#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3eea s GLY 10 N 0.00 2.51 0.00 0.46 0.00 -1.26 -4.94 107.32 104.10 3eea s GLY 10 Ca 0.00 0.99 0.29 0.00 0.00 0.00 0.00 44.72 46.00 3eea s GLY 10 CO 0.00 1.41 1.85 1.04 0.00 0.00 0.00 173.10 177.40 3eea n LEU 11 N -2.45 0.86 -3.84 0.66 4.32 -1.26 -4.92 117.00 110.37 3eea n LEU 11 Ca 0.14 -0.24 -0.09 0.00 -0.02 0.00 0.00 56.01 55.81 3eea n LEU 11 Cb 0.50 -0.06 0.01 0.00 -1.62 0.00 0.00 43.42 42.24 3eea n LEU 11 CO 0.47 0.15 0.48 0.28 -1.22 0.00 0.00 177.39 177.55 3eea s THR 12 N -2.18 0.00 0.33 -5.08 -1.32 -1.26 -5.12 115.64 101.01 3eea s THR 12 Ca 0.36 -1.06 -0.16 0.00 -1.21 0.00 0.00 61.69 59.62 3eea s THR 12 Cb 0.21 -2.71 0.03 0.00 -1.51 0.00 0.00 72.50 68.52 3eea s THR 12 CO 0.40 0.00 0.71 1.51 -2.21 0.00 0.00 174.62 175.03 3eea s ASP 13 N -3.06 -0.03 0.18 8.08 1.47 -1.26 -5.01 116.67 117.04 3eea s ASP 13 Ca 0.16 -0.95 -0.13 0.00 1.18 0.00 0.00 52.55 52.81 3eea s ASP 13 Cb -0.05 0.77 0.15 0.00 -0.34 0.00 0.00 42.92 43.45 3eea s ASP 13 CO 0.11 -1.48 1.78 0.58 0.68 0.00 0.00 175.17 176.84 3eea h VAL 14 N 2.03 0.93 -0.62 2.11 2.07 -1.96 -0.83 116.25 119.98 3eea h VAL 14 Ca -0.26 -0.16 0.08 0.00 0.82 0.00 0.00 66.70 67.17 3eea h VAL 14 Cb 1.25 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 31.38 3eea h VAL 14 CO 0.33 0.09 0.29 -0.78 0.02 0.00 0.00 177.57 177.52 3eea h ASP 15 N 0.47 0.38 -0.17 0.57 3.58 -1.99 -1.49 116.42 117.77 3eea h ASP 15 Ca 0.23 0.05 -0.13 0.00 0.42 0.00 0.00 57.03 57.60 3eea h ASP 15 Cb 0.16 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 3eea h ASP 15 CO -0.18 0.24 -0.36 -0.33 -2.88 0.00 0.00 179.24 175.73 3eea h GLU 16 N 0.53 0.69 -0.55 0.28 4.39 -1.64 -1.35 114.58 116.92 3eea h GLU 16 Ca 0.30 -0.33 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 3eea h GLU 16 Cb 0.28 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 3eea h GLU 16 CO -0.24 0.94 0.21 0.28 -1.16 0.00 0.00 179.01 179.04 3eea h VAL 17 N 0.57 1.22 -0.54 3.13 2.07 -0.79 -0.33 116.25 121.59 3eea h VAL 17 Ca 0.06 -0.70 -0.09 0.00 0.82 0.00 0.00 66.70 66.79 3eea h VAL 17 Cb 0.88 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 3eea h VAL 17 CO 0.08 0.27 -0.01 0.40 0.02 0.00 0.00 177.57 178.33 3eea h ILE 18 N 0.75 1.26 -0.43 4.57 1.08 -1.04 0.14 117.51 123.83 3eea h ILE 18 Ca 0.18 -1.09 -0.01 0.00 -0.39 0.00 0.00 64.86 63.55 3eea h ILE 18 Cb 0.21 0.85 -0.02 0.00 -3.07 0.00 0.00 36.82 34.79 3eea h ILE 18 CO -0.01 0.39 0.22 0.11 -0.69 0.00 0.00 178.15 178.17 3eea h LYS 19 N 0.85 0.60 -0.35 2.37 1.57 -1.02 -0.96 116.57 119.64 3eea h LYS 19 Ca 0.16 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3eea h LYS 19 Cb 0.51 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 3eea h LYS 19 CO 0.03 0.50 0.22 -0.44 -0.57 0.00 0.00 179.45 179.19 3eea h ASP 20 N 0.55 0.41 -0.30 0.86 3.32 -0.69 -0.25 116.42 120.32 3eea h ASP 20 Ca 0.15 -0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.19 3eea h ASP 20 Cb 0.09 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 3eea h ASP 20 CO -0.02 0.32 0.13 0.25 -1.72 0.00 0.00 179.24 178.19 3eea h LEU 21 N 0.46 0.17 -0.55 1.55 5.85 -0.61 -1.55 115.31 120.63 3eea h LEU 21 Ca 0.13 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.89 3eea h LEU 21 Cb -0.02 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3eea h LEU 21 CO -0.03 0.13 0.34 0.28 -0.34 0.00 0.00 178.44 178.82 3eea h SER 22 N 0.28 0.55 -0.67 1.25 0.02 -0.89 0.00 113.55 114.08 3eea h SER 22 Ca 0.13 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 3eea h SER 22 Cb 0.07 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 3eea h SER 22 CO -0.11 0.39 0.24 0.03 -1.14 0.00 0.00 176.83 176.24 3eea h ARG 23 N 0.67 1.03 -0.26 3.45 3.08 -0.81 -1.15 114.38 120.39 3eea h ARG 23 Ca 0.22 -0.20 -0.18 0.00 0.07 0.00 0.00 59.98 59.88 3eea h ARG 23 Cb 0.01 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.90 3eea h ARG 23 CO -0.09 0.87 -0.56 -0.07 -1.07 0.00 0.00 179.97 179.06 3eea h LEU 24 N 0.97 0.94 -0.49 3.04 3.38 -0.93 -1.30 115.31 120.91 3eea h LEU 24 Ca 0.22 -0.55 0.01 0.00 0.09 0.00 0.00 57.88 57.65 3eea h LEU 24 Cb 0.25 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3eea h LEU 24 CO -0.01 1.31 0.32 -0.07 0.09 0.00 0.00 178.44 180.08 3eea h LEU 25 N 0.60 0.55 -0.91 1.67 3.38 -0.88 -0.77 115.31 118.96 3eea h LEU 25 Ca 0.00 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3eea h LEU 25 Cb 1.17 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 3eea h LEU 25 CO 0.12 0.40 -0.25 0.03 0.09 0.00 0.00 178.44 178.83 3eea h ARG 26 N 0.66 0.52 -0.30 1.13 2.47 -1.11 -0.53 114.38 117.21 3eea h ARG 26 Ca 0.18 -0.20 -0.11 0.00 -1.26 0.00 0.00 59.98 58.60 3eea h ARG 26 Cb -0.06 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.22 3eea h ARG 26 CO -0.05 0.72 -0.25 -0.22 0.56 0.00 0.00 179.97 180.73 3eea h LYS 27 N 0.46 0.70 0.00 0.04 3.64 -0.82 -3.37 116.57 117.21 3eea h LYS 27 Ca 0.07 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 3eea h LYS 27 Cb 0.68 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 3eea h LYS 27 CO 0.05 0.97 -1.61 1.28 -2.27 0.00 0.00 179.45 177.86 3eea n LEU 28 N -4.28 0.32 -3.71 5.20 4.77 -0.33 -4.75 117.00 114.21 3eea n LEU 28 Ca -0.04 0.05 -0.27 0.00 -0.03 0.00 0.00 56.01 55.72 3eea n LEU 28 Cb 0.45 -0.02 -0.16 0.00 -2.33 0.00 0.00 43.42 41.35 3eea n LEU 28 CO 0.44 -0.03 -0.36 -0.69 -1.33 0.00 0.00 177.39 175.43 3eea s VAL 29 N -3.42 0.42 0.13 4.08 1.01 -0.23 -5.08 120.40 117.31 3eea s VAL 29 Ca -0.04 -0.51 -0.31 0.00 0.00 0.00 0.00 61.98 61.11 3eea s VAL 29 Cb 0.13 -0.97 -0.10 0.00 0.00 0.00 0.00 36.38 35.45 3eea s VAL 29 CO 0.87 -0.24 1.70 -0.54 0.00 0.00 0.00 175.10 176.89 3eea s LYS 30 N 1.90 4.17 0.08 2.72 1.02 -1.26 -4.38 119.74 123.99 3eea s LYS 30 Ca -0.00 2.46 0.00 0.00 0.02 0.00 0.00 55.97 58.46 3eea s LYS 30 Cb -0.17 -3.43 -0.04 0.00 -0.52 0.00 0.00 37.83 33.67 3eea s LYS 30 CO -0.09 -0.75 -0.04 0.95 -0.92 0.00 0.00 175.35 174.50 3eea s THR 31 N 2.17 0.46 -0.06 2.17 -4.23 -1.26 -4.96 115.64 109.92 3eea s THR 31 Ca 0.76 -1.88 -0.27 0.00 -1.18 0.00 0.00 61.69 59.12 3eea s THR 31 Cb -0.44 -1.64 -0.22 0.00 1.34 0.00 0.00 72.50 71.53 3eea s THR 31 CO 0.33 -0.90 1.09 -0.09 -0.54 0.00 0.00 174.62 174.51 3eea h ARG 32 N 3.03 0.02 -3.52 3.99 2.43 -0.86 -3.49 114.38 115.98 3eea h ARG 32 Ca -0.35 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 58.75 3eea h ARG 32 Cb 1.16 0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 30.59 3eea h ARG 32 CO 0.65 0.69 -0.12 1.67 -1.51 0.00 0.00 179.97 181.35 3eea s TRP 33 N -3.50 0.03 0.08 2.20 1.48 -1.18 -4.62 118.94 113.43 3eea s TRP 33 Ca -0.17 -0.39 0.06 0.00 -1.06 0.00 0.00 56.10 54.55 3eea s TRP 33 Cb 0.00 0.21 -0.03 0.00 -1.16 0.00 0.00 33.47 32.48 3eea s TRP 33 CO 0.68 -0.79 -0.17 0.96 -4.06 0.00 0.00 176.95 173.57 3eea s ILE 34 N -3.89 1.35 -0.05 0.66 -4.36 -0.31 -1.30 121.20 113.30 3eea s ILE 34 Ca 0.10 -1.40 -0.01 0.00 -0.26 0.00 0.00 60.65 59.08 3eea s ILE 34 Cb 0.01 -1.26 0.03 0.00 1.25 0.00 0.00 42.46 42.49 3eea s ILE 34 CO -0.04 -0.16 0.02 0.00 0.24 0.00 0.00 174.94 175.00 3eea s ALA 35 N -1.24 0.39 -0.08 2.27 0.00 0.04 -0.98 121.76 122.15 3eea s ALA 35 Ca 0.01 0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.07 3eea s ALA 35 Cb -0.10 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.43 3eea s ALA 35 CO 0.03 -0.35 -0.08 0.08 0.00 0.00 0.00 175.76 175.44 3eea s VAL 36 N 1.75 3.55 0.09 0.00 1.01 0.63 -0.78 120.40 126.65 3eea s VAL 36 Ca 0.00 -0.52 0.06 0.00 0.00 0.00 0.00 61.98 61.52 3eea s VAL 36 Cb -0.13 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 3eea s VAL 36 CO -0.03 0.58 -0.16 -0.31 0.00 0.00 0.00 175.10 175.17 3eea s TYR 37 N -0.52 1.39 -0.03 5.22 2.02 -0.14 -0.39 117.35 124.91 3eea s TYR 37 Ca 0.08 -0.46 -0.02 0.00 -0.37 0.00 0.00 57.07 56.29 3eea s TYR 37 Cb -0.12 -0.77 -0.04 0.00 -0.40 0.00 0.00 41.96 40.64 3eea s TYR 37 CO 0.02 0.11 0.11 -0.06 -1.57 0.00 0.00 175.55 174.16 3eea s PHE 38 N -1.37 3.39 -0.17 2.71 0.08 0.33 -1.22 117.98 121.74 3eea s PHE 38 Ca 0.02 0.29 -0.18 0.00 0.12 0.00 0.00 56.93 57.17 3eea s PHE 38 Cb -0.09 -1.79 -0.04 0.00 -0.57 0.00 0.00 43.02 40.53 3eea s PHE 38 CO 0.03 0.60 0.51 0.12 -0.10 0.00 0.00 175.22 176.37 3eea s PHE 39 N -1.19 3.43 0.00 0.36 5.36 -0.02 -0.63 117.98 125.30 3eea s PHE 39 Ca 0.22 0.82 0.00 0.00 -0.96 0.00 0.00 56.93 57.02 3eea s PHE 39 Cb -0.12 -2.63 0.00 0.00 -0.34 0.00 0.00 43.02 39.93 3eea s PHE 39 CO 0.13 -0.00 0.00 -0.40 -1.46 0.00 0.00 175.22 173.49 3eea n ASP 40 N 4.37 0.00 -3.99 6.13 5.75 -1.26 -4.77 116.55 122.78 3eea n ASP 40 Ca -0.05 0.00 -0.35 0.00 -0.01 0.00 0.00 54.79 54.37 3eea n ASP 40 Cb 0.51 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.54 3eea n ASP 40 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3eea n ARG 44 N -0.60 2.85 -4.10 0.11 5.12 -1.26 -4.90 116.66 113.89 3eea n ARG 44 Ca 0.00 -4.52 -0.12 0.00 -1.93 0.00 0.00 57.85 51.28 3eea n ARG 44 Cb 0.00 -2.40 -0.07 0.00 -1.16 0.00 0.00 32.46 28.83 3eea n ARG 44 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 3eea s ASP 45 N -0.75 0.34 -0.21 0.55 1.47 -1.26 -4.47 116.67 112.33 3eea s ASP 45 Ca 0.30 -1.26 -0.13 0.00 1.18 0.00 0.00 52.55 52.64 3eea s ASP 45 Cb -0.02 0.54 -0.04 0.00 -0.34 0.00 0.00 42.92 43.05 3eea s ASP 45 CO -0.08 -1.08 0.28 -0.36 0.68 0.00 0.00 175.17 174.61 3eea s PHE 46 N -3.79 3.36 -0.16 2.11 0.08 -0.35 -4.56 117.98 114.67 3eea s PHE 46 Ca 0.31 0.44 -0.06 0.00 0.12 0.00 0.00 56.93 57.73 3eea s PHE 46 Cb 0.02 -2.39 -0.04 0.00 -0.57 0.00 0.00 43.02 40.05 3eea s PHE 46 CO 0.14 0.06 0.06 0.00 -0.10 0.00 0.00 175.22 175.37 3eea s ALA 47 N 1.09 3.42 0.27 5.36 0.00 0.20 -1.70 121.76 130.40 3eea s ALA 47 Ca 0.13 -0.74 -0.30 0.00 0.00 0.00 0.00 51.96 51.05 3eea s ALA 47 Cb -0.14 -1.85 -0.12 0.00 0.00 0.00 0.00 23.12 21.02 3eea s ALA 47 CO 0.06 0.28 1.63 -1.25 0.00 0.00 0.00 175.76 176.48 3eea s PRO 48 N 0.07 4.12 -0.05 0.00 0.04 -1.26 -0.51 135.00 137.41 3eea s PRO 48 Ca 0.05 2.59 -0.09 0.00 0.04 0.00 0.00 61.00 63.59 3eea s PRO 48 Cb -0.12 -3.03 -0.03 0.00 0.04 0.00 0.00 34.50 31.35 3eea s PRO 48 CO 0.01 -0.67 -0.18 0.00 0.04 0.00 0.00 177.00 176.20 3eea n ALA 49 N 2.64 1.93 -3.59 8.56 0.00 0.48 -4.80 120.51 125.73 3eea n ALA 49 Ca 0.10 -0.42 -0.14 0.00 0.00 0.00 0.00 53.44 52.98 3eea n ALA 49 Cb 0.37 0.15 -0.07 0.00 0.00 0.00 0.00 19.45 19.90 3eea n ALA 49 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3eea s ARG 50 N -2.45 0.83 0.21 0.00 3.52 -0.93 -5.00 118.95 115.13 3eea s ARG 50 Ca -0.15 0.63 0.11 0.00 -0.13 0.00 0.00 55.73 56.19 3eea s ARG 50 Cb 0.02 0.40 -0.05 0.00 -1.56 0.00 0.00 34.95 33.77 3eea s ARG 50 CO 0.22 -0.17 -0.22 -1.54 -0.81 0.00 0.00 175.30 172.78 3eea s SER 51 N -0.26 3.31 -0.04 -2.12 1.04 -1.26 -0.27 113.70 114.10 3eea s SER 51 Ca -0.03 -0.91 -0.00 0.00 0.48 0.00 0.00 55.95 55.49 3eea s SER 51 Cb -0.03 -0.24 0.03 0.00 0.10 0.00 0.00 66.02 65.87 3eea s SER 51 CO 0.03 0.06 0.00 -0.89 0.98 0.00 0.00 173.24 173.42 3eea s THR 52 N -1.99 0.23 0.00 2.02 2.01 -0.15 -4.88 115.64 112.88 3eea s THR 52 Ca 0.22 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.32 3eea s THR 52 Cb -0.07 -0.35 0.00 0.00 0.01 0.00 0.00 72.50 72.10 3eea s THR 52 CO 0.10 0.18 0.00 0.61 -0.69 0.00 0.00 174.62 174.82 3eea n GLY 53 N 4.42 0.78 3.77 4.40 0.00 -1.26 -1.16 105.19 116.14 3eea n GLY 53 Ca -0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 3eea n GLY 53 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3eea s LEU 54 N 0.00 4.24 0.45 0.99 1.43 -1.26 -4.56 118.68 119.97 3eea s LEU 54 Ca 0.00 2.60 -0.25 0.00 -1.03 0.00 0.00 54.13 55.45 3eea s LEU 54 Cb 0.00 -3.88 -0.09 0.00 0.03 0.00 0.00 46.19 42.25 3eea s LEU 54 CO 0.00 -0.77 1.36 -2.65 0.23 0.00 0.00 176.35 174.53 3eea n PRO 55 N 0.23 2.07 -0.29 1.29 -0.02 -1.26 -4.90 135.00 132.13 3eea n PRO 55 Ca 0.03 0.74 0.10 0.00 -2.02 0.00 0.00 63.50 62.36 3eea n PRO 55 Cb 0.44 -2.53 0.21 0.00 -0.02 0.00 0.00 33.50 31.60 3eea n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3eea n ALA 56 N -0.29 0.36 0.28 3.55 0.00 -1.26 -1.66 120.51 121.49 3eea n ALA 56 Ca 0.06 0.88 0.17 0.00 0.00 0.00 0.00 53.44 54.55 3eea n ALA 56 Cb 0.41 -0.61 0.77 0.00 0.00 0.00 0.00 19.45 20.02 3eea n ALA 56 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3eea h SER 57 N 0.00 0.00 -0.03 0.00 4.64 -2.04 -1.90 113.55 114.22 3eea h SER 57 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 3eea h SER 57 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 3eea h SER 57 CO -0.79 0.04 -0.07 0.49 -0.87 0.00 0.00 176.83 175.63 3eea n PHE 58 N -3.18 0.00 -0.30 4.77 3.72 -0.67 -4.37 117.46 117.43 3eea n PHE 58 Ca -0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.35 3eea n PHE 58 Cb 0.26 -0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.87 3eea n PHE 58 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3eea h LEU 59 N 4.27 1.01 -1.31 4.37 3.38 -1.36 -0.23 115.31 125.45 3eea h LEU 59 Ca 0.00 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3eea h LEU 59 Cb 0.94 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 3eea h LEU 59 CO 0.00 0.83 0.27 -0.65 0.09 0.00 0.00 178.44 178.98 3eea h PRO 60 N 1.12 0.74 -0.05 1.13 0.11 -1.77 0.01 132.00 133.29 3eea h PRO 60 Ca 0.28 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 66.31 3eea h PRO 60 Cb 0.05 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.01 3eea h PRO 60 CO -0.04 0.57 0.01 0.28 -0.21 0.00 0.00 178.00 178.61 3eea h VAL 61 N 0.75 1.18 -0.42 3.15 2.07 -1.64 -2.13 116.25 119.21 3eea h VAL 61 Ca 0.19 -0.55 0.02 0.00 0.82 0.00 0.00 66.70 67.18 3eea h VAL 61 Cb 0.05 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3eea h VAL 61 CO -0.03 0.15 0.23 0.15 0.02 0.00 0.00 177.57 178.10 3eea h PHE 62 N -0.12 0.44 0.00 1.57 3.57 -0.70 -0.43 116.94 121.26 3eea h PHE 62 Ca 0.02 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 3eea h PHE 62 Cb 0.23 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 3eea h PHE 62 CO 0.00 0.25 -0.27 0.00 -2.23 0.00 0.00 178.31 176.05 3eea h ARG 63 N 0.47 0.00 -0.05 1.11 3.08 -0.93 -3.28 114.38 114.78 3eea h ARG 63 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3eea h ARG 63 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3eea h ARG 63 CO -0.09 0.27 0.00 0.39 -1.07 0.00 0.00 179.97 179.47 3eea n GLU 64 N -3.81 0.58 -3.58 0.04 1.02 -0.81 -4.87 120.64 109.20 3eea n GLU 64 Ca -0.01 -1.11 -0.40 0.00 -0.02 0.00 0.00 57.16 55.61 3eea n GLU 64 Cb 0.37 -1.15 -0.07 0.00 -0.02 0.00 0.00 31.44 30.57 3eea n GLU 64 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 3eea s MET 65 N -0.68 2.83 0.68 3.49 1.75 -0.20 -5.04 119.30 122.13 3eea s MET 65 Ca 0.10 -2.38 -0.16 0.00 -1.25 0.00 0.00 55.69 51.99 3eea s MET 65 Cb 0.06 -3.96 0.01 0.00 2.84 0.00 0.00 34.83 33.79 3eea s MET 65 CO 0.09 -1.21 1.21 -2.14 -0.65 0.00 0.00 175.02 172.33 3eea s PRO 66 N 0.24 2.46 -0.25 4.11 0.02 -1.26 -4.78 135.00 135.54 3eea s PRO 66 Ca 0.15 1.80 -0.04 0.00 0.02 0.00 0.00 61.00 62.92 3eea s PRO 66 Cb -0.18 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.47 3eea s PRO 66 CO -0.05 -1.60 -0.00 -0.51 -0.33 0.00 0.00 177.00 174.51 3eea s LEU 67 N -4.74 3.28 -0.26 -5.54 1.43 -0.69 -4.96 118.68 107.20 3eea s LEU 67 Ca 0.76 -0.58 -0.10 0.00 -1.03 0.00 0.00 54.13 53.18 3eea s LEU 67 Cb -0.30 -1.78 -0.05 0.00 0.03 0.00 0.00 46.19 44.10 3eea s LEU 67 CO 0.41 -0.09 0.16 0.00 0.23 0.00 0.00 176.35 177.06 3eea s ALA 68 N 1.46 3.49 0.44 4.21 0.00 -1.26 -1.21 121.76 128.89 3eea s ALA 68 Ca 0.04 -1.04 0.10 0.00 0.00 0.00 0.00 51.96 51.06 3eea s ALA 68 Cb -0.16 -2.36 0.98 0.00 0.00 0.00 0.00 23.12 21.58 3eea s ALA 68 CO -0.01 -0.43 2.07 -1.35 0.00 0.00 0.00 175.76 176.03 3eea h PRO 69 N 8.09 0.40 0.00 0.00 0.11 -1.85 -0.76 132.00 137.99 3eea h PRO 69 Ca -0.36 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.72 3eea h PRO 69 Cb 1.18 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3eea h PRO 69 CO 0.58 0.26 -0.01 0.22 -0.21 0.00 0.00 178.00 178.85 3eea h ASP 70 N 0.41 0.00 0.00 -2.05 3.58 -1.94 -2.82 116.42 113.60 3eea h ASP 70 Ca 0.14 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.59 3eea h ASP 70 Cb 0.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.09 3eea h ASP 70 CO -0.03 0.01 -1.76 0.29 -2.88 0.00 0.00 179.24 174.87 3eea n LYS 71 N -3.61 0.61 -3.94 0.28 4.76 -0.37 -4.90 118.16 110.99 3eea n LYS 71 Ca -0.03 -0.15 -0.31 0.00 -2.87 0.00 0.00 58.31 54.95 3eea n LYS 71 Cb 0.09 -1.45 -0.15 0.00 -1.84 0.00 0.00 35.03 31.68 3eea n LYS 71 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3eea s ILE 72 N -3.27 1.78 0.33 -0.18 1.01 -0.72 -4.64 121.20 115.52 3eea s ILE 72 Ca -0.05 -1.87 0.01 0.00 0.00 0.00 0.00 60.65 58.74 3eea s ILE 72 Cb 0.13 -2.25 0.25 0.00 0.01 0.00 0.00 42.46 40.60 3eea s ILE 72 CO 0.80 -0.50 1.98 -0.65 0.00 0.00 0.00 174.94 176.57 3eea h PRO 73 N 7.80 0.88 -0.91 2.79 0.11 -1.67 -0.97 132.00 140.03 3eea h PRO 73 Ca -0.10 -0.07 0.20 0.00 0.11 0.00 0.00 66.00 66.15 3eea h PRO 73 Cb 1.03 -0.19 -0.11 0.00 0.11 0.00 0.00 31.00 31.83 3eea h PRO 73 CO 0.49 0.61 0.46 1.25 -0.21 0.00 0.00 178.00 180.59 3eea h LEU 74 N 0.90 0.49 -0.22 2.35 5.85 -1.28 0.69 115.31 124.09 3eea h LEU 74 Ca 0.24 0.13 -0.21 0.00 0.84 0.00 0.00 57.88 58.88 3eea h LEU 74 Cb -0.06 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3eea h LEU 74 CO -0.05 0.10 -0.92 0.25 -0.34 0.00 0.00 178.44 177.49 3eea h LEU 75 N 0.53 0.32 -0.46 2.25 5.85 -1.45 -0.70 115.31 121.65 3eea h LEU 75 Ca 0.55 -0.27 -0.06 0.00 0.84 0.00 0.00 57.88 58.95 3eea h LEU 75 Cb 0.97 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 3eea h LEU 75 CO -0.46 1.08 0.07 0.50 -0.34 0.00 0.00 178.44 179.29 3eea h LYS 76 N 0.13 0.76 -0.41 1.25 3.64 -0.76 -1.50 116.57 119.69 3eea h LYS 76 Ca -0.06 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.10 3eea h LYS 76 Cb 1.56 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.27 3eea h LYS 76 CO 0.14 0.78 0.20 0.77 -2.27 0.00 0.00 179.45 179.08 3eea h SER 77 N 0.63 0.53 -0.33 4.20 0.02 -0.66 -0.93 113.55 117.00 3eea h SER 77 Ca 0.14 -0.12 0.05 0.00 -0.84 0.00 0.00 61.79 61.02 3eea h SER 77 Cb 0.39 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.75 3eea h SER 77 CO 0.01 0.50 0.06 -0.03 -1.14 0.00 0.00 176.83 176.23 3eea h MET 78 N 0.52 0.17 -0.18 3.45 1.85 -1.01 -0.64 114.93 119.09 3eea h MET 78 Ca 0.14 -0.01 -0.03 0.00 -0.61 0.00 0.00 59.70 59.19 3eea h MET 78 Cb 0.11 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.09 3eea h MET 78 CO -0.02 0.11 -0.01 1.25 -0.40 0.00 0.00 176.91 177.85 3eea h LEU 79 N 0.18 0.31 0.17 3.39 5.85 -1.10 0.01 115.31 124.11 3eea h LEU 79 Ca 0.16 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.56 3eea h LEU 79 Cb 0.18 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3eea h LEU 79 CO -0.21 0.55 -0.15 0.03 -0.34 0.00 0.00 178.44 178.32 3eea h ARG 80 N 0.06 -0.33 0.00 1.25 2.47 -1.10 -3.26 114.38 113.47 3eea h ARG 80 Ca 0.05 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 3eea h ARG 80 Cb 0.40 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.79 3eea h ARG 80 CO 0.01 -0.22 -0.19 1.63 0.56 0.00 0.00 179.97 181.77 3eea n LYS 81 N -5.27 0.27 -3.81 0.04 5.02 -0.26 -4.93 118.16 109.22 3eea n LYS 81 Ca -0.08 0.17 -0.27 0.00 -2.02 0.00 0.00 58.31 56.11 3eea n LYS 81 Cb 0.19 -1.76 0.04 0.00 -0.02 0.00 0.00 35.03 33.47 3eea n LYS 81 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3eea n ARG 82 N -2.20 -5.87 -4.82 1.97 3.00 -0.02 -4.99 116.66 103.73 3eea n ARG 82 Ca 0.05 0.65 -0.30 0.00 -0.01 0.00 0.00 57.85 58.24 3eea n ARG 82 Cb 0.43 -5.51 -0.14 0.00 0.00 0.00 0.00 32.46 27.24 3eea n ARG 82 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 3eea s GLN 83 N -6.42 1.72 0.45 5.56 -0.21 -1.17 -4.96 119.66 114.63 3eea s GLN 83 Ca 0.51 -1.14 -0.22 0.00 0.02 0.00 0.00 55.36 54.53 3eea s GLN 83 Cb -0.25 -1.95 -0.08 0.00 1.00 0.00 0.00 33.01 31.73 3eea s GLN 83 CO 0.81 0.50 1.08 -3.38 -2.12 0.00 0.00 175.29 172.17 3eea s HIS 84 N -0.85 3.06 -0.01 0.91 -3.43 -1.26 -4.56 115.29 109.15 3eea s HIS 84 Ca 0.12 1.59 0.00 0.00 -0.80 0.00 0.00 55.06 55.97 3eea s HIS 84 Cb -0.10 -3.17 0.01 0.00 -1.43 0.00 0.00 32.58 27.89 3eea s HIS 84 CO 0.03 -0.94 0.01 -0.51 -2.00 0.00 0.00 174.74 171.33 3eea s LEU 85 N -3.06 1.66 -0.05 5.38 1.43 -0.23 -4.98 118.68 118.82 3eea s LEU 85 Ca 0.63 0.01 0.06 0.00 -1.03 0.00 0.00 54.13 53.80 3eea s LEU 85 Cb -0.22 -0.03 -0.01 0.00 0.03 0.00 0.00 46.19 45.96 3eea s LEU 85 CO 0.27 -0.05 -0.24 -0.32 0.23 0.00 0.00 176.35 176.24 3eea s MET 86 N 0.39 2.52 -0.23 1.70 1.75 -1.26 -0.18 119.30 123.99 3eea s MET 86 Ca -0.03 -0.88 -0.03 0.00 -1.25 0.00 0.00 55.69 53.50 3eea s MET 86 Cb -0.05 -2.19 0.01 0.00 2.84 0.00 0.00 34.83 35.44 3eea s MET 86 CO -0.01 0.43 -0.05 -0.51 -0.65 0.00 0.00 175.02 174.22 3eea s LEU 87 N -0.27 3.00 0.00 4.11 1.43 -0.02 -4.97 118.68 121.97 3eea s LEU 87 Ca -0.00 -0.61 0.26 0.00 -1.03 0.00 0.00 54.13 52.75 3eea s LEU 87 Cb -0.13 -1.70 0.63 0.00 0.03 0.00 0.00 46.19 45.02 3eea s LEU 87 CO 0.03 -0.07 1.50 0.35 0.23 0.00 0.00 176.35 178.39 3eea n THR 88 N 4.74 0.01 -3.11 5.49 -2.24 -1.26 -1.57 114.28 116.34 3eea n THR 88 Ca -0.18 -0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.44 3eea n THR 88 Cb 0.49 0.11 -0.01 0.00 -2.10 0.00 0.00 70.33 68.82 3eea n THR 88 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3eea n ASP 89 N -1.51 0.30 -0.15 3.42 8.00 -1.26 -4.60 116.55 120.76 3eea n ASP 89 Ca 0.06 -3.12 0.13 0.00 0.71 0.00 0.00 54.79 52.56 3eea n ASP 89 Cb 0.34 -0.19 0.47 0.00 -0.02 0.00 0.00 41.12 41.72 3eea n ASP 89 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 3eea h PRO 90 N 3.00 0.47 -0.96 -0.24 0.11 -1.77 -1.46 132.00 131.14 3eea h PRO 90 Ca 0.06 -0.03 0.17 0.00 0.11 0.00 0.00 66.00 66.31 3eea h PRO 90 Cb 0.99 -0.11 -0.09 0.00 0.11 0.00 0.00 31.00 31.91 3eea h PRO 90 CO 0.44 0.31 0.61 0.78 -0.21 0.00 0.00 178.00 179.93 3eea h GLY 91 N 0.49 1.46 -2.52 -0.55 0.00 -1.77 -2.08 103.07 98.10 3eea h GLY 91 Ca 0.33 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3eea h GLY 91 CO -0.11 0.03 0.00 -1.14 0.00 0.00 0.00 176.54 175.33 3eea n SER 92 N -4.64 3.70 -4.71 0.19 3.41 -0.56 -4.91 113.62 106.11 3eea n SER 92 Ca 0.20 -1.99 -0.39 0.00 -0.26 0.00 0.00 58.87 56.43 3eea n SER 92 Cb 0.52 -0.41 -0.06 0.00 -0.26 0.00 0.00 64.21 64.01 3eea n SER 92 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3eea s SER 93 N -1.16 6.73 0.00 4.04 0.15 -0.78 -4.94 113.70 117.74 3eea s SER 93 Ca 0.45 0.87 0.25 0.00 0.70 0.00 0.00 55.95 58.22 3eea s SER 93 Cb 0.24 -2.32 1.18 0.00 -1.71 0.00 0.00 66.02 63.41 3eea s SER 93 CO 0.32 -0.08 1.82 -0.90 1.20 0.00 0.00 173.24 175.61 3eea n ASP 94 N 3.99 0.00 -0.51 5.45 5.75 -1.26 -3.15 116.55 126.82 3eea n ASP 94 Ca -0.05 0.17 0.14 0.00 -0.01 0.00 0.00 54.79 55.04 3eea n ASP 94 Cb 0.51 -0.38 0.49 0.00 -1.03 0.00 0.00 41.12 40.72 3eea n ASP 94 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3eea n LEU 95 N -1.38 1.59 -4.67 -2.12 4.77 -1.26 -4.82 117.00 109.11 3eea n LEU 95 Ca 0.09 -0.53 -0.24 0.00 -0.03 0.00 0.00 56.01 55.31 3eea n LEU 95 Cb 0.24 -0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.25 3eea n LEU 95 CO 0.21 0.27 -0.27 -0.76 -1.33 0.00 0.00 177.39 175.50 3eea s LEU 96 N -2.01 3.13 0.61 2.23 1.02 -1.19 -0.71 118.68 121.76 3eea s LEU 96 Ca 0.37 -0.82 -0.14 0.00 0.02 0.00 0.00 54.13 53.55 3eea s LEU 96 Cb 0.21 -1.58 -0.03 0.00 0.02 0.00 0.00 46.19 44.81 3eea s LEU 96 CO 0.34 -0.19 1.04 0.28 0.02 0.00 0.00 176.35 177.84 3eea s THR 97 N -2.43 4.12 0.26 5.49 -1.32 -1.26 -4.86 115.64 115.63 3eea s THR 97 Ca 0.35 0.88 -0.03 0.00 -1.21 0.00 0.00 61.69 61.68 3eea s THR 97 Cb -0.03 -3.51 0.26 0.00 -1.51 0.00 0.00 72.50 67.72 3eea s THR 97 CO 0.21 -0.71 1.67 -0.65 -2.21 0.00 0.00 174.62 172.92 3eea h PRO 98 N 0.15 0.22 -0.35 7.08 0.11 -1.98 0.18 132.00 137.41 3eea h PRO 98 Ca -0.46 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.69 3eea h PRO 98 Cb 1.21 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.22 3eea h PRO 98 CO 0.59 0.14 0.05 -0.22 -0.21 0.00 0.00 178.00 178.35 3eea h LYS 99 N 0.22 0.16 -0.07 1.05 3.64 -2.00 -2.28 116.57 117.30 3eea h LYS 99 Ca 0.45 -0.01 -0.22 0.00 -1.27 0.00 0.00 60.65 59.61 3eea h LYS 99 Cb 0.82 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 3eea h LYS 99 CO -0.58 0.11 -0.84 -0.07 -2.27 0.00 0.00 179.45 175.80 3eea h LEU 100 N 0.17 0.69 -0.87 5.20 3.38 -1.45 -0.53 115.31 121.90 3eea h LEU 100 Ca 0.16 -0.49 0.17 0.00 0.09 0.00 0.00 57.88 57.82 3eea h LEU 100 Cb 0.20 -0.21 -0.10 0.00 0.09 0.00 0.00 40.66 40.64 3eea h LEU 100 CO -0.23 1.27 0.43 0.03 0.09 0.00 0.00 178.44 180.02 3eea h ARG 101 N 0.36 0.54 0.06 1.13 3.08 -0.64 0.14 114.38 119.04 3eea h ARG 101 Ca -0.06 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 59.84 3eea h ARG 101 Cb 1.45 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 31.39 3eea h ARG 101 CO 0.16 0.36 -0.48 0.87 -1.07 0.00 0.00 179.97 179.80 3eea h LYS 102 N 0.55 0.22 -1.00 0.04 1.57 -1.23 -2.40 116.57 114.33 3eea h LYS 102 Ca 0.49 -0.32 0.11 0.00 -1.87 0.00 0.00 60.65 59.07 3eea h LYS 102 Cb 0.79 0.11 -0.08 0.00 0.08 0.00 0.00 32.23 33.12 3eea h LYS 102 CO -0.41 1.10 0.63 -0.07 -0.57 0.00 0.00 179.45 180.13 3eea h LEU 103 N -0.51 0.93 -2.98 2.94 3.38 -0.87 -3.07 115.31 115.13 3eea h LEU 103 Ca -0.08 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3eea h LEU 103 Cb 1.32 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3eea h LEU 103 CO 0.09 0.51 0.00 0.18 0.09 0.00 0.00 178.44 179.32 3eea n LEU 104 N -4.59 3.35 0.26 1.67 4.77 0.46 -4.69 117.00 118.24 3eea n LEU 104 Ca 0.18 -2.27 0.11 0.00 -0.03 0.00 0.00 56.01 54.00 3eea n LEU 104 Cb 0.33 -0.34 0.74 0.00 -2.33 0.00 0.00 43.42 41.81 3eea n LEU 104 CO 0.28 0.74 1.09 0.08 -1.33 0.00 0.00 177.39 178.26 3eea h ARG 105 N 2.27 0.00 -0.63 3.23 0.11 -1.32 -1.95 114.38 116.08 3eea h ARG 105 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3eea h ARG 105 Cb 0.97 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.05 3eea h ARG 105 CO 0.07 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.23 3eea n ASN 106 N -4.29 3.61 -4.31 0.08 5.03 -1.26 -4.41 115.26 109.71 3eea n ASN 106 Ca -0.02 -2.12 -0.19 0.00 0.87 0.00 0.00 54.58 53.11 3eea n ASN 106 Cb 0.11 -0.46 -0.11 0.00 -1.02 0.00 0.00 39.78 38.31 3eea n ASN 106 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3eea s LEU 107 N -1.21 2.49 -0.22 3.41 1.43 -0.73 -1.99 118.68 121.85 3eea s LEU 107 Ca 0.43 -0.93 -0.08 0.00 -1.03 0.00 0.00 54.13 52.52 3eea s LEU 107 Cb 0.24 -0.65 -0.04 0.00 0.03 0.00 0.00 46.19 45.77 3eea s LEU 107 CO 0.26 -0.15 0.08 0.00 0.23 0.00 0.00 176.35 176.77 3eea s VAL 109 N 1.00 1.81 -0.20 0.00 1.01 -0.61 -1.31 120.40 122.10 3eea s VAL 109 Ca 0.04 -0.85 -0.08 0.00 0.00 0.00 0.00 61.98 61.10 3eea s VAL 109 Cb -0.14 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 3eea s VAL 109 CO 0.03 0.50 0.07 -0.22 0.00 0.00 0.00 175.10 175.49 3eea s LEU 110 N 0.69 3.74 -0.28 3.92 2.96 0.27 -0.84 118.68 129.15 3eea s LEU 110 Ca -0.12 0.01 -0.08 0.00 -0.22 0.00 0.00 54.13 53.73 3eea s LEU 110 Cb -0.16 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.55 3eea s LEU 110 CO 0.02 0.11 0.09 0.00 -1.32 0.00 0.00 176.35 175.26 3eea s ALA 111 N 0.74 3.16 -0.19 5.97 0.00 0.75 -0.82 121.76 131.38 3eea s ALA 111 Ca 0.04 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.72 3eea s ALA 111 Cb -0.13 -2.17 0.02 0.00 0.00 0.00 0.00 23.12 20.84 3eea s ALA 111 CO 0.02 -0.71 -0.18 0.08 0.00 0.00 0.00 175.76 174.97 3eea s VAL 112 N 1.58 2.24 0.40 0.00 1.01 -0.00 -1.07 120.40 124.56 3eea s VAL 112 Ca 0.05 -0.90 -0.23 0.00 0.00 0.00 0.00 61.98 60.90 3eea s VAL 112 Cb -0.16 -1.97 -0.10 0.00 0.00 0.00 0.00 36.38 34.15 3eea s VAL 112 CO 0.04 0.51 0.97 -2.16 0.00 0.00 0.00 175.10 174.45 3eea s PRO 113 N 1.31 4.31 -0.48 2.72 0.04 -1.26 -0.57 135.00 141.07 3eea s PRO 113 Ca 0.05 1.25 -0.18 0.00 0.04 0.00 0.00 61.00 62.16 3eea s PRO 113 Cb -0.13 -2.42 0.05 0.00 0.04 0.00 0.00 34.50 32.04 3eea s PRO 113 CO -0.11 0.03 0.54 -1.64 0.04 0.00 0.00 177.00 175.86 3eea s MET 114 N -2.74 3.10 -0.04 4.56 -1.94 0.02 -4.88 119.30 117.38 3eea s MET 114 Ca 0.58 -0.92 0.05 0.00 -1.71 0.00 0.00 55.69 53.69 3eea s MET 114 Cb -0.14 -4.07 -0.01 0.00 2.01 0.00 0.00 34.83 32.62 3eea s MET 114 CO 0.19 -1.09 -0.20 0.08 -0.01 0.00 0.00 175.02 173.99 3eea s VAL 115 N 2.34 1.64 -0.20 -6.03 1.01 -1.26 -0.60 120.40 117.30 3eea s VAL 115 Ca 0.13 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.28 3eea s VAL 115 Cb -0.19 -1.39 0.04 0.00 0.00 0.00 0.00 36.38 34.83 3eea s VAL 115 CO 0.12 0.46 -0.14 -0.69 0.00 0.00 0.00 175.10 174.85 3eea s VAL 116 N -0.10 1.87 -1.27 2.92 1.01 -0.48 -4.73 120.40 119.61 3eea s VAL 116 Ca -0.02 -1.07 -0.24 0.00 0.00 0.00 0.00 61.98 60.65 3eea s VAL 116 Cb -0.12 -1.84 0.03 0.00 0.00 0.00 0.00 36.38 34.45 3eea s VAL 116 CO 0.02 0.28 0.57 0.54 0.00 0.00 0.00 175.10 176.51 3eea n ARG 117 N 4.62 -0.77 -0.11 2.72 1.74 -1.26 -0.36 116.66 123.25 3eea n ARG 117 Ca -0.17 0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3eea n ARG 117 Cb 0.47 -3.14 0.00 0.00 -1.02 0.00 0.00 32.46 28.77 3eea n ARG 117 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3eea n THR 118 N -4.78 0.00 -3.29 0.55 -2.24 -1.26 -5.00 114.28 98.26 3eea n THR 118 Ca -0.16 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.24 3eea n THR 118 Cb 0.60 -0.03 -0.06 0.00 -2.10 0.00 0.00 70.33 68.74 3eea n THR 118 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3eea s GLN 119 N -0.06 4.25 -0.21 -0.78 0.74 0.52 -5.02 119.66 119.10 3eea s GLN 119 Ca 0.00 0.41 -0.25 0.00 0.05 0.00 0.00 55.36 55.57 3eea s GLN 119 Cb 0.00 -3.51 -0.01 0.00 1.10 0.00 0.00 33.01 30.59 3eea s GLN 119 CO 0.00 -0.01 0.81 0.08 -0.55 0.00 0.00 175.29 175.63 3eea s VAL 120 N 1.18 4.87 -1.01 1.34 1.01 -1.26 -1.38 120.40 125.15 3eea s VAL 120 Ca 0.24 1.56 0.10 0.00 0.00 0.00 0.00 61.98 63.89 3eea s VAL 120 Cb -0.15 -4.11 0.01 0.00 0.00 0.00 0.00 36.38 32.13 3eea s VAL 120 CO 0.10 -0.02 0.68 2.30 0.00 0.00 0.00 175.10 178.15 3eea n ILE 121 N 5.00 0.00 -1.65 2.22 -5.35 0.23 -4.82 119.36 114.98 3eea n ILE 121 Ca 0.05 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 3eea n ILE 121 Cb 0.48 1.14 0.00 0.00 -1.74 0.00 0.00 39.64 39.52 3eea n ILE 121 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3eea n GLY 122 N 0.85 -1.40 3.28 3.28 0.00 -1.21 -0.84 105.19 109.15 3eea n GLY 122 Ca 0.05 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 3eea n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3eea s ALA 123 N -1.49 -0.87 -0.15 4.61 0.00 -0.36 -0.80 121.76 122.72 3eea s ALA 123 Ca 0.00 0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.28 3eea s ALA 123 Cb 0.00 0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.32 3eea s ALA 123 CO 0.00 -0.35 -0.20 0.08 0.00 0.00 0.00 175.76 175.30 3eea s VAL 124 N -1.87 1.91 -0.14 0.00 1.01 0.26 -0.96 120.40 120.62 3eea s VAL 124 Ca -0.09 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 60.97 3eea s VAL 124 Cb -0.03 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 3eea s VAL 124 CO 0.01 0.52 0.02 -0.36 0.00 0.00 0.00 175.10 175.29 3eea s PHE 125 N 1.04 3.17 -0.04 5.22 0.08 0.04 -0.82 117.98 126.67 3eea s PHE 125 Ca -0.03 0.03 0.03 0.00 0.12 0.00 0.00 56.93 57.09 3eea s PHE 125 Cb -0.14 -1.94 0.00 0.00 -0.57 0.00 0.00 43.02 40.37 3eea s PHE 125 CO -0.06 0.23 -0.15 -1.64 -0.10 0.00 0.00 175.22 173.51 3eea s MET 126 N -0.12 1.61 0.06 0.44 -1.94 0.00 -0.78 119.30 118.57 3eea s MET 126 Ca 0.05 -0.51 0.08 0.00 -1.71 0.00 0.00 55.69 53.60 3eea s MET 126 Cb -0.12 -1.40 -0.03 0.00 2.01 0.00 0.00 34.83 35.29 3eea s MET 126 CO 0.02 0.17 -0.22 0.00 -0.01 0.00 0.00 175.02 174.98 3eea s ALA 127 N 0.20 1.86 0.24 3.03 0.00 -0.42 -0.57 121.76 126.11 3eea s ALA 127 Ca -0.06 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 50.79 3eea s ALA 127 Cb -0.12 -0.34 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 3eea s ALA 127 CO 0.02 0.41 0.01 1.03 0.00 0.00 0.00 175.76 177.24 3eea s ARG 128 N -1.37 1.36 0.49 0.00 0.52 -0.43 -0.08 118.95 119.44 3eea s ARG 128 Ca 0.08 -1.70 -0.20 0.00 -0.52 0.00 0.00 55.73 53.39 3eea s ARG 128 Cb -0.09 -0.58 -0.08 0.00 0.52 0.00 0.00 34.95 34.72 3eea s ARG 128 CO 0.02 -0.13 1.05 0.95 0.02 0.00 0.00 175.30 177.21 3eea s THR 129 N -3.46 3.72 -0.11 0.02 -4.23 -1.26 -0.19 115.64 110.13 3eea s THR 129 Ca 0.30 1.08 0.27 0.00 -1.18 0.00 0.00 61.69 62.16 3eea s THR 129 Cb 0.06 -3.44 0.28 0.00 1.34 0.00 0.00 72.50 70.74 3eea s THR 129 CO 0.10 -0.22 1.82 0.03 -0.54 0.00 0.00 174.62 175.81 3eea h ARG 130 N 1.57 0.00 -0.00 3.99 3.08 -1.67 -1.81 114.38 119.54 3eea h ARG 130 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 3eea h ARG 130 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 3eea h ARG 130 CO 0.59 0.00 -0.01 -0.25 -1.07 0.00 0.00 179.97 179.23 3eea n ASP 131 N -2.46 0.01 -4.79 7.04 8.00 -1.26 -4.87 116.55 118.22 3eea n ASP 131 Ca -0.01 0.18 -0.23 0.00 0.71 0.00 0.00 54.79 55.45 3eea n ASP 131 Cb 0.12 -0.39 -0.06 0.00 -0.02 0.00 0.00 41.12 40.77 3eea n ASP 131 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3eea s ASN 132 N -2.80 4.73 0.28 -2.24 0.01 -0.68 -5.07 114.94 109.17 3eea s ASN 132 Ca 0.21 -0.87 -0.30 0.00 -0.71 0.00 0.00 52.86 51.19 3eea s ASN 132 Cb 0.20 -0.59 -0.10 0.00 0.41 0.00 0.00 41.25 41.16 3eea s ASN 132 CO 0.50 -0.52 1.46 -2.84 -1.51 0.00 0.00 177.10 174.19 3eea s PRO 133 N -3.97 4.23 1.12 -0.60 0.02 -1.26 -4.92 135.00 129.62 3eea s PRO 133 Ca 0.43 2.37 -0.12 0.00 0.02 0.00 0.00 61.00 63.69 3eea s PRO 133 Cb -0.00 -3.07 0.26 0.00 0.02 0.00 0.00 34.50 31.70 3eea s PRO 133 CO 0.25 -0.44 1.05 -1.25 -0.33 0.00 0.00 177.00 176.27 3eea s PRO 134 N -0.76 -0.60 0.31 5.54 0.04 -1.26 -4.93 135.00 133.33 3eea s PRO 134 Ca 0.58 0.91 -0.29 0.00 0.04 0.00 0.00 61.00 62.24 3eea s PRO 134 Cb -0.43 -1.59 -0.10 0.00 0.04 0.00 0.00 34.50 32.42 3eea s PRO 134 CO 0.47 -3.53 1.39 -0.06 0.04 0.00 0.00 177.00 175.31 3eea s PHE 135 N -2.52 2.95 0.46 0.56 0.08 -1.26 -5.00 117.98 113.26 3eea s PHE 135 Ca 0.68 1.23 0.05 0.00 0.12 0.00 0.00 56.93 59.00 3eea s PHE 135 Cb -0.24 -3.79 0.02 0.00 -0.57 0.00 0.00 43.02 38.43 3eea s PHE 135 CO 0.63 -2.36 0.65 -1.54 -0.10 0.00 0.00 175.22 172.49 3eea s SER 136 N -0.11 5.55 0.30 1.36 1.04 -1.26 -4.95 113.70 115.63 3eea s SER 136 Ca 0.53 -0.19 -0.01 0.00 0.48 0.00 0.00 55.95 56.77 3eea s SER 136 Cb -0.42 -0.86 0.46 0.00 0.10 0.00 0.00 66.02 65.30 3eea s SER 136 CO 0.51 -0.87 1.89 0.44 0.98 0.00 0.00 173.24 176.19 3eea h ASP 137 N 0.43 0.79 -0.63 7.02 5.19 -1.99 0.04 116.42 127.27 3eea h ASP 137 Ca -0.42 -0.10 -0.02 0.00 -0.62 0.00 0.00 57.03 55.88 3eea h ASP 137 Cb 1.28 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 40.56 3eea h ASP 137 CO 0.49 0.70 0.32 0.00 -3.12 0.00 0.00 179.24 177.63 3eea h ALA 138 N 1.42 0.81 -0.47 3.45 0.00 -2.00 -1.91 119.26 120.56 3eea h ALA 138 Ca 0.21 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3eea h ALA 138 Cb 0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3eea h ALA 138 CO -0.02 0.35 0.08 0.93 0.00 0.00 0.00 179.25 180.59 3eea h GLU 139 N 0.86 0.77 0.00 0.00 5.08 -1.80 -2.94 114.58 116.55 3eea h GLU 139 Ca 0.22 -0.20 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 3eea h GLU 139 Cb 0.09 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3eea h GLU 139 CO -0.03 0.78 -0.31 1.79 -1.00 0.00 0.00 179.01 180.24 3eea h THR 140 N 0.64 1.07 -0.78 1.13 1.35 -0.83 -1.58 112.91 113.90 3eea h THR 140 Ca 0.14 -1.13 -0.05 0.00 -0.55 0.00 0.00 66.41 64.82 3eea h THR 140 Cb 0.38 1.64 -0.03 0.00 -1.73 0.00 0.00 68.15 68.40 3eea h THR 140 CO 0.01 0.31 0.31 0.00 -0.25 0.00 0.00 175.52 175.89 3eea h ALA 141 N 1.69 1.06 -0.12 6.62 0.00 -1.21 0.31 119.26 127.61 3eea h ALA 141 Ca -0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3eea h ALA 141 Cb 0.61 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3eea h ALA 141 CO 0.04 0.66 0.01 0.82 0.00 0.00 0.00 179.25 180.78 3eea h ILE 142 N 1.14 1.24 -0.37 0.00 2.04 -1.28 -2.69 117.51 117.59 3eea h ILE 142 Ca 0.26 -0.76 0.04 0.00 1.00 0.00 0.00 64.86 65.40 3eea h ILE 142 Cb 0.22 1.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 3eea h ILE 142 CO -0.02 0.22 0.13 0.40 0.00 0.00 0.00 178.15 178.88 3eea h ILE 143 N -0.05 0.90 -0.50 -0.67 2.04 -1.17 -2.10 117.51 115.96 3eea h ILE 143 Ca 0.03 -0.10 0.05 0.00 1.00 0.00 0.00 64.86 65.85 3eea h ILE 143 Cb 0.33 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 3eea h ILE 143 CO 0.00 0.05 0.23 -0.09 0.00 0.00 0.00 178.15 178.35 3eea h ARG 144 N 0.29 0.44 -0.12 2.37 2.43 -0.90 0.41 114.38 119.30 3eea h ARG 144 Ca 0.17 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.33 3eea h ARG 144 Cb 0.14 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 3eea h ARG 144 CO -0.17 0.29 -0.01 -0.44 -1.51 0.00 0.00 179.97 178.14 3eea h ASP 145 N 0.45 -0.06 -0.26 -3.80 3.32 -1.20 0.17 116.42 115.04 3eea h ASP 145 Ca 0.23 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.25 3eea h ASP 145 Cb 0.17 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3eea h ASP 145 CO -0.18 -0.01 -0.04 -0.07 -1.72 0.00 0.00 179.24 177.22 3eea h LEU 146 N 0.03 0.48 -0.81 1.55 3.38 -1.00 -2.77 115.31 116.16 3eea h LEU 146 Ca 0.05 -0.35 -0.08 0.00 0.09 0.00 0.00 57.88 57.60 3eea h LEU 146 Cb 0.07 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3eea h LEU 146 CO -0.10 0.71 0.05 0.58 0.09 0.00 0.00 178.44 179.77 3eea h VAL 147 N 0.23 1.25 -0.59 1.22 2.07 -0.83 -2.29 116.25 117.32 3eea h VAL 147 Ca 0.07 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 3eea h VAL 147 Cb 0.49 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 3eea h VAL 147 CO 0.02 0.37 0.34 -1.28 0.02 0.00 0.00 177.57 177.04 3eea h SER 148 N 0.88 0.73 0.10 0.57 0.87 -0.95 0.13 113.55 115.88 3eea h SER 148 Ca 0.17 -0.08 0.02 0.00 -1.23 0.00 0.00 61.79 60.66 3eea h SER 148 Cb 0.45 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.19 3eea h SER 148 CO 0.02 0.60 -0.23 -0.74 -0.53 0.00 0.00 176.83 175.96 3eea h HIS 149 N 0.80 -0.60 -0.53 2.24 6.17 -1.40 -2.41 115.15 119.42 3eea h HIS 149 Ca 0.21 0.01 0.02 0.00 0.71 0.00 0.00 60.37 61.32 3eea h HIS 149 Cb 0.03 0.25 -0.03 0.00 2.52 0.00 0.00 27.41 30.17 3eea h HIS 149 CO -0.01 -0.32 0.32 0.00 0.71 0.00 0.00 177.93 178.63 3eea h ALA 150 N 0.37 0.68 -0.67 5.26 0.00 -1.16 -2.59 119.26 121.14 3eea h ALA 150 Ca 0.03 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.02 3eea h ALA 150 Cb 0.44 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 3eea h ALA 150 CO -0.13 0.04 0.31 0.00 0.00 0.00 0.00 179.25 179.47 3eea h ALA 151 N 1.23 0.91 -0.34 0.00 0.00 -0.79 -0.50 119.26 119.77 3eea h ALA 151 Ca 0.21 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.07 3eea h ALA 151 Cb 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3eea h ALA 151 CO -0.09 -0.11 -0.25 1.25 0.00 0.00 0.00 179.25 180.06 3eea h LEU 152 N 0.53 0.82 -0.33 0.00 5.85 -1.21 -0.37 115.31 120.59 3eea h LEU 152 Ca 0.34 -0.44 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 3eea h LEU 152 Cb 0.38 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3eea h LEU 152 CO -0.28 1.08 -0.00 0.58 -0.34 0.00 0.00 178.44 179.47 3eea h VAL 153 N 0.56 1.26 -0.62 1.05 2.07 -1.18 -1.54 116.25 117.84 3eea h VAL 153 Ca 0.07 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 3eea h VAL 153 Cb 0.82 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 3eea h VAL 153 CO 0.07 0.32 0.32 0.58 0.02 0.00 0.00 177.57 178.87 3eea h VAL 154 N 0.39 1.21 -0.69 2.57 2.07 -1.03 -0.98 116.25 119.79 3eea h VAL 154 Ca 0.09 -0.55 -0.05 0.00 0.82 0.00 0.00 66.70 67.01 3eea h VAL 154 Cb 0.45 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 3eea h VAL 154 CO 0.02 0.23 0.24 0.77 0.02 0.00 0.00 177.57 178.85 3eea h SER 155 N 0.84 0.96 -0.40 0.57 4.64 -0.85 0.55 113.55 119.87 3eea h SER 155 Ca 0.21 -0.16 -0.03 0.00 -0.47 0.00 0.00 61.79 61.35 3eea h SER 155 Cb 0.08 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.90 3eea h SER 155 CO -0.03 0.88 0.13 0.45 -0.87 0.00 0.00 176.83 177.39 3eea h HIS 156 N 1.01 0.63 -0.43 4.77 3.86 -0.85 -1.33 115.15 122.80 3eea h HIS 156 Ca 0.23 -0.06 -0.03 0.00 -1.16 0.00 0.00 60.37 59.35 3eea h HIS 156 Cb 0.25 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 3eea h HIS 156 CO 0.02 0.58 0.15 0.52 0.86 0.00 0.00 177.93 180.06 3eea h MET 157 N 0.49 0.66 -0.72 2.45 2.86 -0.82 -0.18 114.93 119.68 3eea h MET 157 Ca 0.13 -0.13 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 3eea h MET 157 Cb 0.25 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 3eea h MET 157 CO -0.01 0.63 0.22 1.96 1.06 0.00 0.00 176.91 180.78 3eea h GLN 158 N 0.56 1.11 0.06 1.72 4.20 -0.83 -1.27 115.11 120.66 3eea h GLN 158 Ca 0.14 -0.23 -0.24 0.00 0.06 0.00 0.00 58.65 58.38 3eea h GLN 158 Cb 0.24 -0.16 0.02 0.00 0.30 0.00 0.00 27.48 27.87 3eea h GLN 158 CO -0.01 0.95 -0.98 1.25 -0.67 0.00 0.00 178.83 179.37 3eea h LEU 159 N 1.07 0.75 0.00 1.46 5.85 -1.12 -3.37 115.31 119.94 3eea h LEU 159 Ca 0.23 -0.80 0.00 0.00 0.84 0.00 0.00 57.88 58.15 3eea h LEU 159 Cb 0.30 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.10 3eea h LEU 159 CO -0.01 1.47 -0.96 0.49 -0.34 0.00 0.00 178.44 179.09 3eea n PHE 160 N -3.96 0.00 -0.04 1.25 3.72 -0.09 -4.80 117.46 113.54 3eea n PHE 160 Ca -0.12 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.22 3eea n PHE 160 Cb 0.86 -0.11 -0.04 0.00 -0.94 0.00 0.00 39.48 39.25 3eea n PHE 160 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3eea n ASP 161 N -1.54 2.89 0.00 4.37 8.00 -0.62 -5.04 116.55 124.60 3eea n ASP 161 Ca -0.00 -0.02 0.10 0.00 0.71 0.00 0.00 54.79 55.59 3eea n ASP 161 Cb 0.19 -0.15 0.62 0.00 -0.02 0.00 0.00 41.12 41.76 3eea n ASP 161 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19