#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d3o s LYS 11 N 0.00 4.25 -0.05 -3.83 1.02 -1.26 -4.59 119.74 115.28 2d3o s LYS 11 Ca 0.00 1.86 0.05 0.00 0.02 0.00 0.00 55.97 57.89 2d3o s LYS 11 Cb 0.00 -3.73 -0.00 0.00 -0.52 0.00 0.00 37.83 33.58 2d3o s LYS 11 CO 0.00 -0.66 -0.19 0.14 -0.92 0.00 0.00 175.35 173.71 2d3o s VAL 12 N 3.12 1.62 -0.24 3.17 -7.23 -0.28 -4.98 120.40 115.59 2d3o s VAL 12 Ca 0.61 -0.82 0.01 0.00 -1.81 0.00 0.00 61.98 59.98 2d3o s VAL 12 Cb -0.27 -1.39 0.04 0.00 0.56 0.00 0.00 36.38 35.32 2d3o s VAL 12 CO 0.22 0.46 -0.12 -0.70 -0.31 0.00 0.00 175.10 174.65 2d3o s GLU 13 N 0.02 2.58 -0.00 4.82 2.12 -1.26 -1.13 118.70 125.83 2d3o s GLU 13 Ca -0.05 -1.12 -0.10 0.00 0.36 0.00 0.00 54.97 54.06 2d3o s GLU 13 Cb -0.13 -2.82 -0.05 0.00 0.26 0.00 0.00 34.13 31.39 2d3o s GLU 13 CO 0.03 -0.43 0.31 -0.06 -0.54 0.00 0.00 175.26 174.57 2d3o s PHE 14 N 1.20 3.63 0.15 5.30 0.40 -1.10 -4.96 117.98 122.61 2d3o s PHE 14 Ca -0.03 0.73 -0.01 0.00 -0.60 0.00 0.00 56.93 57.03 2d3o s PHE 14 Cb -0.17 -2.10 -0.04 0.00 0.51 0.00 0.00 43.02 41.21 2d3o s PHE 14 CO -0.07 0.63 0.07 -1.59 0.70 0.00 0.00 175.22 174.95 2d3o s LYS 15 N -1.46 1.02 -0.05 0.44 0.00 -1.26 -3.23 119.74 115.20 2d3o s LYS 15 Ca 0.25 -1.50 -0.08 0.00 0.00 0.00 0.00 55.97 54.64 2d3o s LYS 15 Cb -0.14 0.18 0.02 0.00 0.00 0.00 0.00 37.83 37.88 2d3o s LYS 15 CO 0.13 -0.28 0.20 0.08 0.00 0.00 0.00 175.35 175.49 2d3o s VAL 16 N -4.02 0.03 -0.32 1.79 1.01 -1.26 -5.12 120.40 112.51 2d3o s VAL 16 Ca 0.28 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 2d3o s VAL 16 Cb 0.07 -0.36 0.07 0.00 0.00 0.00 0.00 36.38 36.16 2d3o s VAL 16 CO 0.05 -0.12 0.03 -0.94 0.00 0.00 0.00 175.10 174.11 2d3o s SER 17 N -0.39 4.88 -0.21 3.32 1.04 -1.26 -4.49 113.70 116.58 2d3o s SER 17 Ca -0.05 -1.52 -0.07 0.00 0.48 0.00 0.00 55.95 54.79 2d3o s SER 17 Cb -0.03 -1.70 -0.03 0.00 0.10 0.00 0.00 66.02 64.35 2d3o s SER 17 CO 0.01 -0.31 0.06 -0.69 0.98 0.00 0.00 173.24 173.28 2d3o s VAL 18 N 1.17 4.46 0.51 5.02 1.01 -1.26 -5.09 120.40 126.21 2d3o s VAL 18 Ca -0.02 -0.14 -0.21 0.00 0.00 0.00 0.00 61.98 61.62 2d3o s VAL 18 Cb -0.20 -3.04 -0.07 0.00 0.00 0.00 0.00 36.38 33.07 2d3o s VAL 18 CO -0.03 0.40 1.13 -2.16 0.00 0.00 0.00 175.10 174.44 2d3o s PRO 19 N 1.02 3.53 0.00 2.72 0.04 -1.26 -4.30 135.00 136.75 2d3o s PRO 19 Ca 0.04 1.64 0.10 0.00 0.04 0.00 0.00 61.00 62.82 2d3o s PRO 19 Cb -0.14 -2.15 0.62 0.00 0.04 0.00 0.00 34.50 32.87 2d3o s PRO 19 CO 0.03 -0.71 1.07 0.00 0.04 0.00 0.00 177.00 177.43 2d3o n ALA 20 N -1.00 1.87 -0.13 8.56 0.00 -1.26 -2.75 120.51 125.81 2d3o n ALA 20 Ca 0.10 -0.06 -0.12 0.00 0.00 0.00 0.00 53.44 53.36 2d3o n ALA 20 Cb 0.50 -1.17 -0.02 0.00 0.00 0.00 0.00 19.45 18.76 2d3o n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d3o h ALA 21 N 2.64 0.52 -2.11 0.00 0.00 -1.97 -3.32 119.26 115.01 2d3o h ALA 21 Ca 0.00 -0.33 -0.63 0.00 0.00 0.00 0.00 54.91 53.95 2d3o h ALA 21 Cb 0.00 -0.13 -0.39 0.00 0.00 0.00 0.00 17.79 17.27 2d3o h ALA 21 CO 0.00 0.41 -0.34 0.39 0.00 0.00 0.00 179.25 179.71 2d3o n GLU 22 N -4.33 3.54 0.00 0.00 -0.58 -1.11 -4.63 120.64 113.53 2d3o n GLU 22 Ca -0.02 -4.81 0.00 0.00 -0.42 0.00 0.00 57.16 51.91 2d3o n GLU 22 Cb 0.38 -2.28 0.00 0.00 -0.57 0.00 0.00 31.44 28.97 2d3o n GLU 22 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2d3o n VAL 23 N -0.06 0.00 0.27 2.62 0.31 -1.25 -4.69 118.33 115.54 2d3o n VAL 23 Ca 0.33 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.55 2d3o n VAL 23 Cb 0.37 -0.20 -0.05 0.00 -0.91 0.00 0.00 33.84 33.05 2d3o n VAL 23 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 2d3o h ASN 24 N 0.00 -0.62 0.20 4.52 -1.24 -1.82 -3.09 115.58 113.53 2d3o h ASN 24 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.03 2d3o h ASN 24 Cb 0.28 0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.49 2d3o h ASN 24 CO 0.00 -0.28 0.00 0.03 -1.29 0.00 0.00 177.43 175.89 2d3o h ARG 25 N -1.06 0.00 -0.69 6.67 -0.00 -1.91 -2.15 114.38 115.24 2d3o h ARG 25 Ca -0.07 0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.38 2d3o h ARG 25 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.50 2d3o h ARG 25 CO 0.12 0.00 0.31 0.00 0.00 0.00 0.00 179.97 180.40 2d3o h ALA 26 N 2.00 1.25 0.00 0.04 0.00 -1.81 -2.82 119.26 117.92 2d3o h ALA 26 Ca 0.00 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.58 2d3o h ALA 26 Cb 0.10 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2d3o h ALA 26 CO 0.00 0.57 -1.34 1.88 0.00 0.00 0.00 179.25 180.36 2d3o h TYR 27 N 0.98 0.00 0.00 0.00 0.05 -1.40 -3.30 116.97 113.31 2d3o h TYR 27 Ca 0.24 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.01 2d3o h TYR 27 Cb 0.14 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.87 2d3o h TYR 27 CO 0.01 0.62 -0.05 -0.44 -1.05 0.00 0.00 178.16 177.25 2d3o h ASP 28 N 0.00 0.00 0.41 3.88 3.32 -1.27 0.19 116.42 122.95 2d3o h ASP 28 Ca -0.15 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.61 2d3o h ASP 28 Cb 1.61 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 41.10 2d3o h ASP 28 CO 0.05 0.05 -1.81 0.00 -1.72 0.00 0.00 179.24 175.81 2d3o n GLN 29 N -3.29 0.64 -0.05 3.56 1.13 -1.08 -3.72 117.38 114.58 2d3o n GLN 29 Ca -0.01 0.22 -0.18 0.00 -1.94 0.00 0.00 57.00 55.08 2d3o n GLN 29 Cb 0.22 -1.74 -0.13 0.00 0.11 0.00 0.00 30.24 28.71 2d3o n GLN 29 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2d3o h VAL 30 N 0.00 1.36 0.14 5.09 2.07 -1.54 -2.55 116.25 120.82 2d3o h VAL 30 Ca -0.32 -2.34 0.01 0.00 0.82 0.00 0.00 66.70 64.87 2d3o h VAL 30 Cb 1.99 2.91 -0.02 0.00 -1.52 0.00 0.00 31.29 34.65 2d3o h VAL 30 CO 0.06 0.56 -0.20 -0.25 0.02 0.00 0.00 177.57 177.77 2d3o h TRP 31 N -0.77 -0.53 0.00 1.57 7.01 -0.84 0.17 115.95 122.55 2d3o h TRP 31 Ca -0.18 0.01 -0.07 0.00 2.11 0.00 0.00 58.89 60.76 2d3o h TRP 31 Cb 1.32 0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 28.59 2d3o h TRP 31 CO 0.19 -0.29 -0.33 0.00 -2.79 0.00 0.00 178.44 175.21 2d3o h ALA 32 N 0.38 1.03 -0.13 2.65 0.00 -1.74 -2.40 119.26 119.05 2d3o h ALA 32 Ca 0.02 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.47 2d3o h ALA 32 Cb 0.40 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.15 2d3o h ALA 32 CO -0.09 0.41 -0.50 0.78 0.00 0.00 0.00 179.25 179.85 2d3o h GLY 33 N 1.95 0.63 1.88 0.00 0.00 -0.97 -3.22 103.07 103.34 2d3o h GLY 33 Ca -0.00 -0.85 -0.15 0.00 0.00 0.00 0.00 47.33 46.33 2d3o h GLY 33 CO 0.04 0.76 -0.68 1.41 0.00 0.00 0.00 176.54 178.07 2d3o h LEU 34 N 0.20 0.15 -2.34 3.11 3.38 -0.67 -3.01 115.31 116.12 2d3o h LEU 34 Ca -0.03 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2d3o h LEU 34 Cb 1.14 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 2d3o h LEU 34 CO 0.11 0.78 -0.02 0.00 0.09 0.00 0.00 178.44 179.40 2d3o h ALA 35 N 1.22 1.52 -0.20 1.53 0.00 -1.47 0.20 119.26 122.06 2d3o h ALA 35 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2d3o h ALA 35 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2d3o h ALA 35 CO 0.10 0.03 0.00 0.54 0.00 0.00 0.00 179.25 179.92 2d3o n ARG 36 N -3.87 2.20 0.00 0.00 1.74 -1.14 -4.16 116.66 111.43 2d3o n ARG 36 Ca -0.03 -1.04 0.00 0.00 -0.77 0.00 0.00 57.85 56.02 2d3o n ARG 36 Cb 0.11 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 29.88 2d3o n ARG 36 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2d3o n ASP 37 N 0.21 0.00 -4.71 0.55 8.00 -0.10 -4.91 116.55 115.59 2d3o n ASP 37 Ca 0.09 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.17 2d3o n ASP 37 Cb 0.51 0.07 -0.01 0.00 -0.02 0.00 0.00 41.12 41.67 2d3o n ASP 37 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2d3o n VAL 38 N -2.29 1.52 -3.12 2.53 0.31 0.50 -4.94 118.33 112.83 2d3o n VAL 38 Ca 0.00 -0.38 -0.43 0.00 -0.01 0.00 0.00 64.34 63.52 2d3o n VAL 38 Cb 0.00 -1.70 -0.07 0.00 -0.91 0.00 0.00 33.84 31.16 2d3o n VAL 38 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2d3o s ARG 39 N -1.24 3.25 -0.17 5.55 0.52 -1.26 -4.84 118.95 120.76 2d3o s ARG 39 Ca 0.60 -0.45 0.00 0.00 -0.52 0.00 0.00 55.73 55.37 2d3o s ARG 39 Cb -0.56 -3.97 0.01 0.00 0.52 0.00 0.00 34.95 30.95 2d3o s ARG 39 CO 0.56 -1.03 -0.17 0.08 0.02 0.00 0.00 175.30 174.76 2d3o s VAL 40 N 2.79 2.42 0.64 3.52 1.01 -1.26 -4.99 120.40 124.53 2d3o s VAL 40 Ca 0.21 -0.83 0.27 0.00 0.00 0.00 0.00 61.98 61.63 2d3o s VAL 40 Cb -0.15 -2.03 0.30 0.00 0.00 0.00 0.00 36.38 34.51 2d3o s VAL 40 CO 0.18 0.52 1.83 -0.65 0.00 0.00 0.00 175.10 176.97 2d3o h PRO 41 N 7.70 0.00 0.89 2.72 0.11 -2.02 -2.62 132.00 138.78 2d3o h PRO 41 Ca -0.40 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.67 2d3o h PRO 41 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2d3o h PRO 41 CO 0.60 0.00 -0.46 0.78 -0.21 0.00 0.00 178.00 178.71 2d3o h GLY 42 N 0.00 -1.32 -2.76 -0.55 0.00 -2.02 -3.46 103.07 92.97 2d3o h GLY 42 Ca 0.07 0.50 -0.27 0.00 0.00 0.00 0.00 47.33 47.63 2d3o h GLY 42 CO -0.00 -0.47 -0.67 -0.11 0.00 0.00 0.00 176.54 175.29 2d3o s PHE 43 N -5.99 1.14 0.56 5.60 -0.12 -0.99 -5.15 117.98 113.03 2d3o s PHE 43 Ca -0.19 -1.02 -0.16 0.00 -0.05 0.00 0.00 56.93 55.50 2d3o s PHE 43 Cb 0.03 -0.65 -0.05 0.00 -0.63 0.00 0.00 43.02 41.71 2d3o s PHE 43 CO 0.60 -0.22 1.03 -0.98 -0.05 0.00 0.00 175.22 175.60 2d3o s ARG 44 N -3.91 3.55 -0.94 1.99 1.70 -1.26 -4.37 118.95 115.71 2d3o s ARG 44 Ca 0.22 1.15 -0.25 0.00 -0.47 0.00 0.00 55.73 56.39 2d3o s ARG 44 Cb 0.06 -2.07 -0.07 0.00 -0.57 0.00 0.00 34.95 32.30 2d3o s ARG 44 CO 0.03 -0.62 2.02 -1.25 -1.08 0.00 0.00 175.30 174.40 2d3o s PRO 45 N -3.98 2.36 0.00 3.89 0.04 -1.26 -3.11 135.00 132.94 2d3o s PRO 45 Ca 0.63 -0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.34 2d3o s PRO 45 Cb -0.14 -5.05 0.00 0.00 0.04 0.00 0.00 34.50 29.35 2d3o s PRO 45 CO 0.33 -3.71 0.00 0.41 0.04 0.00 0.00 177.00 174.07 2d3o n GLY 46 N 6.65 0.23 2.91 0.56 0.00 -1.26 -5.00 105.19 109.29 2d3o n GLY 46 Ca 0.42 -0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.20 2d3o n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d3o s LYS 47 N 0.00 1.20 -0.05 1.61 1.02 -1.18 -5.10 119.74 117.24 2d3o s LYS 47 Ca 0.00 -0.19 -0.01 0.00 0.02 0.00 0.00 55.97 55.79 2d3o s LYS 47 Cb 0.00 -1.19 0.03 0.00 -0.52 0.00 0.00 37.83 36.14 2d3o s LYS 47 CO 0.00 -0.13 0.00 0.00 -0.92 0.00 0.00 175.35 174.30 2d3o s ALA 48 N 1.19 0.53 0.00 5.17 0.00 -1.26 -4.61 121.76 122.78 2d3o s ALA 48 Ca -0.06 0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.91 2d3o s ALA 48 Cb -0.14 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.43 2d3o s ALA 48 CO -0.02 -0.28 0.00 -2.30 0.00 0.00 0.00 175.76 173.17 2d3o n PRO 49 N 4.69 0.00 0.03 0.00 -0.02 -1.26 -5.03 135.00 133.41 2d3o n PRO 49 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 2d3o n PRO 49 Cb 0.50 -0.50 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2d3o n PRO 49 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 2d3o n ARG 50 N 0.00 0.00 -1.71 -0.52 1.85 -1.26 -5.00 116.66 110.02 2d3o n ARG 50 Ca 0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.53 2d3o n ARG 50 Cb 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.38 2d3o n ARG 50 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 2d3o n LYS 51 N -2.41 2.97 0.00 2.89 4.81 -1.26 -4.28 118.16 120.88 2d3o n LYS 51 Ca 0.00 -2.86 0.00 0.00 -0.87 0.00 0.00 58.31 54.58 2d3o n LYS 51 Cb 0.00 -2.26 0.00 0.00 0.02 0.00 0.00 35.03 32.79 2d3o n LYS 51 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2d3o n VAL 52 N 0.69 0.00 -0.02 3.15 0.31 -1.26 -4.81 118.33 116.40 2d3o n VAL 52 Ca 0.52 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.81 2d3o n VAL 52 Cb 0.43 -0.28 0.19 0.00 -0.91 0.00 0.00 33.84 33.28 2d3o n VAL 52 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2d3o h ILE 53 N 0.00 1.25 0.00 2.52 2.04 -2.00 -1.23 117.51 120.09 2d3o h ILE 53 Ca 0.00 -1.18 0.00 0.00 1.00 0.00 0.00 64.86 64.68 2d3o h ILE 53 Cb 0.00 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 2d3o h ILE 53 CO 0.00 0.39 0.00 -0.62 0.00 0.00 0.00 178.15 177.92 2d3o n GLU 54 N -4.15 0.00 -0.05 2.37 1.02 -1.26 -2.05 120.64 116.52 2d3o n GLU 54 Ca 0.00 0.21 -0.01 0.00 -0.02 0.00 0.00 57.16 57.35 2d3o n GLU 54 Cb 0.38 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.16 2d3o n GLU 54 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2d3o n ASN 55 N -1.50 0.97 -0.04 1.62 5.03 -0.74 -3.16 115.26 117.45 2d3o n ASN 55 Ca 0.04 0.00 -0.03 0.00 0.87 0.00 0.00 54.58 55.46 2d3o n ASN 55 Cb 0.19 1.29 -0.02 0.00 -1.02 0.00 0.00 39.78 40.22 2d3o n ASN 55 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.26 175.34 2d3o h ARG 56 N 0.00 -0.04 0.00 3.52 9.65 -0.96 -3.42 114.38 123.13 2d3o h ARG 56 Ca -0.26 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.63 2d3o h ARG 56 Cb 1.50 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 30.09 2d3o h ARG 56 CO 0.01 0.12 -0.17 1.33 2.80 0.00 0.00 179.97 184.07 2d3o n VAL 57 N -4.78 0.85 -0.39 0.20 0.24 -0.87 -4.83 118.33 108.75 2d3o n VAL 57 Ca -0.02 -0.99 -0.04 0.00 -2.04 0.00 0.00 64.34 61.25 2d3o n VAL 57 Cb 0.09 0.30 0.01 0.00 -1.47 0.00 0.00 33.84 32.77 2d3o n VAL 57 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2d3o n GLY 58 N -0.61 2.82 0.92 7.63 0.00 -0.88 -2.61 105.19 112.46 2d3o n GLY 58 Ca 0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 46.02 45.81 2d3o n GLY 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2d3o n LYS 59 N 1.06 0.04 0.00 1.61 5.02 -1.26 -4.80 118.16 119.83 2d3o n LYS 59 Ca 0.08 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 2d3o n LYS 59 Cb 0.54 -0.43 0.00 0.00 -0.02 0.00 0.00 35.03 35.12 2d3o n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2d3o n GLY 60 N 3.27 0.63 1.27 0.72 0.00 -1.26 -4.69 105.19 105.14 2d3o n GLY 60 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.00 2d3o n GLY 60 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2d3o n TYR 61 N -0.25 1.41 0.00 1.61 4.02 -1.07 -4.37 117.16 118.51 2d3o n TYR 61 Ca 0.00 -1.25 0.00 0.00 -0.01 0.00 0.00 57.90 56.64 2d3o n TYR 61 Cb 0.26 -0.48 0.00 0.00 -0.02 0.00 0.00 39.34 39.09 2d3o n TYR 61 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 2d3o n VAL 62 N -0.69 0.00 0.28 -0.72 0.24 -1.26 -4.53 118.33 111.64 2d3o n VAL 62 Ca 0.31 0.00 0.17 0.00 -2.04 0.00 0.00 64.34 62.79 2d3o n VAL 62 Cb 1.08 -0.05 0.94 0.00 -1.47 0.00 0.00 33.84 34.34 2d3o n VAL 62 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2d3o h GLU 63 N 0.00 0.00 0.10 7.34 3.07 -1.89 -1.74 114.58 121.46 2d3o h GLU 63 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2d3o h GLU 63 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2d3o h GLU 63 CO 0.00 0.00 -0.05 0.77 -1.40 0.00 0.00 179.01 178.33 2d3o h SER 64 N 0.00 -0.11 -0.30 1.42 0.02 -1.88 -2.72 113.55 109.98 2d3o h SER 64 Ca 0.03 -0.38 0.04 0.00 -0.84 0.00 0.00 61.79 60.63 2d3o h SER 64 Cb 0.19 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 2d3o h SER 64 CO -0.00 0.52 0.09 1.56 -1.14 0.00 0.00 176.83 177.86 2d3o h GLN 65 N -0.95 0.20 -1.00 3.45 1.08 -1.69 -0.83 115.11 115.38 2d3o h GLN 65 Ca -0.01 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.18 2d3o h GLN 65 Cb 0.49 -0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 27.82 2d3o h GLN 65 CO 0.02 0.13 0.65 0.28 -0.95 0.00 0.00 178.83 178.97 2d3o h VAL 66 N 0.21 1.26 0.40 -0.54 2.07 -1.47 0.19 116.25 118.38 2d3o h VAL 66 Ca 0.14 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 2d3o h VAL 66 Cb 0.12 -0.20 0.00 0.00 -1.52 0.00 0.00 31.29 29.69 2d3o h VAL 66 CO -0.16 0.25 -0.19 -0.09 0.02 0.00 0.00 177.57 177.40 2d3o h ARG 67 N 1.35 -0.52 0.00 1.57 2.43 -1.08 -0.91 114.38 117.22 2d3o h ARG 67 Ca 0.36 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.56 2d3o h ARG 67 Cb -0.14 0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2d3o h ARG 67 CO -0.08 -0.25 -0.06 -0.44 -1.51 0.00 0.00 179.97 177.63 2d3o h ASP 68 N -0.73 0.00 -0.00 -3.80 3.32 -1.02 -1.67 116.42 112.52 2d3o h ASP 68 Ca -0.06 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 2d3o h ASP 68 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 2d3o h ASP 68 CO 0.09 0.06 -0.09 -0.09 -1.72 0.00 0.00 179.24 177.49 2d3o h ARG 69 N 0.00 0.07 -0.28 3.56 2.43 -0.69 -2.56 114.38 116.92 2d3o h ARG 69 Ca -0.00 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 2d3o h ARG 69 Cb 0.19 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 2d3o h ARG 69 CO 0.01 0.82 0.09 -0.07 -1.51 0.00 0.00 179.97 179.31 2d3o h LEU 70 N -0.65 0.40 -0.03 3.80 3.38 -0.89 -2.52 115.31 118.80 2d3o h LEU 70 Ca -0.01 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.77 2d3o h LEU 70 Cb 0.85 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 2d3o h LEU 70 CO 0.02 0.49 -0.01 -0.07 0.09 0.00 0.00 178.44 178.96 2d3o h LEU 71 N 0.29 -0.02 -1.43 1.67 3.38 -1.43 -2.37 115.31 115.39 2d3o h LEU 71 Ca 0.09 0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.18 2d3o h LEU 71 Cb 0.23 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 2d3o h LEU 71 CO -0.00 -0.01 0.51 -0.08 0.09 0.00 0.00 178.44 178.95 2d3o h GLU 72 N 0.00 0.59 -0.46 1.13 4.57 -1.41 -0.51 114.58 118.48 2d3o h GLU 72 Ca 0.01 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 58.08 2d3o h GLU 72 Cb 0.02 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.46 2d3o h GLU 72 CO -0.03 0.39 -0.03 1.15 -1.18 0.00 0.00 179.01 179.31 2d3o h THR 73 N 0.60 1.24 -0.33 0.32 2.02 -0.98 -0.60 112.91 115.19 2d3o h THR 73 Ca 0.37 -1.04 -0.06 0.00 0.77 0.00 0.00 66.41 66.45 2d3o h THR 73 Cb 0.60 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 2d3o h THR 73 CO -0.14 0.36 -0.05 0.45 0.37 0.00 0.00 175.52 176.52 2d3o h HIS 74 N 0.72 0.68 -0.38 3.16 3.86 -0.76 -1.44 115.15 120.99 2d3o h HIS 74 Ca 0.14 -0.14 -0.14 0.00 -1.16 0.00 0.00 60.37 59.07 2d3o h HIS 74 Cb 0.48 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 2d3o h HIS 74 CO 0.02 0.76 -0.34 1.88 0.86 0.00 0.00 177.93 181.12 2d3o h TYR 75 N 0.40 1.02 0.69 2.45 0.05 -1.30 -0.45 116.97 119.83 2d3o h TYR 75 Ca 0.09 -0.28 -0.03 0.00 0.05 0.00 0.00 58.73 58.55 2d3o h TYR 75 Cb 0.53 -0.22 0.01 0.00 1.01 0.00 0.00 36.73 38.05 2d3o h TYR 75 CO 0.05 1.08 -0.33 0.77 -1.05 0.00 0.00 178.16 178.67 2d3o h SER 76 N 0.72 -0.78 0.22 3.88 0.02 -1.06 -2.85 113.55 113.70 2d3o h SER 76 Ca 0.07 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 2d3o h SER 76 Cb 0.90 0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.64 2d3o h SER 76 CO 0.08 -0.44 -0.12 1.56 -1.14 0.00 0.00 176.83 176.77 2d3o h GLN 77 N -1.14 0.00 0.00 3.45 4.20 -1.33 -1.77 115.11 118.51 2d3o h GLN 77 Ca -0.09 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 2d3o h GLN 77 Cb 0.74 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.51 2d3o h GLN 77 CO 0.16 0.12 -0.17 0.78 -0.67 0.00 0.00 178.83 179.05 2d3o h GLY 78 N 0.56 0.00 0.53 3.46 0.00 -0.94 -1.54 103.07 105.14 2d3o h GLY 78 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2d3o h GLY 78 CO 0.02 0.00 -0.98 1.04 0.00 0.00 0.00 176.54 176.62 2d3o n LEU 79 N -3.76 0.64 0.06 3.11 4.77 -0.70 -3.25 117.00 117.88 2d3o n LEU 79 Ca -0.02 -0.10 0.04 0.00 -0.03 0.00 0.00 56.01 55.90 2d3o n LEU 79 Cb 0.27 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.22 2d3o n LEU 79 CO 0.32 0.09 -0.13 0.03 -1.33 0.00 0.00 177.39 176.37 2d3o h ARG 80 N 0.00 0.00 0.00 3.23 3.08 -1.06 -0.99 114.38 118.64 2d3o h ARG 80 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 2d3o h ARG 80 Cb 0.67 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 2d3o h ARG 80 CO 0.00 0.21 -1.68 0.39 -1.07 0.00 0.00 179.97 177.82 2d3o n GLU 81 N -2.85 0.64 -0.08 0.04 1.02 -0.65 -4.60 120.64 114.16 2d3o n GLU 81 Ca -0.06 -0.01 -0.16 0.00 -0.02 0.00 0.00 57.16 56.92 2d3o n GLU 81 Cb 0.74 -1.66 -0.06 0.00 -0.02 0.00 0.00 31.44 30.45 2d3o n GLU 81 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2d3o n LEU 82 N -2.55 1.54 -1.17 -4.62 4.77 -1.20 -5.06 117.00 108.71 2d3o n LEU 82 Ca -0.08 0.13 -0.02 0.00 -0.03 0.00 0.00 56.01 56.01 2d3o n LEU 82 Cb 0.69 -0.48 0.01 0.00 -2.33 0.00 0.00 43.42 41.31 2d3o n LEU 82 CO 0.43 0.43 0.02 0.61 -1.33 0.00 0.00 177.39 177.55 2d3o n GLY 83 N 2.18 0.45 3.23 -0.72 0.00 -0.38 -5.06 105.19 104.90 2d3o n GLY 83 Ca -0.30 -0.45 -0.01 0.00 0.00 0.00 0.00 46.02 45.25 2d3o n GLY 83 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2d3o s LEU 84 N -2.30 -1.09 0.10 0.99 1.98 -1.26 -5.09 118.68 112.01 2d3o s LEU 84 Ca 0.02 0.92 -0.32 0.00 -2.89 0.00 0.00 54.13 51.86 2d3o s LEU 84 Cb -0.01 1.89 -0.11 0.00 0.66 0.00 0.00 46.19 48.62 2d3o s LEU 84 CO 0.08 -0.26 1.84 0.59 -1.89 0.00 0.00 176.35 176.72 2d3o n ASN 85 N 5.42 3.94 -2.61 3.68 3.02 -1.26 -4.89 115.26 122.56 2d3o n ASN 85 Ca -0.05 0.98 0.00 0.00 -0.03 0.00 0.00 54.58 55.48 2d3o n ASN 85 Cb 0.50 -1.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.15 2d3o n ASN 85 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2d3o n LEU 86 N 5.81 0.00 0.00 3.41 4.77 -1.26 -5.09 117.00 124.63 2d3o n LEU 86 Ca 0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2d3o n LEU 86 Cb 0.36 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 2d3o n LEU 86 CO 0.67 -0.46 0.00 1.33 -1.33 0.00 0.00 177.39 177.60 2d3o n VAL 87 N -1.39 0.00 -3.59 4.08 0.24 -1.26 -5.07 118.33 111.34 2d3o n VAL 87 Ca 0.00 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.94 2d3o n VAL 87 Cb 0.00 -1.29 -0.07 0.00 -1.47 0.00 0.00 33.84 31.00 2d3o n VAL 87 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2d3o s ASP 88 N -1.00 6.37 0.22 -1.34 -1.08 -1.26 -5.09 116.67 113.49 2d3o s ASP 88 Ca 0.00 0.43 0.10 0.00 -0.52 0.00 0.00 52.55 52.56 2d3o s ASP 88 Cb 0.00 -2.16 -0.05 0.00 -1.46 0.00 0.00 42.92 39.26 2d3o s ASP 88 CO 0.00 0.12 -0.19 0.00 0.52 0.00 0.00 175.17 175.62 2d3o s ALA 89 N 0.43 2.34 -0.21 3.66 0.00 -1.26 -3.82 121.76 122.91 2d3o s ALA 89 Ca 0.14 -1.68 -0.00 0.00 0.00 0.00 0.00 51.96 50.42 2d3o s ALA 89 Cb -0.12 -0.21 0.05 0.00 0.00 0.00 0.00 23.12 22.84 2d3o s ALA 89 CO 0.02 0.25 -0.04 0.99 0.00 0.00 0.00 175.76 176.98 2d3o s THR 90 N -2.33 1.26 0.18 0.00 2.01 -1.11 -5.04 115.64 110.60 2d3o s THR 90 Ca 0.23 -0.93 -0.28 0.00 0.31 0.00 0.00 61.69 61.01 2d3o s THR 90 Cb -0.05 -1.53 -0.08 0.00 0.01 0.00 0.00 72.50 70.86 2d3o s THR 90 CO 0.10 -0.03 0.89 -0.69 -0.69 0.00 0.00 174.62 174.20 2d3o s VAL 91 N 1.53 4.29 -0.18 3.82 1.01 -1.26 -3.82 120.40 125.78 2d3o s VAL 91 Ca -0.03 1.96 0.01 0.00 0.00 0.00 0.00 61.98 63.92 2d3o s VAL 91 Cb -0.17 -4.27 0.02 0.00 0.00 0.00 0.00 36.38 31.96 2d3o s VAL 91 CO -0.07 0.45 -0.19 -1.81 0.00 0.00 0.00 175.10 173.48 2d3o s ASP 92 N -0.82 3.20 -0.06 3.32 1.01 -1.25 -5.07 116.67 116.99 2d3o s ASP 92 Ca 0.41 -0.67 -0.30 0.00 0.71 0.00 0.00 52.55 52.70 2d3o s ASP 92 Cb -0.24 -1.49 -0.04 0.00 1.01 0.00 0.00 42.92 42.16 2d3o s ASP 92 CO 0.29 -0.01 1.43 -2.16 0.21 0.00 0.00 175.17 174.94 2d3o s PRO 93 N 1.29 4.24 0.06 8.23 0.04 -1.26 -4.50 135.00 143.10 2d3o s PRO 93 Ca 0.05 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.02 2d3o s PRO 93 Cb -0.13 -3.74 -0.04 0.00 0.04 0.00 0.00 34.50 30.63 2d3o s PRO 93 CO -0.13 -0.68 0.18 -1.14 0.04 0.00 0.00 177.00 175.27 2d3o s GLN 94 N 3.15 3.33 0.34 4.56 2.00 -1.26 -5.06 119.66 126.72 2d3o s GLN 94 Ca 0.64 -0.47 -0.28 0.00 -2.00 0.00 0.00 55.36 53.24 2d3o s GLN 94 Cb -0.29 -2.99 -0.12 0.00 0.80 0.00 0.00 33.01 30.41 2d3o s GLN 94 CO 0.24 0.61 1.35 -0.40 -0.50 0.00 0.00 175.29 176.59 2d3o n ASP 95 N 0.40 3.03 -4.84 6.67 5.75 -1.26 -4.98 116.55 121.33 2d3o n ASP 95 Ca -0.06 1.21 -0.37 0.00 -0.01 0.00 0.00 54.79 55.55 2d3o n ASP 95 Cb 0.51 -1.52 -0.06 0.00 -1.03 0.00 0.00 41.12 39.03 2d3o n ASP 95 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2d3o s VAL 96 N -1.01 5.26 0.63 2.12 1.01 -1.26 -4.95 120.40 122.20 2d3o s VAL 96 Ca 0.56 0.54 -0.07 0.00 0.00 0.00 0.00 61.98 63.01 2d3o s VAL 96 Cb -0.55 -3.58 0.14 0.00 0.00 0.00 0.00 36.38 32.39 2d3o s VAL 96 CO 0.62 0.57 0.86 0.00 0.00 0.00 0.00 175.10 177.14 2d3o n GLN 97 N 2.15 -0.48 0.17 2.72 1.13 -1.26 -4.96 117.38 116.86 2d3o n GLN 97 Ca -0.16 -1.71 0.13 0.00 -1.94 0.00 0.00 57.00 53.33 2d3o n GLN 97 Cb 0.53 -0.76 0.54 0.00 0.11 0.00 0.00 30.24 30.66 2d3o n GLN 97 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2d3o h SER 98 N -0.89 0.00 0.00 1.08 0.87 -1.98 -3.43 113.55 109.19 2d3o h SER 98 Ca -0.28 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 2d3o h SER 98 Cb 0.87 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 2d3o h SER 98 CO 0.24 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 177.15 2d3o n GLY 99 N 0.06 -0.51 0.00 5.77 0.00 -1.26 -5.18 105.19 104.07 2d3o n GLY 99 Ca 0.02 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2d3o n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d3o n GLN 100 N 0.00 0.00 -1.68 1.61 10.64 -1.26 -4.99 117.38 121.70 2d3o n GLN 100 Ca 0.00 0.00 -0.46 0.00 -1.83 0.00 0.00 57.00 54.71 2d3o n GLN 100 Cb 0.00 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.34 2d3o n GLN 100 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2d3o n ALA 101 N -3.00 1.50 -3.92 2.61 0.00 -1.26 -4.85 120.51 111.58 2d3o n ALA 101 Ca 0.00 0.41 -0.34 0.00 0.00 0.00 0.00 53.44 53.51 2d3o n ALA 101 Cb 0.00 -2.41 -0.15 0.00 0.00 0.00 0.00 19.45 16.89 2d3o n ALA 101 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2d3o s PHE 102 N 1.51 2.94 0.33 0.00 5.99 -1.26 -4.88 117.98 122.61 2d3o s PHE 102 Ca 0.81 -1.61 0.09 0.00 0.00 0.00 0.00 56.93 56.22 2d3o s PHE 102 Cb -0.65 -1.98 -0.05 0.00 0.00 0.00 0.00 43.02 40.34 2d3o s PHE 102 CO 0.39 -0.76 -0.00 -1.83 -0.00 0.00 0.00 175.22 173.02 2d3o s GLU 103 N 1.30 2.08 0.23 10.12 -1.05 -1.26 -4.58 118.70 125.53 2d3o s GLU 103 Ca 0.02 -1.71 -0.13 0.00 -0.15 0.00 0.00 54.97 53.00 2d3o s GLU 103 Cb -0.15 -1.95 -0.00 0.00 -0.44 0.00 0.00 34.13 31.59 2d3o s GLU 103 CO -0.08 0.17 0.46 -0.59 0.95 0.00 0.00 175.26 176.17 2d3o s PHE 104 N -2.50 0.29 -0.07 4.83 -0.12 -1.26 -4.79 117.98 114.37 2d3o s PHE 104 Ca 0.34 -0.65 -0.02 0.00 -0.05 0.00 0.00 56.93 56.55 2d3o s PHE 104 Cb -0.01 0.18 0.04 0.00 -0.63 0.00 0.00 43.02 42.60 2d3o s PHE 104 CO 0.19 -0.94 0.06 0.95 -0.05 0.00 0.00 175.22 175.43 2d3o s THR 105 N -3.99 -0.07 -0.17 -4.49 -4.23 -1.26 -4.35 115.64 97.08 2d3o s THR 105 Ca 0.20 0.30 -0.01 0.00 -1.18 0.00 0.00 61.69 61.00 2d3o s THR 105 Cb -0.00 -0.25 0.04 0.00 1.34 0.00 0.00 72.50 73.63 2d3o s THR 105 CO 0.06 0.10 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.52 2d3o s VAL 106 N 2.15 0.94 0.00 2.29 1.01 -1.20 -3.84 120.40 121.76 2d3o s VAL 106 Ca 0.04 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.45 2d3o s VAL 106 Cb -0.13 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.06 2d3o s VAL 106 CO -0.04 0.06 0.00 2.29 0.00 0.00 0.00 175.10 177.41 2d3o n LYS 107 N 4.92 2.09 0.00 2.72 0.00 -1.25 -2.70 118.16 123.94 2d3o n LYS 107 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.20 2d3o n LYS 107 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.51 2d3o n LYS 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2d3o n GLY 108 N 5.00 -0.74 0.65 2.58 0.00 -0.29 -2.76 105.19 109.63 2d3o n GLY 108 Ca 0.00 -1.09 0.13 0.00 0.00 0.00 0.00 46.02 45.07 2d3o n GLY 108 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50