.00 55.97 54.39 3dll s LYS 118 Cb -0.13 -3.57 0.13 0.00 -0.52 0.00 0.00 37.83 33.74 3dll s LYS 118 CO 0.26 -1.03 1.11 0.15 -0.92 0.00 0.00 175.35 174.92 3dll s LYS 119 N 1.17 3.59 1.29 1.68 1.02 0.12 -4.94 119.74 123.67 3dll s LYS 119 Ca 0.07 -1.77 -0.20 0.00 0.02 0.00 0.00 55.97 54.09 3dll s LYS 119 Cb -0.23 -4.89 0.32 0.00 -0.52 0.00 0.00 37.83 32.51 3dll s LYS 119 CO -0.04 -1.76 1.03 1.03 -0.92 0.00 0.00 175.35 174.69 3dll s ARG 120 N 2.63 -1.90 -0.08 1.68 0.52 -1.26 -2.23 118.95 118.32 3dll s ARG 120 Ca 0.32 0.10 -0.18 0.00 -0.52 0.00 0.00 55.73 55.46 3dll s ARG 120 Cb -0.05 -1.50 0.04 0.00 0.52 0.00 0.00 34.95 33.96 3dll s ARG 120 CO -0.09 -4.19 0.42 0.95 0.02 0.00 0.00 175.30 172.41 3dll s THR 121 N -2.65 0.03 0.28 0.02 -4.23 -1.22 -3.45 115.64 104.41 3dll s THR 121 Ca 0.70 -0.21 0.09 0.00 -1.18 0.00 0.00 61.69 61.09 3dll s THR 121 Cb -0.13 -0.68 -0.05 0.00 1.34 0.00 0.00 72.50 72.98 3dll s THR 121 CO 0.58 -0.11 -0.13 -0.44 -0.54 0.00 0.00 174.62 173.97 3dll s SER 122 N -0.68 3.17 -0.48 3.99 0.01 0.30 0.17 113.70 120.18 3dll s SER 122 Ca -0.08 -1.10 -0.04 0.00 1.31 0.00 0.00 55.95 56.04 3dll s SER 122 Cb -0.04 -0.24 0.13 0.00 0.21 0.00 0.00 66.02 66.08 3dll s SER 122 CO 0.04 -0.16 0.30 -1.00 0.41 0.00 0.00 173.24 172.83 3dll s HIS 123 N -2.77 3.52 -0.31 2.43 3.76 -1.06 -0.25 115.29 120.62 3dll s HIS 123 Ca 0.29 -2.38 -0.23 0.00 -0.15 0.00 0.00 55.06 52.58 3dll s HIS 123 Cb -0.00 -3.28 0.00 0.00 1.11 0.00 0.00 32.58 30.41 3dll s HIS 123 CO 0.13 -0.95 0.79 0.42 -0.85 0.00 0.00 174.74 174.28 3dll s ILE 124 N 0.88 4.79 -0.06 0.60 -1.09 -1.11 -3.27 121.20 121.93 3dll s ILE 124 Ca 0.10 1.17 0.01 0.00 -2.23 0.00 0.00 60.65 59.71 3dll s ILE 124 Cb -0.23 -4.15 0.02 0.00 -1.58 0.00 0.00 42.46 36.52 3dll s ILE 124 CO -0.03 -0.26 -0.08 0.42 -1.23 0.00 0.00 174.94 173.76 3dll s THR 125 N 2.97 0.83 0.14 2.92 -4.23 -0.93 0.15 115.64 117.49 3dll s THR 125 Ca 0.32 -0.27 0.09 0.00 -1.18 0.00 0.00 61.69 60.65 3dll s THR 125 Cb -0.14 -0.81 -0.04 0.00 1.34 0.00 0.00 72.50 72.85 3dll s THR 125 CO 0.13 0.29 -0.22 -0.51 -0.54 0.00 0.00 174.62 173.77 3dll s ILE 126 N 0.95 1.97 -0.22 2.99 2.07 -0.30 -1.77 121.20 126.89 3dll s ILE 126 Ca -0.10 -1.79 -0.04 0.00 -1.41 0.00 0.00 60.65 57.31 3dll s ILE 126 Cb -0.15 -1.83 0.07 0.00 0.13 0.00 0.00 42.46 40.68 3dll s ILE 126 CO 0.00 -0.12 0.08 -0.63 -1.91 0.00 0.00 174.94 172.36 3dll s ILE 127 N -1.51 0.22 0.49 2.00 1.01 0.35 -2.02 121.20 121.75 3dll s ILE 127 Ca 0.13 -0.54 -0.07 0.00 0.00 0.00 0.00 60.65 60.17 3dll s ILE 127 Cb -0.08 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 41.42 3dll s ILE 127 CO 0.06 -0.39 0.82 0.68 0.00 0.00 0.00 174.94 176.12 3dll s VAL 128 N 1.98 4.87 0.00 2.92 -7.23 -0.28 -0.60 120.40 122.06 3dll s VAL 128 Ca 0.03 0.34 0.00 0.00 -1.81 0.00 0.00 61.98 60.55 3dll s VAL 128 Cb -0.16 -3.85 0.00 0.00 0.56 0.00 0.00 36.38 32.92 3dll s VAL 128 CO -0.16 -0.86 0.00 0.00 -0.31 0.00 0.00 175.10 173.77 3dll n ALA 129 N -2.23 0.00 -3.53 1.32 0.00 -1.18 -4.28 120.51 110.61 3dll n ALA 129 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.12 3dll n ALA 129 Cb 0.55 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.85 3dll n ALA 129 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3dll s GLU 130 N -0.64 3.20 0.04 0.00 2.02 -1.25 -3.42 118.70 118.65 3dll s GLU 130 Ca 0.00 -0.75 -0.24 0.00 0.02 0.00 0.00 54.97 54.00 3dll s GLU 130 Cb 0.00 -2.65 -0.13 0.00 0.10 0.00 0.00 34.13 31.45 3dll s GLU 130 CO 0.00 -0.03 1.33 -0.22 0.02 0.00 0.00 175.26 176.36 3dll h LYS 131 N 7.44 -0.83 0.00 1.61 1.63 -1.94 -3.47 116.57 121.01 3dll h LYS 131 Ca -0.35 0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.51 3dll h LYS 131 Cb 1.18 0.19 0.00 0.00 -0.60 0.00 0.00 32.23 33.00 3dll h LYS 131 CO 0.58 -0.55 0.00 0.41 -3.45 0.00 0.00 179.45 176.44 3dll n GLY 132 N -1.34 1.02 0.93 5.01 0.00 -1.26 -4.76 105.19 104.79 3dll n GLY 132 Ca -0.11 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.27 3dll n GLY 132 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dll n ASN 133 N -3.02 0.00 0.00 1.61 4.13 -1.26 -5.18 115.26 111.54 3dll n ASN 133 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 3dll n ASN 133 Cb 0.00 0.19 0.00 0.00 -1.54 0.00 0.00 39.78 38.43 3dll n ASN 133 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71