#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gdc s VAL 15 N 0.00 3.60 0.37 2.46 1.01 -1.26 -4.98 120.40 121.60 3gdc s VAL 15 Ca 0.00 1.10 -0.28 0.00 0.00 0.00 0.00 61.98 62.80 3gdc s VAL 15 Cb 0.00 -3.71 -0.11 0.00 0.00 0.00 0.00 36.38 32.56 3gdc s VAL 15 CO 0.00 0.06 1.49 -0.76 0.00 0.00 0.00 175.10 175.88 3gdc s LEU 16 N 1.52 4.32 0.24 3.92 1.43 -1.26 -4.73 118.68 124.12 3gdc s LEU 16 Ca 0.63 3.03 -0.05 0.00 -1.03 0.00 0.00 54.13 56.71 3gdc s LEU 16 Cb -0.33 -3.67 0.42 0.00 0.03 0.00 0.00 46.19 42.64 3gdc s LEU 16 CO 0.29 -0.86 1.73 0.00 0.23 0.00 0.00 176.35 177.73 3gdc h ALA 17 N 3.15 0.99 -0.99 4.21 0.00 -1.94 0.91 119.26 125.59 3gdc h ALA 17 Ca -0.50 0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.54 3gdc h ALA 17 Cb 1.24 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 3gdc h ALA 17 CO 0.65 -0.21 0.65 1.49 0.00 0.00 0.00 179.25 181.83 3gdc h GLU 18 N 0.42 1.25 0.11 0.00 4.57 -1.90 -0.43 114.58 118.60 3gdc h GLU 18 Ca 0.39 -0.08 -0.29 0.00 -1.18 0.00 0.00 59.36 58.20 3gdc h GLU 18 Cb 0.58 -0.28 0.03 0.00 -0.16 0.00 0.00 28.75 28.91 3gdc h GLU 18 CO -0.39 0.83 -1.22 -0.09 -1.18 0.00 0.00 179.01 176.95 3gdc h ARG 19 N 1.29 0.62 -0.36 1.92 2.43 -1.63 -3.34 114.38 115.31 3gdc h ARG 19 Ca 0.38 -0.81 -0.12 0.00 -0.81 0.00 0.00 59.98 58.62 3gdc h ARG 19 Cb -0.07 0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 3gdc h ARG 19 CO -0.11 1.36 -0.26 0.00 -1.51 0.00 0.00 179.97 179.46 3gdc h ALA 20 N 0.32 0.87 0.00 2.80 0.00 -0.53 -3.41 119.26 119.32 3gdc h ALA 20 Ca -0.18 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3gdc h ALA 20 Cb 1.89 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.54 3gdc h ALA 20 CO 0.23 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.52 3gdc n GLY 21 N -0.20 0.65 3.06 0.00 0.00 -0.20 -2.46 105.19 106.04 3gdc n GLY 21 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 3gdc n GLY 21 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gdc s ILE 22 N -2.56 1.05 -0.50 -0.61 1.01 -1.22 -4.89 121.20 113.48 3gdc s ILE 22 Ca 0.00 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.16 3gdc s ILE 22 Cb 0.00 -0.91 0.13 0.00 0.01 0.00 0.00 42.46 41.69 3gdc s ILE 22 CO 0.00 0.31 0.26 -0.62 0.00 0.00 0.00 174.94 174.89 3gdc s ASP 23 N 0.09 4.66 0.40 3.58 -1.08 -1.26 -4.37 116.67 118.69 3gdc s ASP 23 Ca -0.03 -2.76 0.08 0.00 -0.52 0.00 0.00 52.55 49.32 3gdc s ASP 23 Cb -0.09 -1.70 0.83 0.00 -1.46 0.00 0.00 42.92 40.50 3gdc s ASP 23 CO 0.01 -0.31 2.01 -0.65 0.52 0.00 0.00 175.17 176.75 3gdc h PRO 24 N 6.92 0.45 -0.43 4.34 0.11 -1.93 -1.71 132.00 139.75 3gdc h PRO 24 Ca -0.06 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 3gdc h PRO 24 Cb 0.94 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.94 3gdc h PRO 24 CO 0.66 0.37 0.24 1.15 -0.21 0.00 0.00 178.00 180.22 3gdc h THR 25 N 0.45 1.15 -0.14 -1.15 2.02 -1.94 -1.76 112.91 111.54 3gdc h THR 25 Ca 0.12 -0.37 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 3gdc h THR 25 Cb 0.08 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 3gdc h THR 25 CO -0.01 0.16 0.08 0.00 0.37 0.00 0.00 175.52 176.11 3gdc h ALA 26 N 1.10 0.18 -0.55 6.16 0.00 -1.86 -2.93 119.26 121.36 3gdc h ALA 26 Ca 0.15 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.10 3gdc h ALA 26 Cb 0.03 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3gdc h ALA 26 CO -0.03 -0.27 0.37 0.82 0.00 0.00 0.00 179.25 180.14 3gdc h ILE 27 N 0.13 0.88 -0.83 0.00 2.04 -1.15 -2.72 117.51 115.84 3gdc h ILE 27 Ca 0.05 -0.11 0.12 0.00 1.00 0.00 0.00 64.86 65.92 3gdc h ILE 27 Cb 0.08 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 36.64 3gdc h ILE 27 CO -0.01 0.06 0.54 0.25 0.00 0.00 0.00 178.15 178.99 3gdc h LEU 28 N 0.31 0.64 -2.72 1.44 5.85 -1.12 -2.82 115.31 116.89 3gdc h LEU 28 Ca 0.25 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.00 3gdc h LEU 28 Cb 0.58 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.51 3gdc h LEU 28 CO -0.06 0.36 -0.12 0.54 -0.34 0.00 0.00 178.44 178.82 3gdc n ARG 29 N -4.52 1.04 -3.14 1.25 1.74 -1.05 -0.39 116.66 111.58 3gdc n ARG 29 Ca 0.15 -2.10 -0.45 0.00 -0.77 0.00 0.00 57.85 54.68 3gdc n ARG 29 Cb 0.40 -1.21 -0.01 0.00 -1.02 0.00 0.00 32.46 30.62 3gdc n ARG 29 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3gdc s ASP 30 N -2.26 7.10 -0.28 0.55 2.15 -1.06 -5.00 116.67 117.86 3gdc s ASP 30 Ca 0.22 -3.11 -0.17 0.00 0.43 0.00 0.00 52.55 49.93 3gdc s ASP 30 Cb 0.19 -2.30 -0.03 0.00 -0.30 0.00 0.00 42.92 40.48 3gdc s ASP 30 CO 0.02 -0.58 0.46 -0.36 -0.17 0.00 0.00 175.17 174.54 3gdc s PHE 31 N 0.40 3.24 -0.67 -5.34 0.08 -1.26 -4.30 117.98 110.13 3gdc s PHE 31 Ca 0.34 0.46 -0.21 0.00 0.12 0.00 0.00 56.93 57.64 3gdc s PHE 31 Cb -0.07 -2.70 0.09 0.00 -0.57 0.00 0.00 43.02 39.78 3gdc s PHE 31 CO -0.05 -0.31 0.88 0.34 -0.10 0.00 0.00 175.22 175.98 3gdc s ASP 32 N 1.62 6.24 0.00 1.36 -1.08 0.63 -4.88 116.67 120.57 3gdc s ASP 32 Ca 0.18 -1.32 0.32 0.00 -0.52 0.00 0.00 52.55 51.20 3gdc s ASP 32 Cb -0.16 -2.37 1.83 0.00 -1.46 0.00 0.00 42.92 40.76 3gdc s ASP 32 CO 0.10 -1.26 2.18 0.54 0.52 0.00 0.00 175.17 177.26 3gdc n ARG 33 N 6.97 1.06 -0.85 4.34 1.74 -1.26 -1.24 116.66 127.42 3gdc n ARG 33 Ca -0.02 -0.09 0.11 0.00 -0.77 0.00 0.00 57.85 57.08 3gdc n ARG 33 Cb 0.45 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.36 3gdc n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gdc n GLY 34 N 1.02 -1.71 3.71 -0.13 0.00 -1.26 -4.76 105.19 102.06 3gdc n GLY 34 Ca 0.24 -1.31 -0.37 0.00 0.00 0.00 0.00 46.02 44.57 3gdc n GLY 34 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3gdc s ARG 35 N -1.82 4.26 0.05 1.61 1.70 -0.87 -4.84 118.95 119.03 3gdc s ARG 35 Ca 0.00 0.22 0.01 0.00 -0.47 0.00 0.00 55.73 55.50 3gdc s ARG 35 Cb 0.00 -3.46 -0.04 0.00 -0.57 0.00 0.00 34.95 30.88 3gdc s ARG 35 CO 0.00 0.14 0.10 0.95 -1.08 0.00 0.00 175.30 175.41 3gdc s THR 36 N 0.74 4.75 0.17 4.99 -4.23 -1.26 -2.00 115.64 118.81 3gdc s THR 36 Ca 0.20 -0.58 -0.13 0.00 -1.18 0.00 0.00 61.69 59.99 3gdc s THR 36 Cb -0.14 -3.25 0.01 0.00 1.34 0.00 0.00 72.50 70.46 3gdc s THR 36 CO 0.07 0.20 0.40 -0.94 -0.54 0.00 0.00 174.62 173.81 3gdc s SER 37 N -2.19 -0.12 -0.21 3.99 1.04 -0.66 -4.97 113.70 110.58 3gdc s SER 37 Ca 0.28 -0.64 -0.11 0.00 0.48 0.00 0.00 55.95 55.96 3gdc s SER 37 Cb -0.12 0.50 -0.05 0.00 0.10 0.00 0.00 66.02 66.45 3gdc s SER 37 CO 0.20 -0.96 0.17 -0.89 0.98 0.00 0.00 173.24 172.74 3gdc s THR 38 N -3.91 5.37 0.67 2.02 2.01 -1.26 -0.06 115.64 120.49 3gdc s THR 38 Ca 0.12 0.25 -0.11 0.00 0.31 0.00 0.00 61.69 62.26 3gdc s THR 38 Cb 0.01 -3.51 -0.01 0.00 0.01 0.00 0.00 72.50 69.00 3gdc s THR 38 CO -0.03 0.39 1.05 -0.76 -0.69 0.00 0.00 174.62 174.59 3gdc s LEU 39 N 0.65 3.11 0.00 4.42 1.43 -0.05 -4.91 118.68 123.34 3gdc s LEU 39 Ca 0.09 1.47 0.00 0.00 -1.03 0.00 0.00 54.13 54.67 3gdc s LEU 39 Cb -0.12 -4.39 0.00 0.00 0.03 0.00 0.00 46.19 41.70 3gdc s LEU 39 CO 0.01 -1.24 0.40 -0.81 0.23 0.00 0.00 176.35 174.95 3gdc n PRO 40 N -2.99 0.51 0.00 1.29 -0.04 -1.26 -1.55 135.00 130.97 3gdc n PRO 40 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 3gdc n PRO 40 Cb 0.54 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 3gdc n PRO 40 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3gdc n ASP 41 N 0.53 0.11 0.00 3.54 8.00 -1.26 -5.03 116.55 122.44 3gdc n ASP 41 Ca 0.00 -0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.09 3gdc n ASP 41 Cb 0.20 0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 3gdc n ASP 41 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gdc n GLY 42 N 0.28 2.59 3.73 0.44 0.00 -0.60 -5.07 105.19 106.56 3gdc n GLY 42 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3gdc n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gdc s ARG 43 N -0.17 2.18 0.00 1.61 0.52 -1.26 -4.66 118.95 117.18 3gdc s ARG 43 Ca 0.00 1.66 -0.20 0.00 -0.52 0.00 0.00 55.73 56.67 3gdc s ARG 43 Cb 0.00 -1.85 -0.05 0.00 0.52 0.00 0.00 34.95 33.57 3gdc s ARG 43 CO 0.00 -1.78 0.59 0.99 0.02 0.00 0.00 175.30 175.12 3gdc s THR 44 N -2.12 4.89 -0.19 0.02 2.01 -1.26 -0.87 115.64 118.12 3gdc s THR 44 Ca 0.72 1.24 -0.09 0.00 0.31 0.00 0.00 61.69 63.87 3gdc s THR 44 Cb -0.27 -3.93 -0.05 0.00 0.01 0.00 0.00 72.50 68.27 3gdc s THR 44 CO 0.46 0.43 0.11 -0.22 -0.69 0.00 0.00 174.62 174.71 3gdc s LEU 45 N -0.29 4.11 -0.08 4.42 2.96 0.92 -1.00 118.68 129.71 3gdc s LEU 45 Ca 0.31 0.21 0.04 0.00 -0.22 0.00 0.00 54.13 54.47 3gdc s LEU 45 Cb -0.18 -2.05 -0.01 0.00 0.50 0.00 0.00 46.19 44.45 3gdc s LEU 45 CO 0.17 0.20 -0.22 -0.13 -1.32 0.00 0.00 176.35 175.05 3gdc s ARG 46 N 0.24 2.84 -0.01 1.98 0.52 0.11 -1.66 118.95 122.97 3gdc s ARG 46 Ca 0.07 -0.84 0.05 0.00 -0.52 0.00 0.00 55.73 54.49 3gdc s ARG 46 Cb -0.11 -2.30 -0.01 0.00 0.52 0.00 0.00 34.95 33.04 3gdc s ARG 46 CO -0.01 0.31 -0.17 -1.21 0.02 0.00 0.00 175.30 174.24 3gdc s GLU 47 N 0.03 1.38 0.06 3.54 2.02 -0.85 -0.71 118.70 124.17 3gdc s GLU 47 Ca -0.08 -0.60 0.03 0.00 0.02 0.00 0.00 54.97 54.34 3gdc s GLU 47 Cb -0.15 -1.33 -0.03 0.00 0.10 0.00 0.00 34.13 32.72 3gdc s GLU 47 CO 0.05 0.35 -0.10 -1.58 0.02 0.00 0.00 175.26 174.01 3gdc s TRP 48 N -0.36 0.90 -0.15 1.61 0.51 -0.55 -2.05 118.94 118.84 3gdc s TRP 48 Ca 0.06 -0.53 -0.04 0.00 -2.12 0.00 0.00 56.10 53.47 3gdc s TRP 48 Cb -0.07 -0.52 -0.03 0.00 -0.81 0.00 0.00 33.47 32.05 3gdc s TRP 48 CO -0.00 -0.03 -0.01 -0.51 -0.51 0.00 0.00 176.95 175.88 3gdc s ASP 49 N -1.80 5.06 -0.08 2.95 1.01 -1.26 -0.70 116.67 121.84 3gdc s ASP 49 Ca -0.05 -0.04 0.00 0.00 0.71 0.00 0.00 52.55 53.18 3gdc s ASP 49 Cb -0.08 -1.78 0.02 0.00 1.01 0.00 0.00 42.92 42.09 3gdc s ASP 49 CO 0.01 0.20 -0.06 -0.63 0.21 0.00 0.00 175.17 174.90 3gdc s ILE 50 N 0.18 0.82 -0.18 0.77 1.01 -0.61 -4.96 121.20 118.23 3gdc s ILE 50 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 60.65 60.44 3gdc s ILE 50 Cb -0.13 -0.84 0.00 0.00 0.01 0.00 0.00 42.46 41.50 3gdc s ILE 50 CO 0.02 0.31 -0.14 -0.69 0.00 0.00 0.00 174.94 174.45 3gdc s VAL 51 N 1.40 2.69 -0.03 2.92 1.01 -1.26 -1.31 120.40 125.81 3gdc s VAL 51 Ca -0.02 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 60.91 3gdc s VAL 51 Cb -0.13 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 3gdc s VAL 51 CO -0.04 0.50 1.20 0.00 0.00 0.00 0.00 175.10 176.77 3gdc s ALA 52 N 1.08 3.47 -0.01 5.51 0.00 -0.48 0.37 121.76 131.71 3gdc s ALA 52 Ca -0.00 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.63 3gdc s ALA 52 Cb -0.14 -3.50 0.02 0.00 0.00 0.00 0.00 23.12 19.49 3gdc s ALA 52 CO -0.04 -0.70 0.01 0.54 0.00 0.00 0.00 175.76 175.57 3gdc s VAL 53 N 2.01 0.01 -0.02 0.00 0.11 0.11 -0.54 120.40 122.09 3gdc s VAL 53 Ca 0.57 0.11 -0.30 0.00 -2.93 0.00 0.00 61.98 59.43 3gdc s VAL 53 Cb -0.26 -0.10 -0.05 0.00 -1.53 0.00 0.00 36.38 34.45 3gdc s VAL 53 CO 0.23 0.07 1.33 -1.81 -3.33 0.00 0.00 175.10 171.60 3gdc s ASP 54 N 0.68 6.92 -0.13 3.54 1.01 -1.26 -1.67 116.67 125.75 3gdc s ASP 54 Ca -0.06 2.02 -0.12 0.00 0.71 0.00 0.00 52.55 55.10 3gdc s ASP 54 Cb -0.09 -2.56 0.04 0.00 1.01 0.00 0.00 42.92 41.32 3gdc s ASP 54 CO -0.02 -0.67 0.35 -0.75 0.21 0.00 0.00 175.17 174.29 3gdc s LYS 55 N 2.32 0.41 0.14 8.23 2.20 -0.76 -5.00 119.74 127.28 3gdc s LYS 55 Ca 0.61 0.50 -0.24 0.00 -0.36 0.00 0.00 55.97 56.48 3gdc s LYS 55 Cb -0.29 0.19 -0.07 0.00 -1.51 0.00 0.00 37.83 36.14 3gdc s LYS 55 CO 0.25 -0.06 0.75 -0.51 -0.36 0.00 0.00 175.35 175.42 3gdc s ASP 56 N 0.25 7.32 -0.05 1.43 1.11 -1.26 -0.80 116.67 124.67 3gdc s ASP 56 Ca -0.01 1.57 0.02 0.00 0.18 0.00 0.00 52.55 54.31 3gdc s ASP 56 Cb -0.03 -2.48 0.01 0.00 1.07 0.00 0.00 42.92 41.50 3gdc s ASP 56 CO -0.00 0.19 -0.09 -0.36 1.18 0.00 0.00 175.17 176.09 3gdc s PHE 57 N -0.99 1.07 -0.76 4.23 0.08 -0.08 -4.93 117.98 116.60 3gdc s PHE 57 Ca 0.35 -0.33 -0.21 0.00 0.12 0.00 0.00 56.93 56.85 3gdc s PHE 57 Cb -0.22 -0.82 0.09 0.00 -0.57 0.00 0.00 43.02 41.50 3gdc s PHE 57 CO 0.25 -0.19 1.04 -2.00 -0.10 0.00 0.00 175.22 174.22 3gdc s GLU 58 N 0.60 3.28 0.14 0.44 2.12 -1.03 0.39 118.70 124.64 3gdc s GLU 58 Ca -0.10 -1.12 0.16 0.00 0.36 0.00 0.00 54.97 54.27 3gdc s GLU 58 Cb -0.13 -4.50 -0.07 0.00 0.26 0.00 0.00 34.13 29.69 3gdc s GLU 58 CO 0.02 -1.83 1.06 -0.84 -0.54 0.00 0.00 175.26 173.13 3gdc h ILE 59 N 5.98 0.67 -4.00 -3.70 3.07 -1.67 -3.39 117.51 114.48 3gdc h ILE 59 Ca -0.13 -2.13 -0.18 0.00 1.55 0.00 0.00 64.86 63.97 3gdc h ILE 59 Cb 1.05 2.20 -0.20 0.00 -0.27 0.00 0.00 36.82 39.60 3gdc h ILE 59 CO 1.18 0.38 -0.70 0.00 -1.05 0.00 0.00 178.15 177.96 3gdc s ALA 60 N -2.93 0.23 -0.47 0.16 0.00 -1.23 -4.10 121.76 113.42 3gdc s ALA 60 Ca -0.00 -0.68 -0.38 0.00 0.00 0.00 0.00 51.96 50.90 3gdc s ALA 60 Cb 0.08 0.15 -0.15 0.00 0.00 0.00 0.00 23.12 23.20 3gdc s ALA 60 CO 0.79 -0.16 2.22 -2.30 0.00 0.00 0.00 175.76 176.30 3gdc n PRO 61 N 1.43 0.55 -0.85 0.00 -0.02 -1.26 0.56 135.00 135.41 3gdc n PRO 61 Ca -0.23 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 3gdc n PRO 61 Cb 0.56 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 3gdc n PRO 61 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gdc n GLY 62 N 6.92 0.81 3.27 -1.23 0.00 -1.26 -5.02 105.19 108.69 3gdc n GLY 62 Ca 0.49 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.12 3gdc n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gdc s ILE 63 N -3.15 4.01 -0.28 -0.61 -1.09 0.19 -5.06 121.20 115.20 3gdc s ILE 63 Ca 0.00 -1.29 -0.16 0.00 -2.23 0.00 0.00 60.65 56.97 3gdc s ILE 63 Cb 0.00 -3.38 -0.03 0.00 -1.58 0.00 0.00 42.46 37.48 3gdc s ILE 63 CO 0.00 -0.36 0.44 -0.63 -1.23 0.00 0.00 174.94 173.15 3gdc s ILE 64 N 1.41 5.12 -0.19 2.92 1.01 -1.26 -1.87 121.20 128.34 3gdc s ILE 64 Ca 0.01 0.59 -0.15 0.00 0.00 0.00 0.00 60.65 61.10 3gdc s ILE 64 Cb -0.21 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 3gdc s ILE 64 CO 0.02 0.06 0.36 0.12 0.00 0.00 0.00 174.94 175.50 3gdc s PHE 65 N 2.19 3.40 -0.86 3.97 5.36 0.16 -4.91 117.98 127.28 3gdc s PHE 65 Ca 0.17 0.59 -0.22 0.00 -0.96 0.00 0.00 56.93 56.51 3gdc s PHE 65 Cb -0.16 -2.46 0.08 0.00 -0.34 0.00 0.00 43.02 40.15 3gdc s PHE 65 CO 0.10 0.06 1.18 0.15 -1.46 0.00 0.00 175.22 175.26 3gdc s LYS 66 N 1.06 3.43 0.29 10.12 -0.14 -1.26 -0.90 119.74 132.34 3gdc s LYS 66 Ca 0.18 -1.21 -0.03 0.00 -1.36 0.00 0.00 55.97 53.55 3gdc s LYS 66 Cb -0.14 -4.78 -0.05 0.00 -1.68 0.00 0.00 37.83 31.18 3gdc s LYS 66 CO 0.07 -1.93 0.54 0.20 -0.76 0.00 0.00 175.35 173.46 3gdc s GLY 67 N 4.00 1.74 -0.20 -3.33 0.00 0.01 -4.96 107.32 104.59 3gdc s GLY 67 Ca 0.34 -0.66 -0.04 0.00 0.00 0.00 0.00 44.72 44.36 3gdc s GLY 67 CO -0.02 -0.56 -0.04 -0.98 0.00 0.00 0.00 173.10 171.50 3gdc s TRP 68 N -2.12 2.97 0.02 1.90 0.51 0.08 -1.82 118.94 120.48 3gdc s TRP 68 Ca 0.43 -0.68 0.02 0.00 -2.12 0.00 0.00 56.10 53.74 3gdc s TRP 68 Cb -0.11 -2.06 -0.01 0.00 -0.81 0.00 0.00 33.47 30.49 3gdc s TRP 68 CO 0.31 -0.36 -0.06 -1.54 -0.51 0.00 0.00 176.95 174.80 3gdc s SER 69 N 1.09 0.65 -0.26 2.95 1.04 -0.67 -2.38 113.70 116.13 3gdc s SER 69 Ca 0.01 -0.29 -0.25 0.00 0.48 0.00 0.00 55.95 55.90 3gdc s SER 69 Cb -0.15 -0.01 -0.00 0.00 0.10 0.00 0.00 66.02 65.96 3gdc s SER 69 CO 0.00 -0.07 0.86 -0.31 0.98 0.00 0.00 173.24 174.71 3gdc s TYR 70 N -0.70 3.28 -1.89 5.02 2.02 -1.25 0.09 117.35 123.91 3gdc s TYR 70 Ca -0.04 1.12 0.00 0.00 -0.37 0.00 0.00 57.07 57.78 3gdc s TYR 70 Cb -0.06 -3.15 0.00 0.00 -0.40 0.00 0.00 41.96 38.35 3gdc s TYR 70 CO 0.00 -0.47 0.00 0.09 -1.57 0.00 0.00 175.55 173.60 3gdc n ASN 71 N 6.14 -5.62 -0.20 2.29 3.02 0.16 -3.12 115.26 117.93 3gdc n ASN 71 Ca 0.06 0.19 -0.03 0.00 -0.03 0.00 0.00 54.58 54.78 3gdc n ASN 71 Cb 0.47 -4.74 -0.01 0.00 -0.61 0.00 0.00 39.78 34.89 3gdc n ASN 71 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gdc n GLY 72 N -0.81 0.59 3.04 7.41 0.00 -1.26 -5.03 105.19 109.14 3gdc n GLY 72 Ca -0.22 -0.70 -0.14 0.00 0.00 0.00 0.00 46.02 44.96 3gdc n GLY 72 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3gdc s ARG 73 N -1.83 0.51 -0.15 1.61 1.70 -1.18 -4.96 118.95 114.65 3gdc s ARG 73 Ca 0.00 -0.63 0.00 0.00 -0.47 0.00 0.00 55.73 54.63 3gdc s ARG 73 Cb 0.00 -0.33 0.03 0.00 -0.57 0.00 0.00 34.95 34.08 3gdc s ARG 73 CO 0.00 0.07 -0.10 0.42 -1.08 0.00 0.00 175.30 174.61 3gdc s ILE 74 N -1.10 1.32 0.95 4.99 1.01 -1.26 -3.28 121.20 123.82 3gdc s ILE 74 Ca -0.07 -0.58 -0.12 0.00 0.00 0.00 0.00 60.65 59.88 3gdc s ILE 74 Cb -0.08 -1.34 0.16 0.00 0.01 0.00 0.00 42.46 41.21 3gdc s ILE 74 CO 0.00 0.32 1.09 -2.16 0.00 0.00 0.00 174.94 174.20 3gdc s PRO 75 N 1.57 0.82 1.16 2.79 0.04 -1.26 -4.17 135.00 135.94 3gdc s PRO 75 Ca 0.03 0.75 -0.19 0.00 0.04 0.00 0.00 61.00 61.63 3gdc s PRO 75 Cb -0.14 -1.76 0.29 0.00 0.04 0.00 0.00 34.50 32.93 3gdc s PRO 75 CO -0.09 -2.53 0.98 0.41 0.04 0.00 0.00 177.00 175.81 3gdc n GLY 76 N -0.91 -2.90 3.58 0.56 0.00 0.15 -4.94 105.19 100.73 3gdc n GLY 76 Ca 0.06 -1.47 -0.45 0.00 0.00 0.00 0.00 46.02 44.17 3gdc n GLY 76 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gdc n PRO 77 N -4.68 1.27 -3.00 1.61 -0.02 -1.26 -4.54 135.00 124.37 3gdc n PRO 77 Ca 0.14 0.45 -0.44 0.00 -2.02 0.00 0.00 63.50 61.62 3gdc n PRO 77 Cb 0.54 -1.80 -0.04 0.00 -0.02 0.00 0.00 33.50 32.18 3gdc n PRO 77 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3gdc s THR 78 N -1.07 4.61 0.25 3.45 2.01 -1.26 -3.71 115.64 119.91 3gdc s THR 78 Ca 0.59 -0.67 -0.30 0.00 0.31 0.00 0.00 61.69 61.63 3gdc s THR 78 Cb -0.70 -4.56 -0.09 0.00 0.01 0.00 0.00 72.50 67.16 3gdc s THR 78 CO 0.60 -1.24 1.09 -0.76 -0.69 0.00 0.00 174.62 173.62 3gdc s LEU 79 N 3.28 4.55 -0.04 4.42 1.43 -0.33 -0.27 118.68 131.72 3gdc s LEU 79 Ca 0.17 2.21 0.02 0.00 -1.03 0.00 0.00 54.13 55.50 3gdc s LEU 79 Cb -0.21 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.40 3gdc s LEU 79 CO 0.09 -0.14 -0.09 0.86 0.23 0.00 0.00 176.35 177.30 3gdc s TRP 80 N -0.95 1.02 0.12 0.29 -0.00 -0.38 -0.51 118.94 118.53 3gdc s TRP 80 Ca 0.45 -0.29 -0.06 0.00 -0.00 0.00 0.00 56.10 56.20 3gdc s TRP 80 Cb -0.31 -0.76 -0.02 0.00 -0.00 0.00 0.00 33.47 32.38 3gdc s TRP 80 CO 0.39 -0.16 0.17 0.00 -0.00 0.00 0.00 176.95 177.35 3gdc s ALA 81 N 0.46 0.15 0.01 5.86 0.00 -0.62 -4.29 121.76 123.33 3gdc s ALA 81 Ca -0.08 -0.94 -0.06 0.00 0.00 0.00 0.00 51.96 50.87 3gdc s ALA 81 Cb -0.12 0.66 -0.05 0.00 0.00 0.00 0.00 23.12 23.61 3gdc s ALA 81 CO 0.01 -0.53 0.27 0.50 0.00 0.00 0.00 175.76 176.01 3gdc s ARG 82 N -3.94 3.58 -0.00 0.00 3.52 -1.26 -1.28 118.95 119.57 3gdc s ARG 82 Ca 0.13 -0.08 -0.37 0.00 -0.13 0.00 0.00 55.73 55.28 3gdc s ARG 82 Cb 0.05 -3.07 -0.16 0.00 -1.56 0.00 0.00 34.95 30.21 3gdc s ARG 82 CO -0.05 0.64 1.47 -1.91 -0.81 0.00 0.00 175.30 174.64 3gdc n GLU 83 N 1.07 1.25 0.00 5.12 2.13 0.98 -1.95 120.64 129.24 3gdc n GLU 83 Ca -0.11 0.45 0.00 0.00 0.66 0.00 0.00 57.16 58.17 3gdc n GLU 83 Cb 0.53 -2.12 0.00 0.00 0.27 0.00 0.00 31.44 30.12 3gdc n GLU 83 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gdc n GLY 84 N 3.04 2.24 3.76 8.31 0.00 -0.23 -4.58 105.19 117.73 3gdc n GLY 84 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 3gdc n GLY 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gdc s ASP 85 N -1.43 5.70 -0.02 1.61 1.01 -0.82 -4.62 116.67 118.08 3gdc s ASP 85 Ca 0.00 2.83 -0.27 0.00 0.71 0.00 0.00 52.55 55.81 3gdc s ASP 85 Cb 0.00 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.25 3gdc s ASP 85 CO 0.00 -1.29 0.87 0.00 0.21 0.00 0.00 175.17 174.96 3gdc s ALA 86 N -1.25 3.23 -0.02 5.23 0.00 -0.17 -0.37 121.76 128.41 3gdc s ALA 86 Ca 0.65 0.38 0.05 0.00 0.00 0.00 0.00 51.96 53.03 3gdc s ALA 86 Cb -0.42 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 3gdc s ALA 86 CO 0.52 -0.18 -0.15 -0.51 0.00 0.00 0.00 175.76 175.44 3gdc s LEU 87 N 0.91 2.70 -0.08 0.00 1.43 -0.00 -0.71 118.68 122.93 3gdc s LEU 87 Ca 0.46 -0.27 -0.00 0.00 -1.03 0.00 0.00 54.13 53.29 3gdc s LEU 87 Cb -0.20 -1.56 0.02 0.00 0.03 0.00 0.00 46.19 44.49 3gdc s LEU 87 CO 0.24 0.31 -0.04 -0.13 0.23 0.00 0.00 176.35 176.96 3gdc s ARG 88 N -0.99 1.02 -0.30 1.70 0.52 0.11 -2.83 118.95 118.17 3gdc s ARG 88 Ca 0.13 -0.09 -0.01 0.00 -0.52 0.00 0.00 55.73 55.24 3gdc s ARG 88 Cb -0.11 -1.16 0.06 0.00 0.52 0.00 0.00 34.95 34.26 3gdc s ARG 88 CO 0.02 -0.22 0.00 0.42 0.02 0.00 0.00 175.30 175.55 3gdc s ILE 89 N 1.56 2.85 -0.65 1.52 1.09 -0.27 -1.47 121.20 125.84 3gdc s ILE 89 Ca -0.00 -1.52 -0.24 0.00 -1.10 0.00 0.00 60.65 57.79 3gdc s ILE 89 Cb -0.13 -2.69 0.05 0.00 -1.06 0.00 0.00 42.46 38.63 3gdc s ILE 89 CO -0.04 -0.17 1.02 -1.00 -0.10 0.00 0.00 174.94 174.65 3gdc s HIS 90 N 1.20 2.63 -0.19 3.97 3.76 0.12 -0.77 115.29 126.02 3gdc s HIS 90 Ca -0.04 -0.31 -0.12 0.00 -0.15 0.00 0.00 55.06 54.44 3gdc s HIS 90 Cb -0.20 -4.31 -0.05 0.00 1.11 0.00 0.00 32.58 29.14 3gdc s HIS 90 CO -0.02 -1.66 0.23 0.12 -0.85 0.00 0.00 174.74 172.56 3gdc s PHE 91 N 4.37 3.42 -0.10 1.40 5.36 0.18 -1.58 117.98 131.03 3gdc s PHE 91 Ca 0.27 0.46 0.03 0.00 -0.96 0.00 0.00 56.93 56.73 3gdc s PHE 91 Cb -0.14 -2.28 0.01 0.00 -0.34 0.00 0.00 43.02 40.26 3gdc s PHE 91 CO 0.14 0.22 -0.19 0.99 -1.46 0.00 0.00 175.22 174.91 3gdc s THR 92 N 0.56 1.74 -0.48 0.12 2.01 -0.43 -0.45 115.64 118.71 3gdc s THR 92 Ca 0.13 -0.82 -0.20 0.00 0.31 0.00 0.00 61.69 61.10 3gdc s THR 92 Cb -0.12 -1.53 0.04 0.00 0.01 0.00 0.00 72.50 70.89 3gdc s THR 92 CO 0.02 0.49 0.67 0.21 -0.69 0.00 0.00 174.62 175.32 3gdc s ASN 93 N 0.57 6.28 -0.01 3.53 2.47 -0.50 -1.38 114.94 125.91 3gdc s ASN 93 Ca -0.15 -0.59 0.20 0.00 0.42 0.00 0.00 52.86 52.74 3gdc s ASN 93 Cb -0.17 -2.32 0.59 0.00 -1.45 0.00 0.00 41.25 37.90 3gdc s ASN 93 CO 0.05 -0.89 1.49 0.00 -3.72 0.00 0.00 177.10 174.04 3gdc n ALA 94 N 6.38 2.38 -1.93 1.71 0.00 0.29 -0.36 120.51 128.98 3gdc n ALA 94 Ca -0.03 -1.30 -0.28 0.00 0.00 0.00 0.00 53.44 51.82 3gdc n ALA 94 Cb 0.47 -0.84 0.15 0.00 0.00 0.00 0.00 19.45 19.23 3gdc n ALA 94 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3gdc s GLY 95 N -1.00 1.74 0.02 0.00 0.00 -1.09 -4.61 107.32 102.38 3gdc s GLY 95 Ca 0.44 -1.15 0.26 0.00 0.00 0.00 0.00 44.72 44.27 3gdc s GLY 95 CO 0.30 -0.49 1.55 0.00 0.00 0.00 0.00 173.10 174.46 3gdc n ALA 96 N -3.49 3.10 -2.44 3.20 0.00 -1.26 -4.58 120.51 115.04 3gdc n ALA 96 Ca 0.13 -0.26 -0.26 0.00 0.00 0.00 0.00 53.44 53.06 3gdc n ALA 96 Cb 0.60 -1.23 -0.11 0.00 0.00 0.00 0.00 19.45 18.71 3gdc n ALA 96 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3gdc s HIS 97 N -3.03 2.30 0.42 0.00 3.76 -1.26 -4.88 115.29 112.60 3gdc s HIS 97 Ca 0.11 -0.35 -0.25 0.00 -0.15 0.00 0.00 55.06 54.42 3gdc s HIS 97 Cb 0.17 -1.07 -0.08 0.00 1.11 0.00 0.00 32.58 32.71 3gdc s HIS 97 CO 0.65 0.60 1.25 -1.25 -0.85 0.00 0.00 174.74 175.14 3gdc s PRO 98 N -3.04 3.92 0.20 8.40 0.04 -1.26 -4.37 135.00 138.90 3gdc s PRO 98 Ca 0.25 2.02 -0.00 0.00 0.04 0.00 0.00 61.00 63.30 3gdc s PRO 98 Cb -0.07 -2.67 -0.04 0.00 0.04 0.00 0.00 34.50 31.76 3gdc s PRO 98 CO 0.12 -0.48 0.09 -1.01 0.04 0.00 0.00 177.00 175.76 3gdc s HIS 99 N -1.34 1.22 0.34 0.56 3.76 -0.77 -4.89 115.29 114.17 3gdc s HIS 99 Ca 0.58 -1.26 0.05 0.00 -0.15 0.00 0.00 55.06 54.28 3gdc s HIS 99 Cb -0.35 -0.66 -0.03 0.00 1.11 0.00 0.00 32.58 32.65 3gdc s HIS 99 CO 0.44 -0.48 0.20 0.95 -0.85 0.00 0.00 174.74 174.99 3gdc s THR 100 N -3.97 0.24 -0.17 1.30 -4.23 -1.26 -0.88 115.64 106.67 3gdc s THR 100 Ca 0.34 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.86 3gdc s THR 100 Cb 0.07 -2.46 0.03 0.00 1.34 0.00 0.00 72.50 71.48 3gdc s THR 100 CO 0.10 0.00 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.39 3gdc s ILE 101 N -3.46 1.78 -0.24 2.99 1.01 -1.26 -4.04 121.20 117.97 3gdc s ILE 101 Ca 0.35 -0.82 -0.08 0.00 0.00 0.00 0.00 60.65 60.09 3gdc s ILE 101 Cb 0.03 -1.67 -0.03 0.00 0.01 0.00 0.00 42.46 40.80 3gdc s ILE 101 CO 0.21 0.43 0.08 -2.28 0.00 0.00 0.00 174.94 173.39 3gdc s HIS 102 N 1.39 3.12 -0.06 3.97 5.65 0.74 -3.86 115.29 126.24 3gdc s HIS 102 Ca 0.04 -0.28 -0.14 0.00 0.25 0.00 0.00 55.06 54.93 3gdc s HIS 102 Cb -0.14 -2.23 -0.05 0.00 -1.18 0.00 0.00 32.58 28.98 3gdc s HIS 102 CO -0.11 -0.26 0.35 -0.06 -0.65 0.00 0.00 174.74 174.02 3gdc s PHE 103 N 1.45 3.64 -0.39 3.88 0.08 -1.26 -1.30 117.98 124.08 3gdc s PHE 103 Ca 0.06 0.84 -0.26 0.00 0.12 0.00 0.00 56.93 57.68 3gdc s PHE 103 Cb -0.15 -2.28 0.02 0.00 -0.57 0.00 0.00 43.02 40.04 3gdc s PHE 103 CO 0.04 0.53 0.97 -1.01 -0.10 0.00 0.00 175.22 175.65 3gdc s HIS 104 N -0.60 3.03 0.00 0.36 3.76 -0.01 -4.90 115.29 116.93 3gdc s HIS 104 Ca 0.21 0.75 0.00 0.00 -0.15 0.00 0.00 55.06 55.87 3gdc s HIS 104 Cb -0.15 -3.80 0.00 0.00 1.11 0.00 0.00 32.58 29.74 3gdc s HIS 104 CO 0.10 -0.92 0.00 0.41 -0.85 0.00 0.00 174.74 173.48 3gdc n GLY 105 N 4.47 1.91 3.70 -2.22 0.00 -1.26 -4.35 105.19 107.45 3gdc n GLY 105 Ca 0.08 -1.20 -0.40 0.00 0.00 0.00 0.00 46.02 44.51 3gdc n GLY 105 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gdc s VAL 106 N -1.99 5.04 0.23 1.61 1.01 -0.22 -4.99 120.40 121.10 3gdc s VAL 106 Ca 0.00 1.32 -0.22 0.00 0.00 0.00 0.00 61.98 63.07 3gdc s VAL 106 Cb 0.00 -3.99 0.04 0.00 0.00 0.00 0.00 36.38 32.43 3gdc s VAL 106 CO 0.00 0.20 0.78 -1.38 0.00 0.00 0.00 175.10 174.70 3gdc s HIS 107 N 1.23 -0.20 0.65 5.22 -0.00 -1.26 -4.51 115.29 116.42 3gdc s HIS 107 Ca 0.33 -0.20 -0.15 0.00 -0.00 0.00 0.00 55.06 55.04 3gdc s HIS 107 Cb -0.17 0.68 -0.01 0.00 -0.00 0.00 0.00 32.58 33.09 3gdc s HIS 107 CO 0.14 -1.09 1.11 1.03 -0.00 0.00 0.00 174.74 175.94 3gdc s ARG 108 N -3.72 2.85 0.40 -0.38 0.52 -1.26 -4.95 118.95 112.41 3gdc s ARG 108 Ca 0.11 1.42 0.08 0.00 -0.52 0.00 0.00 55.73 56.82 3gdc s ARG 108 Cb -0.04 -1.95 0.86 0.00 0.52 0.00 0.00 34.95 34.33 3gdc s ARG 108 CO 0.04 -1.22 1.99 0.00 0.02 0.00 0.00 175.30 176.14 3gdc h ALA 109 N 0.15 1.79 0.00 2.13 0.00 -2.01 -0.92 119.26 120.41 3gdc h ALA 109 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3gdc h ALA 109 Cb 1.25 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3gdc h ALA 109 CO 0.54 0.11 0.00 1.79 0.00 0.00 0.00 179.25 181.70 3gdc h THR 110 N 0.60 0.00 -0.49 0.00 1.35 -1.92 -2.88 112.91 109.57 3gdc h THR 110 Ca 0.26 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 3gdc h THR 110 Cb 0.25 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 3gdc h THR 110 CO -0.08 0.00 0.00 0.23 -0.25 0.00 0.00 175.52 175.42 3gdc n MET 111 N -2.33 3.59 0.03 4.72 2.81 -0.36 -4.42 117.12 121.15 3gdc n MET 111 Ca 0.02 -2.80 0.12 0.00 -1.81 0.00 0.00 57.70 53.24 3gdc n MET 111 Cb 0.27 -1.85 0.19 0.00 -0.71 0.00 0.00 33.22 31.12 3gdc n MET 111 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3gdc n ASP 112 N 0.50 0.59 -1.43 7.83 2.03 -1.09 -4.78 116.55 120.20 3gdc n ASP 112 Ca 0.23 -0.08 -0.13 0.00 0.52 0.00 0.00 54.79 55.32 3gdc n ASP 112 Cb 0.87 0.27 -0.01 0.00 -0.72 0.00 0.00 41.12 41.53 3gdc n ASP 112 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3gdc n GLY 113 N 1.42 0.03 3.49 0.27 0.00 -1.25 -4.36 105.19 104.79 3gdc n GLY 113 Ca 0.04 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 3gdc n GLY 113 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gdc s THR 114 N -2.63 4.27 0.17 2.61 2.01 -1.26 -4.39 115.64 116.42 3gdc s THR 114 Ca 0.00 -0.20 -0.34 0.00 0.31 0.00 0.00 61.69 61.46 3gdc s THR 114 Cb 0.00 -2.95 -0.15 0.00 0.01 0.00 0.00 72.50 69.41 3gdc s THR 114 CO 0.00 0.40 1.43 -2.65 -0.69 0.00 0.00 174.62 173.11 3gdc n PRO 115 N 4.32 1.78 0.00 4.92 -0.02 -1.26 -1.84 135.00 142.90 3gdc n PRO 115 Ca -0.17 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 3gdc n PRO 115 Cb 0.52 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 3gdc n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gdc n GLY 116 N 2.71 2.20 3.31 -1.23 0.00 -1.26 -4.91 105.19 106.01 3gdc n GLY 116 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 3gdc n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gdc s ILE 117 N -2.48 3.16 0.00 -0.61 1.01 -0.77 -4.96 121.20 116.55 3gdc s ILE 117 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.07 3gdc s ILE 117 Cb 0.00 -2.40 0.00 0.00 0.01 0.00 0.00 42.46 40.07 3gdc s ILE 117 CO 0.00 0.46 0.00 0.61 0.00 0.00 0.00 174.94 176.01 3gdc n GLY 118 N 4.44 3.41 0.31 6.18 0.00 -1.26 -1.90 105.19 116.37 3gdc n GLY 118 Ca -0.18 -0.11 0.05 0.00 0.00 0.00 0.00 46.02 45.78 3gdc n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gdc h ALA 119 N -0.86 1.74 -0.98 4.61 0.00 -1.91 -3.47 119.26 118.38 3gdc h ALA 119 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3gdc h ALA 119 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3gdc h ALA 119 CO 0.00 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.89 3gdc n GLY 120 N -1.48 3.18 3.71 0.00 0.00 -0.80 -4.63 105.19 105.18 3gdc n GLY 120 Ca 0.04 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 3gdc n GLY 120 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gdc n SER 121 N 2.18 3.92 -4.48 1.61 7.64 -1.26 -4.67 113.62 118.56 3gdc n SER 121 Ca 0.00 1.06 -0.43 0.00 1.01 0.00 0.00 58.87 60.51 3gdc n SER 121 Cb 0.00 -1.56 -0.08 0.00 -1.01 0.00 0.00 64.21 61.56 3gdc n SER 121 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3gdc s ILE 122 N 1.16 5.00 0.80 0.44 -1.09 -0.06 -4.94 121.20 122.50 3gdc s ILE 122 Ca 0.75 -0.27 -0.12 0.00 -2.23 0.00 0.00 60.65 58.78 3gdc s ILE 122 Cb -0.52 -4.11 0.08 0.00 -1.58 0.00 0.00 42.46 36.32 3gdc s ILE 122 CO 0.33 -0.52 1.13 0.00 -1.23 0.00 0.00 174.94 174.66 3gdc s ALA 123 N 2.35 2.00 0.09 9.38 0.00 -1.26 -1.84 121.76 132.48 3gdc s ALA 123 Ca 0.15 0.53 -0.34 0.00 0.00 0.00 0.00 51.96 52.30 3gdc s ALA 123 Cb -0.17 -3.38 -0.13 0.00 0.00 0.00 0.00 23.12 19.45 3gdc s ALA 123 CO 0.15 -2.05 1.68 -2.30 0.00 0.00 0.00 175.76 173.23 3gdc n PRO 124 N -3.46 2.20 0.00 0.00 -0.02 -1.26 -1.46 135.00 131.01 3gdc n PRO 124 Ca 0.11 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 3gdc n PRO 124 Cb 0.52 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 3gdc n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gdc n GLY 125 N 3.75 0.85 3.94 -1.23 0.00 0.51 -5.04 105.19 107.97 3gdc n GLY 125 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 3gdc n GLY 125 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gdc s GLN 126 N -0.74 3.32 0.12 1.61 -1.52 -0.53 -4.88 119.66 117.04 3gdc s GLN 126 Ca 0.00 -0.33 0.04 0.00 -1.95 0.00 0.00 55.36 53.12 3gdc s GLN 126 Cb 0.00 -2.59 -0.04 0.00 -0.22 0.00 0.00 33.01 30.16 3gdc s GLN 126 CO 0.00 -0.06 -0.10 -1.12 -0.25 0.00 0.00 175.29 173.76 3gdc s SER 127 N -4.12 1.61 -0.25 5.90 0.01 -1.26 -1.40 113.70 114.18 3gdc s SER 127 Ca 0.44 -0.92 -0.23 0.00 1.31 0.00 0.00 55.95 56.55 3gdc s SER 127 Cb -0.10 0.00 0.07 0.00 0.21 0.00 0.00 66.02 66.20 3gdc s SER 127 CO 0.38 -0.30 0.67 0.12 0.41 0.00 0.00 173.24 174.52 3gdc s PHE 128 N -2.90 -0.75 -0.37 2.43 5.36 0.41 -5.00 117.98 117.15 3gdc s PHE 128 Ca 0.11 1.82 -0.13 0.00 -0.96 0.00 0.00 56.93 57.77 3gdc s PHE 128 Cb 0.00 0.26 0.01 0.00 -0.34 0.00 0.00 43.02 42.95 3gdc s PHE 128 CO -0.00 -0.36 0.24 0.99 -1.46 0.00 0.00 175.22 174.63 3gdc s THR 129 N 0.39 4.95 -0.27 0.12 2.01 -1.26 -0.65 115.64 120.93 3gdc s THR 129 Ca -0.00 -0.62 -0.29 0.00 0.31 0.00 0.00 61.69 61.08 3gdc s THR 129 Cb -0.05 -3.69 0.01 0.00 0.01 0.00 0.00 72.50 68.78 3gdc s THR 129 CO 0.00 -0.19 1.10 -0.31 -0.69 0.00 0.00 174.62 174.54 3gdc s TYR 130 N 1.64 3.15 -0.13 4.92 2.02 0.05 -4.88 117.35 124.12 3gdc s TYR 130 Ca 0.04 1.25 0.03 0.00 -0.37 0.00 0.00 57.07 58.02 3gdc s TYR 130 Cb -0.19 -3.54 0.00 0.00 -0.40 0.00 0.00 41.96 37.84 3gdc s TYR 130 CO 0.08 -0.84 -0.22 -1.21 -1.57 0.00 0.00 175.55 171.80 3gdc s GLU 131 N 3.51 3.07 0.17 -0.62 2.02 -1.26 -1.11 118.70 124.49 3gdc s GLU 131 Ca 0.47 -0.84 -0.24 0.00 0.02 0.00 0.00 54.97 54.37 3gdc s GLU 131 Cb -0.15 -2.42 0.06 0.00 0.10 0.00 0.00 34.13 31.73 3gdc s GLU 131 CO 0.12 0.07 0.93 -0.59 0.02 0.00 0.00 175.26 175.82 3gdc s PHE 132 N 0.62 -0.13 0.31 1.61 -0.12 -1.13 -4.79 117.98 114.35 3gdc s PHE 132 Ca -0.11 -0.20 -0.07 0.00 -0.05 0.00 0.00 56.93 56.50 3gdc s PHE 132 Cb -0.16 0.65 -0.06 0.00 -0.63 0.00 0.00 43.02 42.82 3gdc s PHE 132 CO 0.03 -0.89 0.61 -0.51 -0.05 0.00 0.00 175.22 174.41 3gdc s ASP 133 N -2.95 6.48 -0.97 1.98 1.01 -1.26 -0.82 116.67 120.13 3gdc s ASP 133 Ca 0.12 0.83 -0.24 0.00 0.71 0.00 0.00 52.55 53.98 3gdc s ASP 133 Cb -0.02 -2.19 0.03 0.00 1.01 0.00 0.00 42.92 41.75 3gdc s ASP 133 CO 0.03 -0.24 1.53 0.00 0.21 0.00 0.00 175.17 176.71 3gdc s ALA 134 N -2.14 2.52 -0.22 5.23 0.00 0.50 -4.78 121.76 122.88 3gdc s ALA 134 Ca 0.46 -2.02 -0.24 0.00 0.00 0.00 0.00 51.96 50.16 3gdc s ALA 134 Cb -0.11 -4.51 0.07 0.00 0.00 0.00 0.00 23.12 18.57 3gdc s ALA 134 CO 0.30 -3.81 0.67 -0.08 0.00 0.00 0.00 175.76 172.84 3gdc s THR 135 N 6.03 0.00 0.80 0.00 -1.32 -1.26 -1.07 115.64 118.81 3gdc s THR 135 Ca 0.50 -0.01 -0.12 0.00 -1.21 0.00 0.00 61.69 60.85 3gdc s THR 135 Cb -0.02 -0.94 0.07 0.00 -1.51 0.00 0.00 72.50 70.10 3gdc s THR 135 CO -0.06 -0.00 1.15 -2.16 -2.21 0.00 0.00 174.62 171.34 3gdc s PRO 136 N 0.11 2.08 0.58 7.08 0.04 -1.26 -1.05 135.00 142.57 3gdc s PRO 136 Ca -0.02 0.25 -0.19 0.00 0.04 0.00 0.00 61.00 61.08 3gdc s PRO 136 Cb -0.04 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 3gdc s PRO 136 CO 0.02 -1.54 1.22 -0.59 0.04 0.00 0.00 177.00 176.15 3gdc s PHE 137 N -3.46 2.41 -5.00 0.56 -0.12 -1.26 -4.80 117.98 106.31 3gdc s PHE 137 Ca 0.61 1.50 0.00 0.00 -0.05 0.00 0.00 56.93 58.99 3gdc s PHE 137 Cb -0.12 -3.51 0.00 0.00 -0.63 0.00 0.00 43.02 38.76 3gdc s PHE 137 CO 0.51 -2.24 0.00 0.41 -0.05 0.00 0.00 175.22 173.85 3gdc n GLY 138 N 0.54 -0.32 3.49 1.99 0.00 0.15 -4.44 105.19 106.60 3gdc n GLY 138 Ca 0.13 -1.72 -0.38 0.00 0.00 0.00 0.00 46.02 44.05 3gdc n GLY 138 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gdc s THR 139 N -1.53 4.76 0.00 2.61 2.01 0.44 -0.51 115.64 123.43 3gdc s THR 139 Ca 0.00 -0.13 0.00 0.00 0.31 0.00 0.00 61.69 61.87 3gdc s THR 139 Cb 0.00 -3.31 0.00 0.00 0.01 0.00 0.00 72.50 69.20 3gdc s THR 139 CO 0.00 0.22 0.00 1.41 -0.69 0.00 0.00 174.62 175.56 3gdc n HIS 140 N 4.99 0.00 -3.87 4.92 8.25 0.19 -4.65 115.22 125.05 3gdc n HIS 140 Ca -0.15 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.24 3gdc n HIS 140 Cb 0.51 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.60 3gdc n HIS 140 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 3gdc s LEU 141 N 0.00 -0.18 0.04 2.41 2.34 -1.26 -1.71 118.68 120.33 3gdc s LEU 141 Ca 0.00 -0.68 -0.00 0.00 0.06 0.00 0.00 54.13 53.51 3gdc s LEU 141 Cb 0.00 2.65 -0.03 0.00 -0.56 0.00 0.00 46.19 48.25 3gdc s LEU 141 CO 0.00 -1.36 -0.04 -0.72 -1.06 0.00 0.00 176.35 173.17 3gdc s TYR 142 N -3.80 0.49 0.19 3.48 -0.85 -0.56 -0.83 117.35 115.47 3gdc s TYR 142 Ca 0.12 -0.81 -0.23 0.00 -0.52 0.00 0.00 57.07 55.63 3gdc s TYR 142 Cb -0.05 -0.34 0.05 0.00 0.38 0.00 0.00 41.96 42.00 3gdc s TYR 142 CO 0.08 -0.26 0.68 -3.38 -1.52 0.00 0.00 175.55 171.15 3gdc s HIS 143 N -2.80 -0.38 0.60 -3.49 -3.43 -0.42 -1.64 115.29 103.73 3gdc s HIS 143 Ca -0.02 0.09 -0.19 0.00 -0.80 0.00 0.00 55.06 54.14 3gdc s HIS 143 Cb -0.00 0.61 -0.03 0.00 -1.43 0.00 0.00 32.58 31.73 3gdc s HIS 143 CO -0.05 -0.96 1.24 0.00 -2.00 0.00 0.00 174.74 172.96 3gdc n HIS 145 N -1.62 0.00 -2.55 0.00 -0.00 -1.26 -4.66 115.22 105.14 3gdc n HIS 145 Ca 0.14 -0.69 -0.40 0.00 0.46 0.00 0.00 57.72 57.22 3gdc n HIS 145 Cb 0.49 -0.13 -0.05 0.00 -0.12 0.00 0.00 29.99 30.18 3gdc n HIS 145 CO 0.00 0.00 0.00 -1.14 0.46 0.00 0.00 176.34 175.66 3gdc s GLN 146 N -1.76 4.69 0.30 1.57 2.00 -1.26 -4.55 119.66 120.65 3gdc s GLN 146 Ca 0.22 1.72 -0.16 0.00 -2.00 0.00 0.00 55.36 55.14 3gdc s GLN 146 Cb 0.21 -3.20 -0.09 0.00 0.80 0.00 0.00 33.01 30.73 3gdc s GLN 146 CO -0.01 0.28 0.74 -1.54 -0.50 0.00 0.00 175.29 174.27 3gdc s SER 147 N -0.97 6.84 0.09 6.67 1.04 -1.26 -3.31 113.70 122.80 3gdc s SER 147 Ca 0.44 1.33 -0.31 0.00 0.48 0.00 0.00 55.95 57.89 3gdc s SER 147 Cb -0.30 -2.39 -0.08 0.00 0.10 0.00 0.00 66.02 63.35 3gdc s SER 147 CO 0.38 -0.16 1.46 -2.16 0.98 0.00 0.00 173.24 173.74 3gdc s PRO 148 N -2.77 4.28 0.37 4.02 0.04 -1.26 -5.04 135.00 134.64 3gdc s PRO 148 Ca 0.52 2.13 0.12 0.00 0.04 0.00 0.00 61.00 63.81 3gdc s PRO 148 Cb -0.12 -3.34 0.71 0.00 0.04 0.00 0.00 34.50 31.79 3gdc s PRO 148 CO 0.18 -0.53 1.83 1.25 0.04 0.00 0.00 177.00 179.77 3gdc h LEU 149 N 7.34 0.04 0.52 -3.56 5.85 -1.92 -3.14 115.31 120.44 3gdc h LEU 149 Ca -0.41 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.27 3gdc h LEU 149 Cb 1.20 -0.01 0.01 0.00 0.37 0.00 0.00 40.66 42.23 3gdc h LEU 149 CO 0.89 0.39 -0.25 0.00 -0.34 0.00 0.00 178.44 179.13 3gdc h ALA 150 N 1.61 -0.70 -0.97 1.25 0.00 -1.99 -2.69 119.26 115.78 3gdc h ALA 150 Ca 0.00 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.77 3gdc h ALA 150 Cb 0.64 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 3gdc h ALA 150 CO 0.05 -0.81 0.63 -1.35 0.00 0.00 0.00 179.25 177.77 3gdc h PRO 151 N -0.87 1.16 0.00 0.00 0.11 -1.94 0.20 132.00 130.66 3gdc h PRO 151 Ca -0.07 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.95 3gdc h PRO 151 Cb 0.60 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 31.45 3gdc h PRO 151 CO 0.12 0.77 -0.10 0.45 -0.21 0.00 0.00 178.00 179.02 3gdc h HIS 152 N 1.20 0.00 0.00 0.65 3.86 -1.49 0.15 115.15 119.52 3gdc h HIS 152 Ca 0.39 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 59.37 3gdc h HIS 152 Cb 0.05 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.48 3gdc h HIS 152 CO -0.00 0.10 -1.36 -0.89 0.86 0.00 0.00 177.93 176.64 3gdc n ILE 153 N -3.45 1.52 0.18 2.45 5.41 -1.02 -3.97 119.36 120.48 3gdc n ILE 153 Ca -0.01 -0.05 0.10 0.00 1.00 0.00 0.00 62.75 63.79 3gdc n ILE 153 Cb 0.26 -2.07 0.63 0.00 -0.71 0.00 0.00 39.64 37.75 3gdc n ILE 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3gdc h ALA 154 N -0.64 2.06 0.00 -1.39 0.00 -0.74 -2.07 119.26 116.48 3gdc h ALA 154 Ca -0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3gdc h ALA 154 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3gdc h ALA 154 CO -0.21 -0.09 0.00 0.87 0.00 0.00 0.00 179.25 179.81 3gdc h LYS 155 N 0.06 0.00 0.00 0.00 1.79 -0.93 -3.45 116.57 114.04 3gdc h LYS 155 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 3gdc h LYS 155 Cb 0.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 3gdc h LYS 155 CO -0.01 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.77 3gdc n GLY 156 N 0.14 -0.47 3.54 3.86 0.00 -0.78 -0.74 105.19 110.74 3gdc n GLY 156 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 3gdc n GLY 156 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gdc s LEU 157 N 0.00 4.19 0.11 0.99 1.43 -1.00 -4.52 118.68 119.88 3gdc s LEU 157 Ca 0.00 -2.56 -0.25 0.00 -1.03 0.00 0.00 54.13 50.29 3gdc s LEU 157 Cb 0.00 -2.53 0.08 0.00 0.03 0.00 0.00 46.19 43.77 3gdc s LEU 157 CO 0.00 -1.06 0.69 -0.72 0.23 0.00 0.00 176.35 175.49 3gdc s TYR 158 N 3.47 -0.48 0.12 0.29 -0.85 -1.26 -2.09 117.35 116.55 3gdc s TYR 158 Ca 0.50 0.30 -0.26 0.00 -0.52 0.00 0.00 57.07 57.09 3gdc s TYR 158 Cb 0.02 0.55 0.08 0.00 0.38 0.00 0.00 41.96 42.99 3gdc s TYR 158 CO 0.05 -0.76 1.05 0.20 -1.52 0.00 0.00 175.55 174.57 3gdc s GLY 159 N -2.66 -0.23 0.42 5.49 0.00 -0.65 0.34 107.32 110.02 3gdc s GLY 159 Ca 0.02 0.20 -0.17 0.00 0.00 0.00 0.00 44.72 44.77 3gdc s GLY 159 CO -0.12 0.33 0.87 -0.32 0.00 0.00 0.00 173.10 173.87 3gdc s GLY 160 N -3.01 2.23 -0.28 0.20 0.00 -1.24 -1.49 107.32 103.72 3gdc s GLY 160 Ca 0.14 0.16 -0.03 0.00 0.00 0.00 0.00 44.72 44.99 3gdc s GLY 160 CO 0.01 0.41 0.16 -0.12 0.00 0.00 0.00 173.10 173.56 3gdc s PHE 161 N -2.26 0.17 -0.16 1.90 5.36 -0.69 -1.19 117.98 121.12 3gdc s PHE 161 Ca 0.58 -0.72 -0.03 0.00 -0.96 0.00 0.00 56.93 55.79 3gdc s PHE 161 Cb -0.10 -0.81 -0.02 0.00 -0.34 0.00 0.00 43.02 41.75 3gdc s PHE 161 CO 0.21 -0.83 -0.06 0.96 -1.46 0.00 0.00 175.22 174.05 3gdc s ILE 162 N 2.15 3.68 -0.29 3.12 -5.25 0.33 0.56 121.20 125.50 3gdc s ILE 162 Ca 0.09 -0.43 -0.01 0.00 -0.99 0.00 0.00 60.65 59.31 3gdc s ILE 162 Cb -0.16 -2.61 0.05 0.00 2.95 0.00 0.00 42.46 42.70 3gdc s ILE 162 CO -0.35 0.49 -0.02 -0.69 -1.79 0.00 0.00 174.94 172.58 3gdc s VAL 163 N 0.46 2.81 0.21 8.37 1.01 0.33 -1.59 120.40 132.00 3gdc s VAL 163 Ca -0.05 -1.45 -0.30 0.00 0.00 0.00 0.00 61.98 60.19 3gdc s VAL 163 Cb -0.15 -2.62 -0.08 0.00 0.00 0.00 0.00 36.38 33.53 3gdc s VAL 163 CO 0.03 -0.09 1.14 -0.70 0.00 0.00 0.00 175.10 175.48 3gdc s GLU 164 N 1.22 4.57 0.54 2.72 2.56 -0.40 -0.67 118.70 129.22 3gdc s GLU 164 Ca -0.06 1.81 -0.22 0.00 0.00 0.00 0.00 54.97 56.50 3gdc s GLU 164 Cb -0.20 -3.23 -0.05 0.00 2.00 0.00 0.00 34.13 32.64 3gdc s GLU 164 CO -0.02 0.05 1.32 -0.35 -0.56 0.00 0.00 175.26 175.70 3gdc n PRO 165 N 2.02 1.67 -0.18 4.30 -0.04 -1.26 -0.01 135.00 141.50 3gdc n PRO 165 Ca 0.02 0.61 -0.01 0.00 -0.04 0.00 0.00 63.50 64.08 3gdc n PRO 165 Cb 0.45 -2.52 0.07 0.00 -0.04 0.00 0.00 33.50 31.46 3gdc n PRO 165 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3gdc h LYS 166 N 1.45 0.07 0.00 0.54 3.64 -1.94 0.43 116.57 120.75 3gdc h LYS 166 Ca -0.50 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 3gdc h LYS 166 Cb 1.31 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 3gdc h LYS 166 CO 0.57 0.04 0.00 -1.91 -2.27 0.00 0.00 179.45 175.88 3gdc n GLU 167 N -5.31 0.30 0.00 1.90 2.13 -1.26 -4.95 120.64 113.45 3gdc n GLU 167 Ca 0.07 0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.93 3gdc n GLU 167 Cb 0.31 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.52 3gdc n GLU 167 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gdc n GLY 168 N 0.98 -1.70 3.93 8.31 0.00 0.15 -4.99 105.19 111.88 3gdc n GLY 168 Ca 0.11 -1.54 -0.25 0.00 0.00 0.00 0.00 46.02 44.34 3gdc n GLY 168 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gdc s ARG 169 N -2.66 3.51 0.23 1.61 0.52 -1.26 -4.83 118.95 116.07 3gdc s ARG 169 Ca 0.00 -0.19 -0.30 0.00 -0.52 0.00 0.00 55.73 54.72 3gdc s ARG 169 Cb 0.00 -2.60 -0.15 0.00 0.52 0.00 0.00 34.95 32.72 3gdc s ARG 169 CO 0.00 0.07 0.98 -2.30 0.02 0.00 0.00 175.30 174.07 3gdc n PRO 170 N -1.84 1.05 -2.25 3.54 -0.02 -1.26 -4.85 135.00 129.37 3gdc n PRO 170 Ca -0.03 0.37 -0.41 0.00 -2.02 0.00 0.00 63.50 61.41 3gdc n PRO 170 Cb 0.56 -1.73 -0.03 0.00 -0.02 0.00 0.00 33.50 32.28 3gdc n PRO 170 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3gdc s PRO 171 N -1.06 4.45 0.04 0.52 0.04 -1.26 -5.03 135.00 132.70 3gdc s PRO 171 Ca 0.65 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.75 3gdc s PRO 171 Cb -0.80 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 30.57 3gdc s PRO 171 CO 0.57 -0.07 0.10 0.00 0.04 0.00 0.00 177.00 177.64 3gdc s ALA 172 N -0.90 3.66 0.13 8.56 0.00 -1.26 -4.99 121.76 126.95 3gdc s ALA 172 Ca 0.49 -0.92 -0.00 0.00 0.00 0.00 0.00 51.96 51.53 3gdc s ALA 172 Cb -0.37 -1.57 -0.13 0.00 0.00 0.00 0.00 23.12 21.05 3gdc s ALA 172 CO 0.46 0.74 1.28 -0.44 0.00 0.00 0.00 175.76 177.80 3gdc h ASP 173 N 3.61 0.32 -2.39 0.00 3.32 -1.57 -3.43 116.42 116.27 3gdc h ASP 173 Ca -0.47 -0.29 -0.36 0.00 0.02 0.00 0.00 57.03 55.92 3gdc h ASP 173 Cb 1.17 -0.10 -0.35 0.00 0.22 0.00 0.00 39.33 40.27 3gdc h ASP 173 CO 0.66 1.15 -0.66 -0.62 -1.72 0.00 0.00 179.24 178.05 3gdc s ASP 174 N -6.99 1.89 -0.16 6.45 -1.08 -0.75 -5.00 116.67 111.03 3gdc s ASP 174 Ca -0.03 -0.65 -0.07 0.00 -0.52 0.00 0.00 52.55 51.28 3gdc s ASP 174 Cb 0.09 0.32 -0.04 0.00 -1.46 0.00 0.00 42.92 41.82 3gdc s ASP 174 CO 0.85 -0.38 0.07 -0.70 0.52 0.00 0.00 175.17 175.54 3gdc s GLU 175 N 2.30 3.75 0.13 4.34 2.12 -1.26 -0.99 118.70 129.10 3gdc s GLU 175 Ca 0.08 -0.30 -0.05 0.00 0.36 0.00 0.00 54.97 55.06 3gdc s GLU 175 Cb -0.15 -3.16 -0.02 0.00 0.26 0.00 0.00 34.13 31.05 3gdc s GLU 175 CO -0.26 0.43 0.16 0.00 -0.54 0.00 0.00 175.26 175.05 3gdc s MET 176 N -0.07 0.98 -0.03 4.30 0.23 0.63 -4.73 119.30 120.60 3gdc s MET 176 Ca 0.07 -1.25 0.07 0.00 -1.03 0.00 0.00 55.69 53.54 3gdc s MET 176 Cb -0.12 0.31 -0.01 0.00 -1.53 0.00 0.00 34.83 33.47 3gdc s MET 176 CO 0.01 -0.31 -0.23 0.54 -2.03 0.00 0.00 175.02 173.00 3gdc s VAL 177 N -3.98 1.84 -0.17 5.16 0.11 0.47 -0.78 120.40 123.05 3gdc s VAL 177 Ca 0.17 -0.98 -0.02 0.00 -2.93 0.00 0.00 61.98 58.22 3gdc s VAL 177 Cb 0.06 -1.54 0.05 0.00 -1.53 0.00 0.00 36.38 33.42 3gdc s VAL 177 CO -0.02 0.52 0.02 -0.04 -3.33 0.00 0.00 175.10 172.25 3gdc s MET 178 N -0.40 0.77 -0.28 1.54 -1.94 0.45 -4.42 119.30 115.03 3gdc s MET 178 Ca 0.05 -0.36 -0.08 0.00 -1.71 0.00 0.00 55.69 53.59 3gdc s MET 178 Cb -0.10 -1.91 -0.02 0.00 2.01 0.00 0.00 34.83 34.81 3gdc s MET 178 CO 0.00 -0.55 0.10 0.08 -0.01 0.00 0.00 175.02 174.64 3gdc s VAL 179 N 1.84 4.41 -0.15 -6.03 1.01 -1.26 -0.64 120.40 119.57 3gdc s VAL 179 Ca 0.00 -0.30 -0.18 0.00 0.00 0.00 0.00 61.98 61.50 3gdc s VAL 179 Cb -0.16 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 3gdc s VAL 179 CO -0.07 0.22 0.50 -0.04 0.00 0.00 0.00 175.10 175.71 3gdc s MET 180 N 1.61 4.27 0.26 2.72 -1.94 0.29 -0.79 119.30 125.72 3gdc s MET 180 Ca 0.05 0.44 0.05 0.00 -1.71 0.00 0.00 55.69 54.53 3gdc s MET 180 Cb -0.16 -3.49 -0.02 0.00 2.01 0.00 0.00 34.83 33.17 3gdc s MET 180 CO 0.05 0.01 0.17 0.27 -0.01 0.00 0.00 175.02 175.51 3gdc n ASN 181 N 4.19 0.01 -4.09 3.03 0.23 -0.70 -1.56 115.26 116.38 3gdc n ASN 181 Ca -0.06 -2.58 -0.08 0.00 -0.53 0.00 0.00 54.58 51.34 3gdc n ASN 181 Cb 0.51 1.06 -0.10 0.00 -2.08 0.00 0.00 39.78 39.17 3gdc n ASN 181 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 3gdc s GLY 182 N -2.72 0.60 -0.16 4.83 0.00 -1.26 -2.28 107.32 106.32 3gdc s GLY 182 Ca 0.24 -1.23 0.01 0.00 0.00 0.00 0.00 44.72 43.74 3gdc s GLY 182 CO 0.17 -1.28 -0.17 -0.19 0.00 0.00 0.00 173.10 171.64 3gdc s TYR 183 N -3.96 2.41 -0.66 1.90 2.02 0.33 -4.90 117.35 114.50 3gdc s TYR 183 Ca 0.12 -1.38 -0.17 0.00 -0.37 0.00 0.00 57.07 55.27 3gdc s TYR 183 Cb 0.07 -1.72 0.14 0.00 -0.40 0.00 0.00 41.96 40.05 3gdc s TYR 183 CO -0.06 -0.72 0.69 1.21 -1.57 0.00 0.00 175.55 175.10 3gdc s ASN 184 N 1.38 6.36 -0.09 2.29 3.84 -1.26 -0.34 114.94 127.11 3gdc s ASN 184 Ca 0.04 -1.88 0.06 0.00 0.21 0.00 0.00 52.86 51.29 3gdc s ASN 184 Cb -0.13 -2.26 -0.24 0.00 -0.55 0.00 0.00 41.25 38.07 3gdc s ASN 184 CO -0.11 -0.91 0.46 0.35 -2.79 0.00 0.00 177.10 174.10 3gdc n THR 185 N 5.09 1.64 -0.85 -5.21 -2.24 -1.26 -4.34 114.28 107.11 3gdc n THR 185 Ca -0.03 -0.75 0.08 0.00 -2.27 0.00 0.00 64.05 61.09 3gdc n THR 185 Cb 0.43 -1.22 0.34 0.00 -2.10 0.00 0.00 70.33 67.78 3gdc n THR 185 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3gdc n ASP 186 N -3.17 4.83 -0.18 3.42 5.68 -1.26 -5.05 116.55 120.82 3gdc n ASP 186 Ca -0.25 -2.83 0.00 0.00 -0.50 0.00 0.00 54.79 51.21 3gdc n ASP 186 Cb 1.06 -0.60 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 3gdc n ASP 186 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gdc n GLY 187 N 0.34 -0.65 7.00 6.12 0.00 -1.26 -5.04 105.19 111.70 3gdc n GLY 187 Ca 0.25 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 45.16 3gdc n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gdc n GLY 188 N 0.00 -1.05 1.48 -0.02 0.00 -1.26 -4.33 105.19 100.02 3gdc n GLY 188 Ca 0.00 -1.21 -0.12 0.00 0.00 0.00 0.00 46.02 44.69 3gdc n GLY 188 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gdc n ASP 189 N -0.68 3.63 -4.17 1.61 8.00 -1.26 -5.01 116.55 118.69 3gdc n ASP 189 Ca 0.00 -3.80 -0.13 0.00 0.71 0.00 0.00 54.79 51.57 3gdc n ASP 189 Cb 0.00 -0.59 -0.11 0.00 -0.02 0.00 0.00 41.12 40.40 3gdc n ASP 189 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 3gdc s ASP 190 N -2.79 1.34 0.09 -2.24 -4.77 -1.26 -4.83 116.67 102.19 3gdc s ASP 190 Ca 0.48 -0.83 -0.08 0.00 -3.30 0.00 0.00 52.55 48.82 3gdc s ASP 190 Cb 0.42 0.03 -0.06 0.00 -1.09 0.00 0.00 42.92 42.22 3gdc s ASP 190 CO 0.00 -0.30 0.38 0.20 0.70 0.00 0.00 175.17 176.15 3gdc s ASN 191 N -2.51 6.58 -0.13 2.11 0.02 -1.26 -4.55 114.94 115.21 3gdc s ASN 191 Ca 0.06 0.71 0.13 0.00 -1.02 0.00 0.00 52.86 52.74 3gdc s ASN 191 Cb -0.02 -2.15 -0.18 0.00 0.02 0.00 0.00 41.25 38.93 3gdc s ASN 191 CO -0.01 0.15 0.08 -0.62 0.02 0.00 0.00 177.10 176.72 3gdc n GLU 192 N 0.72 1.57 -4.17 -0.60 4.71 0.54 -4.97 120.64 118.44 3gdc n GLU 192 Ca -0.07 -0.02 -0.10 0.00 -0.01 0.00 0.00 57.16 56.96 3gdc n GLU 192 Cb 0.52 -1.36 -0.10 0.00 -1.01 0.00 0.00 31.44 29.49 3gdc n GLU 192 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 3gdc s PHE 193 N -2.42 0.88 0.04 -0.32 0.08 -1.02 -4.92 117.98 110.30 3gdc s PHE 193 Ca -0.07 -1.05 -0.03 0.00 0.12 0.00 0.00 56.93 55.91 3gdc s PHE 193 Cb 0.05 -0.53 -0.02 0.00 -0.57 0.00 0.00 43.02 41.95 3gdc s PHE 193 CO 0.58 -0.30 0.02 0.71 -0.10 0.00 0.00 175.22 176.14 3gdc s TYR 194 N -3.79 0.31 0.23 0.36 2.02 -0.62 -0.51 117.35 115.34 3gdc s TYR 194 Ca 0.17 -0.67 -0.18 0.00 -0.37 0.00 0.00 57.07 56.02 3gdc s TYR 194 Cb 0.07 -0.22 0.02 0.00 -0.40 0.00 0.00 41.96 41.42 3gdc s TYR 194 CO -0.02 -0.32 0.57 -1.54 -1.57 0.00 0.00 175.55 172.67 3gdc s SER 195 N -2.15 -0.25 -0.19 2.29 1.04 -0.97 -3.20 113.70 110.28 3gdc s SER 195 Ca -0.05 -0.57 -0.04 0.00 0.48 0.00 0.00 55.95 55.77 3gdc s SER 195 Cb -0.01 0.62 -0.02 0.00 0.10 0.00 0.00 66.02 66.71 3gdc s SER 195 CO -0.05 -1.14 -0.03 0.68 0.98 0.00 0.00 173.24 173.67 3gdc s VAL 196 N -3.91 3.69 -1.55 5.02 -7.23 -1.26 -1.72 120.40 113.44 3gdc s VAL 196 Ca 0.12 -0.41 0.00 0.00 -1.81 0.00 0.00 61.98 59.88 3gdc s VAL 196 Cb -0.02 -2.65 0.00 0.00 0.56 0.00 0.00 36.38 34.27 3gdc s VAL 196 CO 0.01 0.45 0.00 0.59 -0.31 0.00 0.00 175.10 175.84 3gdc n ASN 197 N 4.18 -4.83 0.00 4.85 3.02 0.03 -4.21 115.26 118.30 3gdc n ASN 197 Ca -0.18 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 3gdc n ASN 197 Cb 0.52 -3.80 0.00 0.00 -0.61 0.00 0.00 39.78 35.88 3gdc n ASN 197 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gdc n GLY 198 N -1.03 1.51 3.08 7.41 0.00 -1.26 -4.09 105.19 110.81 3gdc n GLY 198 Ca -0.17 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 3gdc n GLY 198 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gdc s LEU 199 N 0.00 2.46 0.12 0.99 1.02 -1.26 -4.94 118.68 117.08 3gdc s LEU 199 Ca 0.00 -0.86 -0.35 0.00 0.02 0.00 0.00 54.13 52.93 3gdc s LEU 199 Cb 0.00 -1.45 -0.16 0.00 0.02 0.00 0.00 46.19 44.61 3gdc s LEU 199 CO 0.00 -0.07 1.41 -2.65 0.02 0.00 0.00 176.35 175.06 3gdc n PRO 200 N 4.59 1.53 -0.84 1.29 -0.02 -1.26 -2.21 135.00 138.07 3gdc n PRO 200 Ca -0.18 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 3gdc n PRO 200 Cb 0.47 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 3gdc n PRO 200 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3gdc n PHE 201 N 2.73 0.00 -0.20 6.00 3.72 -0.33 -1.14 117.46 128.24 3gdc n PHE 201 Ca 0.17 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.58 3gdc n PHE 201 Cb 0.23 -1.12 0.09 0.00 -0.94 0.00 0.00 39.48 37.74 3gdc n PHE 201 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3gdc h HIS 202 N 0.00 -0.08 0.00 1.38 -0.00 -1.70 -1.40 115.15 113.35 3gdc h HIS 202 Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.42 3gdc h HIS 202 Cb 0.32 0.13 0.00 0.00 -0.00 0.00 0.00 27.41 27.86 3gdc h HIS 202 CO 0.20 -0.18 0.00 1.19 -0.00 0.00 0.00 177.93 179.14 3gdc n PHE 203 N -5.30 0.00 -0.03 5.26 3.72 -1.26 -0.77 117.46 119.07 3gdc n PHE 203 Ca 0.09 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.33 3gdc n PHE 203 Cb 0.35 -0.07 -0.08 0.00 -0.94 0.00 0.00 39.48 38.74 3gdc n PHE 203 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 3gdc h MET 204 N 0.00 0.56 0.00 -1.08 2.86 -1.39 -0.48 114.93 115.40 3gdc h MET 204 Ca 0.00 -0.43 -0.24 0.00 -2.06 0.00 0.00 59.70 56.97 3gdc h MET 204 Cb 0.07 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.77 3gdc h MET 204 CO 0.00 1.06 -1.49 -0.44 1.06 0.00 0.00 176.91 177.10 3gdc h ASP 205 N 0.18 0.00 -2.81 1.22 3.32 -1.41 -3.41 116.42 113.51 3gdc h ASP 205 Ca -0.03 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.42 3gdc h ASP 205 Cb 1.13 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.28 3gdc h ASP 205 CO 0.10 0.86 -0.74 -0.36 -1.72 0.00 0.00 179.24 177.39 3gdc s PHE 206 N -2.72 2.52 0.52 4.55 0.08 0.05 -5.12 117.98 117.87 3gdc s PHE 206 Ca -0.03 -2.91 -0.22 0.00 0.12 0.00 0.00 56.93 53.89 3gdc s PHE 206 Cb 0.08 -1.96 -0.06 0.00 -0.57 0.00 0.00 43.02 40.51 3gdc s PHE 206 CO 0.82 -0.67 1.20 -2.30 -0.10 0.00 0.00 175.22 174.17 3gdc n PRO 207 N 2.36 1.48 -1.93 0.24 -0.02 -1.21 -4.31 135.00 131.62 3gdc n PRO 207 Ca 0.24 0.54 -0.42 0.00 -2.02 0.00 0.00 63.50 61.83 3gdc n PRO 207 Cb 0.40 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.49 3gdc n PRO 207 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3gdc s VAL 208 N -1.33 3.44 -0.29 -1.45 1.01 0.04 -4.68 120.40 117.14 3gdc s VAL 208 Ca 0.70 0.51 -0.22 0.00 0.00 0.00 0.00 61.98 62.97 3gdc s VAL 208 Cb -0.45 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 3gdc s VAL 208 CO 0.51 -0.12 0.71 -0.54 0.00 0.00 0.00 175.10 175.66 3gdc s LYS 209 N 4.60 3.99 0.22 2.72 1.02 -1.26 0.07 119.74 131.11 3gdc s LYS 209 Ca 0.79 0.52 0.03 0.00 0.02 0.00 0.00 55.97 57.33 3gdc s LYS 209 Cb -0.32 -3.70 -0.05 0.00 -0.52 0.00 0.00 37.83 33.23 3gdc s LYS 209 CO 0.32 -0.57 0.00 0.14 -0.92 0.00 0.00 175.35 174.32 3gdc s VAL 210 N 2.74 0.93 -0.08 3.17 -7.23 -0.71 -4.97 120.40 114.25 3gdc s VAL 210 Ca 0.29 -2.02 -0.00 0.00 -1.81 0.00 0.00 61.98 58.44 3gdc s VAL 210 Cb -0.15 -2.31 -0.03 0.00 0.56 0.00 0.00 36.38 34.46 3gdc s VAL 210 CO 0.11 -0.34 -0.05 -0.75 -0.31 0.00 0.00 175.10 173.75 3gdc s LYS 211 N -3.88 2.91 0.22 4.82 2.20 -1.26 -1.16 119.74 123.58 3gdc s LYS 211 Ca 0.28 -0.52 -0.32 0.00 -0.36 0.00 0.00 55.97 55.05 3gdc s LYS 211 Cb 0.06 -2.66 -0.14 0.00 -1.51 0.00 0.00 37.83 33.57 3gdc s LYS 211 CO 0.08 0.61 1.28 0.94 -0.36 0.00 0.00 175.35 177.90 3gdc n GLN 212 N 2.38 1.63 0.00 4.03 7.27 -0.13 -2.25 117.38 130.31 3gdc n GLN 212 Ca -0.18 0.58 0.00 0.00 0.07 0.00 0.00 57.00 57.47 3gdc n GLN 212 Cb 0.53 -2.15 0.00 0.00 2.41 0.00 0.00 30.24 31.03 3gdc n GLN 212 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 3gdc n HIS 213 N 1.60 0.00 -2.19 3.69 8.25 0.82 -4.96 115.22 122.44 3gdc n HIS 213 Ca 0.13 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.20 3gdc n HIS 213 Cb 0.29 -0.19 -0.01 0.00 1.12 0.00 0.00 29.99 31.19 3gdc n HIS 213 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3gdc s GLU 214 N 0.00 4.05 -0.31 -0.41 2.02 -0.96 -4.79 118.70 118.31 3gdc s GLU 214 Ca 0.00 1.99 -0.29 0.00 0.02 0.00 0.00 54.97 56.69 3gdc s GLU 214 Cb 0.00 -2.75 -0.01 0.00 0.10 0.00 0.00 34.13 31.48 3gdc s GLU 214 CO 0.00 -0.37 1.49 -1.17 0.02 0.00 0.00 175.26 175.23 3gdc s LEU 215 N -2.40 3.76 -0.21 1.80 2.96 -1.26 -4.24 118.68 119.09 3gdc s LEU 215 Ca 0.56 1.24 -0.09 0.00 -0.22 0.00 0.00 54.13 55.62 3gdc s LEU 215 Cb -0.34 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.76 3gdc s LEU 215 CO 0.44 -1.30 0.12 -0.69 -1.32 0.00 0.00 176.35 173.59 3gdc s VAL 216 N 5.21 5.20 -0.19 1.68 1.01 0.36 -1.30 120.40 132.38 3gdc s VAL 216 Ca 0.65 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.75 3gdc s VAL 216 Cb -0.19 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 32.82 3gdc s VAL 216 CO 0.29 0.41 -0.18 -0.60 0.00 0.00 0.00 175.10 175.02 3gdc s ARG 217 N 0.62 3.05 -0.16 2.72 3.52 -0.16 -1.83 118.95 126.70 3gdc s ARG 217 Ca 0.07 -0.80 0.00 0.00 -0.13 0.00 0.00 55.73 54.87 3gdc s ARG 217 Cb -0.12 -2.63 0.00 0.00 -1.56 0.00 0.00 34.95 30.64 3gdc s ARG 217 CO 0.01 -0.21 -0.17 0.42 -0.81 0.00 0.00 175.30 174.54 3gdc s ILE 218 N 1.31 2.48 -0.53 4.11 1.01 0.30 -0.27 121.20 129.61 3gdc s ILE 218 Ca 0.05 -0.82 -0.22 0.00 0.00 0.00 0.00 60.65 59.66 3gdc s ILE 218 Cb -0.13 -2.04 0.05 0.00 0.01 0.00 0.00 42.46 40.34 3gdc s ILE 218 CO -0.11 0.52 0.79 -1.00 0.00 0.00 0.00 174.94 175.13 3gdc s HIS 219 N 0.97 2.91 -0.28 3.97 3.76 0.04 -0.65 115.29 126.01 3gdc s HIS 219 Ca -0.02 -0.30 -0.09 0.00 -0.15 0.00 0.00 55.06 54.50 3gdc s HIS 219 Cb -0.15 -3.83 -0.03 0.00 1.11 0.00 0.00 32.58 29.69 3gdc s HIS 219 CO -0.03 -1.21 0.13 -1.17 -0.85 0.00 0.00 174.74 171.61 3gdc s LEU 220 N 3.31 3.84 -0.11 0.89 2.96 0.10 -0.41 118.68 129.26 3gdc s LEU 220 Ca 0.23 -0.26 0.03 0.00 -0.22 0.00 0.00 54.13 53.90 3gdc s LEU 220 Cb -0.16 -2.01 0.01 0.00 0.50 0.00 0.00 46.19 44.53 3gdc s LEU 220 CO 0.15 -0.10 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.25 3gdc s ILE 221 N 1.66 1.88 -0.35 6.68 1.01 0.19 -1.28 121.20 130.99 3gdc s ILE 221 Ca 0.06 -0.89 -0.14 0.00 0.00 0.00 0.00 60.65 59.68 3gdc s ILE 221 Cb -0.16 -1.66 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 3gdc s ILE 221 CO 0.07 0.52 0.30 0.21 0.00 0.00 0.00 174.94 176.03 3gdc s ASN 222 N 0.67 6.12 0.00 3.58 2.47 -0.83 -0.55 114.94 126.40 3gdc s ASN 222 Ca -0.12 -0.37 0.11 0.00 0.42 0.00 0.00 52.86 52.90 3gdc s ASN 222 Cb -0.16 -2.17 0.23 0.00 -1.45 0.00 0.00 41.25 37.70 3gdc s ASN 222 CO 0.02 -0.30 1.12 1.33 -3.72 0.00 0.00 177.10 175.55 3gdc n VAL 223 N 5.17 0.64 -1.68 -5.21 0.24 -0.60 -1.11 118.33 115.79 3gdc n VAL 223 Ca -0.11 -0.82 -0.45 0.00 -2.04 0.00 0.00 64.34 60.91 3gdc n VAL 223 Cb 0.49 0.76 -0.04 0.00 -1.47 0.00 0.00 33.84 33.59 3gdc n VAL 223 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 3gdc n LEU 224 N 0.57 3.49 -4.96 1.34 7.94 -1.17 -4.85 117.00 119.37 3gdc n LEU 224 Ca 0.10 1.02 -0.22 0.00 -1.11 0.00 0.00 56.01 55.80 3gdc n LEU 224 Cb 0.38 -1.45 -0.01 0.00 0.53 0.00 0.00 43.42 42.87 3gdc n LEU 224 CO 0.08 -0.08 0.13 -0.70 -1.11 0.00 0.00 177.39 175.71 3gdc s GLU 225 N 2.33 3.30 0.00 1.96 2.56 -1.26 -4.52 118.70 123.06 3gdc s GLU 225 Ca 0.83 -0.61 0.00 0.00 0.00 0.00 0.00 54.97 55.19 3gdc s GLU 225 Cb -0.62 -2.72 0.00 0.00 2.00 0.00 0.00 34.13 32.79 3gdc s GLU 225 CO 0.41 0.09 0.00 0.66 -0.56 0.00 0.00 175.26 175.87 3gdc n TYR 226 N -1.74 0.00 -2.48 5.30 4.01 -1.26 -4.88 117.16 116.11 3gdc n TYR 226 Ca -0.03 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.29 3gdc n TYR 226 Cb 0.57 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.57 3gdc n TYR 226 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3gdc s ASP 227 N 0.00 7.19 0.48 7.72 1.01 -1.26 -4.96 116.67 126.85 3gdc s ASP 227 Ca 0.00 2.07 0.27 0.00 0.71 0.00 0.00 52.55 55.60 3gdc s ASP 227 Cb 0.00 -2.60 0.90 0.00 1.01 0.00 0.00 42.92 42.24 3gdc s ASP 227 CO 0.00 -0.32 1.81 1.55 0.21 0.00 0.00 175.17 178.43 3gdc h PRO 228 N 5.68 0.00 -2.76 8.23 0.13 -1.91 -3.46 132.00 137.92 3gdc h PRO 228 Ca -0.43 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.59 3gdc h PRO 228 Cb 1.21 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.13 3gdc h PRO 228 CO 0.75 0.09 -0.18 -1.50 -0.23 0.00 0.00 178.00 176.93 3gdc s ILE 229 N -3.49 0.03 0.32 -3.56 2.07 -1.26 -4.14 121.20 111.17 3gdc s ILE 229 Ca 0.03 -0.24 0.06 0.00 -1.41 0.00 0.00 60.65 59.09 3gdc s ILE 229 Cb 0.08 -0.67 -0.06 0.00 0.13 0.00 0.00 42.46 41.94 3gdc s ILE 229 CO 0.61 -0.13 -0.02 0.21 -1.91 0.00 0.00 174.94 173.69 3gdc s ASN 230 N -0.78 2.98 0.22 4.50 3.84 -0.13 -4.99 114.94 120.58 3gdc s ASN 230 Ca -0.09 -1.26 -0.08 0.00 0.21 0.00 0.00 52.86 51.64 3gdc s ASN 230 Cb -0.04 -0.21 -0.02 0.00 -0.55 0.00 0.00 41.25 40.43 3gdc s ASN 230 CO 0.04 -0.40 0.32 -0.94 -2.79 0.00 0.00 177.10 173.33 3gdc s SER 231 N -3.52 0.02 -0.11 -4.21 1.04 -1.26 -1.41 113.70 104.25 3gdc s SER 231 Ca 0.32 -1.11 -0.04 0.00 0.48 0.00 0.00 55.95 55.60 3gdc s SER 231 Cb 0.06 0.49 0.05 0.00 0.10 0.00 0.00 66.02 66.72 3gdc s SER 231 CO 0.14 -1.00 0.23 0.12 0.98 0.00 0.00 173.24 173.71 3gdc s PHE 232 N -4.07 -0.32 -0.01 5.02 5.36 -0.53 -3.92 117.98 119.50 3gdc s PHE 232 Ca 0.29 0.79 0.02 0.00 -0.96 0.00 0.00 56.93 57.08 3gdc s PHE 232 Cb 0.03 -0.05 -0.00 0.00 -0.34 0.00 0.00 43.02 42.65 3gdc s PHE 232 CO 0.10 -0.28 -0.08 -1.58 -1.46 0.00 0.00 175.22 171.92 3gdc s HIS 233 N 1.86 0.79 -0.12 10.12 5.65 0.40 -1.53 115.29 132.46 3gdc s HIS 233 Ca -0.03 -0.16 0.03 0.00 0.25 0.00 0.00 55.06 55.14 3gdc s HIS 233 Cb -0.11 -0.53 -0.00 0.00 -1.18 0.00 0.00 32.58 30.75 3gdc s HIS 233 CO -0.08 -0.04 -0.21 -1.50 -0.65 0.00 0.00 174.74 172.26 3gdc s ILE 234 N -0.04 2.30 0.31 0.89 1.10 -1.00 -1.41 121.20 123.35 3gdc s ILE 234 Ca 0.01 -0.93 -0.29 0.00 -0.51 0.00 0.00 60.65 58.93 3gdc s ILE 234 Cb -0.05 -1.91 -0.10 0.00 0.15 0.00 0.00 42.46 40.55 3gdc s ILE 234 CO -0.00 0.55 1.35 -1.00 -2.11 0.00 0.00 174.94 173.73 3gdc s HIS 235 N 0.46 3.01 0.00 3.50 3.76 0.13 -3.66 115.29 122.49 3gdc s HIS 235 Ca -0.14 1.29 0.00 0.00 -0.15 0.00 0.00 55.06 56.06 3gdc s HIS 235 Cb -0.17 -3.74 0.00 0.00 1.11 0.00 0.00 32.58 29.78 3gdc s HIS 235 CO 0.06 -2.15 0.00 0.41 -0.85 0.00 0.00 174.74 172.21 3gdc n GLY 236 N 1.19 0.23 3.09 -2.22 0.00 -1.26 -4.75 105.19 101.47 3gdc n GLY 236 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 3gdc n GLY 236 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gdc s ASN 237 N -2.08 0.30 0.07 1.61 -0.87 -1.24 -4.98 114.94 107.74 3gdc s ASN 237 Ca 0.00 -0.72 0.06 0.00 -1.57 0.00 0.00 52.86 50.63 3gdc s ASN 237 Cb 0.00 0.20 -0.03 0.00 -0.02 0.00 0.00 41.25 41.40 3gdc s ASN 237 CO 0.00 -0.52 -0.16 -0.36 -2.57 0.00 0.00 177.10 173.48 3gdc s PHE 238 N -3.01 1.40 0.09 2.20 0.40 -1.26 -4.45 117.98 113.35 3gdc s PHE 238 Ca -0.02 -0.41 0.04 0.00 -0.60 0.00 0.00 56.93 55.95 3gdc s PHE 238 Cb 0.01 -0.80 -0.03 0.00 0.51 0.00 0.00 43.02 42.71 3gdc s PHE 238 CO -0.07 0.09 -0.12 -0.59 0.70 0.00 0.00 175.22 175.23 3gdc s PHE 239 N -1.09 1.15 0.09 0.36 -0.12 0.60 -4.67 117.98 114.30 3gdc s PHE 239 Ca 0.02 -0.57 -0.25 0.00 -0.05 0.00 0.00 56.93 56.08 3gdc s PHE 239 Cb -0.09 -0.63 -0.06 0.00 -0.63 0.00 0.00 43.02 41.60 3gdc s PHE 239 CO 0.02 0.04 0.76 -1.01 -0.05 0.00 0.00 175.22 174.99 3gdc s HIS 240 N -1.98 3.81 -0.08 3.49 3.76 -0.32 -1.08 115.29 122.88 3gdc s HIS 240 Ca 0.03 1.53 0.03 0.00 -0.15 0.00 0.00 55.06 56.50 3gdc s HIS 240 Cb -0.06 -2.79 -0.02 0.00 1.11 0.00 0.00 32.58 30.83 3gdc s HIS 240 CO 0.01 0.38 -0.16 -0.47 -0.85 0.00 0.00 174.74 173.65 3gdc s TYR 241 N -0.53 2.68 -0.42 1.40 5.04 -0.27 -0.96 117.35 124.30 3gdc s TYR 241 Ca 0.37 -0.46 0.03 0.00 -2.44 0.00 0.00 57.07 54.57 3gdc s TYR 241 Cb -0.21 -1.70 0.12 0.00 0.35 0.00 0.00 41.96 40.51 3gdc s TYR 241 CO 0.24 -0.05 0.16 0.71 -1.34 0.00 0.00 175.55 175.27 3gdc s TYR 242 N -0.21 3.13 0.04 4.97 2.02 0.63 -1.16 117.35 126.76 3gdc s TYR 242 Ca -0.00 -2.87 -0.34 0.00 -0.37 0.00 0.00 57.07 53.48 3gdc s TYR 242 Cb -0.13 -2.64 -0.13 0.00 -0.40 0.00 0.00 41.96 38.65 3gdc s TYR 242 CO 0.03 -0.84 1.69 -2.30 -1.57 0.00 0.00 175.55 172.55 3gdc n PRO 243 N 3.80 2.04 -0.63 -1.71 -0.02 -1.26 -0.93 135.00 136.29 3gdc n PRO 243 Ca 0.04 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3gdc n PRO 243 Cb 0.37 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 3gdc n PRO 243 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3gdc n THR 244 N 4.08 0.00 -1.72 3.45 -1.04 0.97 -3.24 114.28 116.77 3gdc n THR 244 Ca 0.20 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 62.03 3gdc n THR 244 Cb 0.28 -0.50 -0.06 0.00 -1.82 0.00 0.00 70.33 68.22 3gdc n THR 244 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gdc n GLY 245 N -1.63 1.14 0.02 3.41 0.00 -0.11 -0.42 105.19 107.60 3gdc n GLY 245 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3gdc n GLY 245 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gdc n THR 246 N -2.54 0.09 -4.41 2.61 -2.24 -1.20 -3.99 114.28 102.60 3gdc n THR 246 Ca -0.18 -0.09 -0.27 0.00 -2.27 0.00 0.00 64.05 61.23 3gdc n THR 246 Cb 0.59 0.29 -0.12 0.00 -2.10 0.00 0.00 70.33 68.99 3gdc n THR 246 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3gdc s MET 247 N -3.07 1.52 0.03 -0.78 -1.94 -1.26 -4.95 119.30 108.84 3gdc s MET 247 Ca 0.08 -1.47 0.24 0.00 -1.71 0.00 0.00 55.69 52.83 3gdc s MET 247 Cb 0.16 -1.87 0.27 0.00 2.01 0.00 0.00 34.83 35.40 3gdc s MET 247 CO 0.75 0.41 1.24 1.28 -0.01 0.00 0.00 175.02 178.69 3gdc n LEU 248 N 0.41 0.62 -4.69 -0.03 4.77 -1.26 -4.81 117.00 112.01 3gdc n LEU 248 Ca -0.14 -0.05 -0.34 0.00 -0.03 0.00 0.00 56.01 55.46 3gdc n LEU 248 Cb 0.55 -0.17 -0.09 0.00 -2.33 0.00 0.00 43.42 41.38 3gdc n LEU 248 CO 0.28 0.10 -0.31 0.42 -1.33 0.00 0.00 177.39 176.55 3gdc s THR 249 N -3.07 4.27 0.53 -5.08 -4.23 -1.26 -5.11 115.64 101.68 3gdc s THR 249 Ca 0.08 -0.41 -0.17 0.00 -1.18 0.00 0.00 61.69 60.02 3gdc s THR 249 Cb 0.16 -2.85 -0.07 0.00 1.34 0.00 0.00 72.50 71.08 3gdc s THR 249 CO 0.75 0.49 1.00 -2.16 -0.54 0.00 0.00 174.62 174.16 3gdc s PRO 250 N -1.22 3.82 -0.03 3.99 0.04 -1.26 -4.93 135.00 135.40 3gdc s PRO 250 Ca 0.17 1.04 0.16 0.00 0.04 0.00 0.00 61.00 62.41 3gdc s PRO 250 Cb -0.11 -2.11 -0.20 0.00 0.04 0.00 0.00 34.50 32.11 3gdc s PRO 250 CO 0.06 -0.38 0.60 -1.13 0.04 0.00 0.00 177.00 176.19 3gdc n SER 251 N -1.60 0.64 -3.95 6.66 3.41 -0.30 -4.98 113.62 113.49 3gdc n SER 251 Ca 0.07 0.29 -0.09 0.00 -0.26 0.00 0.00 58.87 58.88 3gdc n SER 251 Cb 0.54 0.38 -0.09 0.00 -0.26 0.00 0.00 64.21 64.77 3gdc n SER 251 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3gdc s GLU 252 N -2.78 0.57 -0.22 4.33 2.02 -1.20 -5.01 118.70 116.41 3gdc s GLU 252 Ca -0.05 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.14 3gdc s GLU 252 Cb 0.08 0.22 0.05 0.00 0.10 0.00 0.00 34.13 34.59 3gdc s GLU 252 CO 0.83 -0.14 -0.06 -0.47 0.02 0.00 0.00 175.26 175.44 3gdc s TYR 253 N -2.68 2.24 0.34 1.61 5.04 -1.26 -1.11 117.35 121.53 3gdc s TYR 253 Ca -0.04 -1.59 -0.15 0.00 -2.44 0.00 0.00 57.07 52.85 3gdc s TYR 253 Cb -0.01 -1.53 0.03 0.00 0.35 0.00 0.00 41.96 40.80 3gdc s TYR 253 CO -0.05 -0.74 0.68 -0.08 -1.34 0.00 0.00 175.55 174.03 3gdc s THR 254 N 1.45 0.00 -1.03 4.34 -1.32 -0.24 -4.93 115.64 113.90 3gdc s THR 254 Ca -0.04 -1.15 0.09 0.00 -1.21 0.00 0.00 61.69 59.39 3gdc s THR 254 Cb -0.18 -2.54 0.05 0.00 -1.51 0.00 0.00 72.50 68.32 3gdc s THR 254 CO -0.07 0.00 0.72 -0.90 -2.21 0.00 0.00 174.62 172.16 3gdc n ASP 255 N -1.05 1.56 -3.73 8.08 5.68 -1.26 -0.29 116.55 125.54 3gdc n ASP 255 Ca -0.05 -1.28 -0.14 0.00 -0.50 0.00 0.00 54.79 52.82 3gdc n ASP 255 Cb 0.60 0.15 -0.14 0.00 -1.14 0.00 0.00 41.12 40.59 3gdc n ASP 255 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3gdc s THR 256 N -0.91 -0.10 0.12 2.12 2.01 -1.26 -2.38 115.64 115.23 3gdc s THR 256 Ca 0.10 0.21 0.03 0.00 0.31 0.00 0.00 61.69 62.34 3gdc s THR 256 Cb 0.07 -0.29 -0.04 0.00 0.01 0.00 0.00 72.50 72.25 3gdc s THR 256 CO 0.15 0.09 -0.09 0.27 -0.69 0.00 0.00 174.62 174.35 3gdc s ILE 257 N 1.44 0.94 0.15 1.82 -5.25 -0.58 -4.99 121.20 114.73 3gdc s ILE 257 Ca -0.07 -1.93 0.09 0.00 -0.99 0.00 0.00 60.65 57.76 3gdc s ILE 257 Cb -0.11 -1.69 -0.04 0.00 2.95 0.00 0.00 42.46 43.57 3gdc s ILE 257 CO -0.07 -0.76 -0.21 -0.94 -1.79 0.00 0.00 174.94 171.18 3gdc s SER 258 N -2.97 2.82 -0.10 4.36 1.04 -1.26 -1.45 113.70 116.13 3gdc s SER 258 Ca 0.13 -0.80 -0.05 0.00 0.48 0.00 0.00 55.95 55.71 3gdc s SER 258 Cb 0.02 -0.17 0.04 0.00 0.10 0.00 0.00 66.02 66.02 3gdc s SER 258 CO -0.02 0.04 0.22 -1.10 0.98 0.00 0.00 173.24 173.37 3gdc s GLN 259 N -2.42 0.18 0.82 4.02 -0.21 -0.50 -5.00 119.66 116.55 3gdc s GLN 259 Ca 0.13 0.49 -0.12 0.00 0.02 0.00 0.00 55.36 55.88 3gdc s GLN 259 Cb -0.08 -0.13 0.09 0.00 1.00 0.00 0.00 33.01 33.89 3gdc s GLN 259 CO 0.06 -0.16 1.18 0.14 -2.12 0.00 0.00 175.29 174.39 3gdc s VAL 260 N 1.23 2.00 0.22 1.09 -7.23 -1.26 -0.95 120.40 115.49 3gdc s VAL 260 Ca -0.09 0.00 -0.32 0.00 -1.81 0.00 0.00 61.98 59.76 3gdc s VAL 260 Cb -0.11 -2.99 -0.13 0.00 0.56 0.00 0.00 36.38 33.72 3gdc s VAL 260 CO -0.08 0.00 1.59 1.67 -0.31 0.00 0.00 175.10 177.97 3gdc n GLN 261 N -3.35 2.43 0.00 4.82 7.27 -1.26 -1.29 117.38 126.00 3gdc n GLN 261 Ca 0.08 0.87 0.00 0.00 0.07 0.00 0.00 57.00 58.02 3gdc n GLN 261 Cb 0.61 -2.64 0.00 0.00 2.41 0.00 0.00 30.24 30.61 3gdc n GLN 261 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3gdc n GLY 262 N 3.05 3.02 3.82 1.69 0.00 -0.27 -5.03 105.19 111.47 3gdc n GLY 262 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 3gdc n GLY 262 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gdc s GLN 263 N -0.66 3.89 0.07 1.61 -0.21 -0.41 -4.92 119.66 119.03 3gdc s GLN 263 Ca 0.00 1.16 -0.26 0.00 0.02 0.00 0.00 55.36 56.27 3gdc s GLN 263 Cb 0.00 -2.12 0.08 0.00 1.00 0.00 0.00 33.01 31.97 3gdc s GLN 263 CO 0.00 -0.33 0.82 -0.98 -2.12 0.00 0.00 175.29 172.68 3gdc s ARG 264 N -3.58 1.04 0.02 2.91 1.70 -1.26 -1.96 118.95 117.83 3gdc s ARG 264 Ca 0.63 -0.43 -0.09 0.00 -0.47 0.00 0.00 55.73 55.36 3gdc s ARG 264 Cb -0.12 0.45 0.03 0.00 -0.57 0.00 0.00 34.95 34.74 3gdc s ARG 264 CO 0.24 -0.46 0.44 0.41 -1.08 0.00 0.00 175.30 174.84 3gdc n GLY 265 N -0.32 0.71 3.42 3.88 0.00 -0.40 -0.02 105.19 112.45 3gdc n GLY 265 Ca -0.10 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.64 3gdc n GLY 265 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gdc s ILE 266 N -2.22 3.22 -0.07 -0.61 1.01 -0.50 -0.72 121.20 121.32 3gdc s ILE 266 Ca 0.10 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.16 3gdc s ILE 266 Cb -0.01 -2.35 -0.02 0.00 0.01 0.00 0.00 42.46 40.09 3gdc s ILE 266 CO 0.01 0.53 -0.13 -0.76 0.00 0.00 0.00 174.94 174.59 3gdc s LEU 267 N 0.11 2.80 -0.06 2.97 1.43 0.18 -0.27 118.68 125.84 3gdc s LEU 267 Ca -0.05 -0.19 0.03 0.00 -1.03 0.00 0.00 54.13 52.89 3gdc s LEU 267 Cb -0.15 -1.59 0.01 0.00 0.03 0.00 0.00 46.19 44.50 3gdc s LEU 267 CO 0.04 0.32 -0.14 -1.61 0.23 0.00 0.00 176.35 175.19 3gdc s GLU 268 N -0.55 1.84 0.20 1.70 2.02 -0.13 -0.53 118.70 123.24 3gdc s GLU 268 Ca 0.08 -0.49 -0.13 0.00 0.02 0.00 0.00 54.97 54.44 3gdc s GLU 268 Cb -0.12 -1.51 0.01 0.00 0.10 0.00 0.00 34.13 32.61 3gdc s GLU 268 CO 0.01 0.08 0.42 -0.48 0.02 0.00 0.00 175.26 175.32 3gdc s LEU 269 N 0.51 0.49 -0.11 1.80 2.34 -0.76 -1.17 118.68 121.77 3gdc s LEU 269 Ca -0.13 -0.75 0.01 0.00 0.06 0.00 0.00 54.13 53.33 3gdc s LEU 269 Cb -0.15 1.67 0.02 0.00 -0.56 0.00 0.00 46.19 47.17 3gdc s LEU 269 CO 0.04 -1.01 -0.14 -0.13 -1.06 0.00 0.00 176.35 174.05 3gdc s ARG 270 N -3.95 2.06 -0.33 1.48 0.52 -1.26 -0.48 118.95 116.99 3gdc s ARG 270 Ca 0.16 -0.50 -0.29 0.00 -0.52 0.00 0.00 55.73 54.58 3gdc s ARG 270 Cb 0.01 -1.82 0.01 0.00 0.52 0.00 0.00 34.95 33.66 3gdc s ARG 270 CO 0.01 -0.11 1.26 -0.06 0.02 0.00 0.00 175.30 176.42 3gdc s PHE 271 N 1.14 2.75 -0.23 -0.53 0.08 -1.26 -4.83 117.98 115.10 3gdc s PHE 271 Ca -0.04 0.89 0.28 0.00 0.12 0.00 0.00 56.93 58.18 3gdc s PHE 271 Cb -0.14 -3.96 0.92 0.00 -0.57 0.00 0.00 43.02 39.27 3gdc s PHE 271 CO -0.04 -1.54 1.81 -1.00 -0.10 0.00 0.00 175.22 174.35 3gdc h PRO 272 N 9.21 0.00 -5.01 0.24 0.13 -1.96 0.23 132.00 134.85 3gdc h PRO 272 Ca -0.25 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.47 3gdc h PRO 272 Cb 1.09 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.95 3gdc h PRO 272 CO 1.05 0.00 -0.79 0.71 -0.23 0.00 0.00 178.00 178.74 3gdc s TYR 273 N -3.42 1.01 0.69 1.56 2.02 -1.26 -4.81 117.35 113.15 3gdc s TYR 273 Ca 0.04 -0.27 -0.12 0.00 -0.37 0.00 0.00 57.07 56.36 3gdc s TYR 273 Cb 0.08 -0.63 0.01 0.00 -0.40 0.00 0.00 41.96 41.02 3gdc s TYR 273 CO 0.57 -0.00 1.07 -1.25 -1.57 0.00 0.00 175.55 174.37 3gdc s PRO 274 N -0.67 2.85 0.00 -1.71 0.04 -1.26 -4.82 135.00 129.42 3gdc s PRO 274 Ca 0.02 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.14 3gdc s PRO 274 Cb -0.06 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.51 3gdc s PRO 274 CO 0.00 -1.18 0.00 0.41 0.04 0.00 0.00 177.00 176.27 3gdc n GLY 275 N -1.52 0.51 3.69 0.56 0.00 -0.18 -4.92 105.19 103.34 3gdc n GLY 275 Ca 0.08 -2.16 -0.36 0.00 0.00 0.00 0.00 46.02 43.57 3gdc n GLY 275 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gdc s LYS 276 N -0.72 4.15 -0.19 1.61 1.02 -1.26 -0.61 119.74 123.75 3gdc s LYS 276 Ca 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 55.97 55.89 3gdc s LYS 276 Cb 0.00 -3.49 0.04 0.00 -0.52 0.00 0.00 37.83 33.86 3gdc s LYS 276 CO 0.00 0.13 -0.07 -0.06 -0.92 0.00 0.00 175.35 174.43 3gdc s PHE 277 N 0.84 2.00 0.55 3.18 0.08 -0.21 -4.97 117.98 119.44 3gdc s PHE 277 Ca 0.11 -1.33 -0.22 0.00 0.12 0.00 0.00 56.93 55.62 3gdc s PHE 277 Cb -0.13 -1.45 -0.05 0.00 -0.57 0.00 0.00 43.02 40.83 3gdc s PHE 277 CO 0.04 -0.68 1.34 1.41 -0.10 0.00 0.00 175.22 177.23 3gdc s MET 278 N 1.53 3.15 0.01 0.44 1.75 -1.26 -0.55 119.30 124.38 3gdc s MET 278 Ca -0.01 2.19 0.01 0.00 -1.25 0.00 0.00 55.69 56.63 3gdc s MET 278 Cb -0.16 -2.24 -0.01 0.00 2.84 0.00 0.00 34.83 35.25 3gdc s MET 278 CO -0.08 -1.16 -0.04 -0.59 -0.65 0.00 0.00 175.02 172.50 3gdc s PHE 279 N -1.33 0.32 -0.04 4.11 -0.12 -0.13 -0.69 117.98 120.10 3gdc s PHE 279 Ca 0.72 -0.30 -0.31 0.00 -0.05 0.00 0.00 56.93 56.99 3gdc s PHE 279 Cb -0.39 -0.21 0.12 0.00 -0.63 0.00 0.00 43.02 41.91 3gdc s PHE 279 CO 0.46 -0.08 1.23 -3.38 -0.05 0.00 0.00 175.22 173.40 3gdc s HIS 280 N -0.80 -0.08 0.35 3.49 -3.43 -0.50 -0.61 115.29 113.72 3gdc s HIS 280 Ca -0.07 -0.03 -0.28 0.00 -0.80 0.00 0.00 55.06 53.87 3gdc s HIS 280 Cb -0.06 0.55 -0.11 0.00 -1.43 0.00 0.00 32.58 31.53 3gdc s HIS 280 CO -0.00 -0.32 1.42 0.00 -2.00 0.00 0.00 174.74 173.84 3gdc s ALA 281 N -2.53 3.55 -1.87 -1.38 0.00 -1.06 -0.45 121.76 118.02 3gdc s ALA 281 Ca 0.13 1.46 0.05 0.00 0.00 0.00 0.00 51.96 53.59 3gdc s ALA 281 Cb 0.03 -3.56 0.15 0.00 0.00 0.00 0.00 23.12 19.73 3gdc s ALA 281 CO -0.04 -0.90 1.08 1.58 0.00 0.00 0.00 175.76 177.49 3gdc n HIS 282 N 0.69 0.24 -3.29 0.00 -0.00 -1.26 -4.54 115.22 107.06 3gdc n HIS 282 Ca 0.01 -0.11 -0.42 0.00 0.46 0.00 0.00 57.72 57.66 3gdc n HIS 282 Cb 0.40 -0.02 -0.08 0.00 -0.12 0.00 0.00 29.99 30.17 3gdc n HIS 282 CO 0.00 0.00 0.00 0.21 0.46 0.00 0.00 176.34 177.01 3gdc s LYS 283 N -1.74 3.47 0.23 1.57 2.20 -1.26 -4.97 119.74 119.24 3gdc s LYS 283 Ca 0.11 -0.37 -0.06 0.00 -0.36 0.00 0.00 55.97 55.29 3gdc s LYS 283 Cb 0.06 -3.85 0.33 0.00 -1.51 0.00 0.00 37.83 32.86 3gdc s LYS 283 CO 0.07 -0.68 1.81 1.15 -0.36 0.00 0.00 175.35 177.34 3gdc h THR 284 N 5.64 0.94 -0.77 3.43 2.02 -2.01 -1.76 112.91 120.40 3gdc h THR 284 Ca -0.28 -0.26 0.11 0.00 0.77 0.00 0.00 66.41 66.75 3gdc h THR 284 Cb 1.12 0.12 -0.08 0.00 -1.74 0.00 0.00 68.15 67.57 3gdc h THR 284 CO 0.77 0.14 0.40 -0.08 0.37 0.00 0.00 175.52 177.11 3gdc h GLU 285 N 0.75 0.63 -0.26 6.66 4.81 -1.94 -1.61 114.58 123.62 3gdc h GLU 285 Ca 0.36 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.37 3gdc h GLU 285 Cb 0.28 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3gdc h GLU 285 CO -0.22 0.42 -0.52 0.74 -0.73 0.00 0.00 179.01 178.70 3gdc h PHE 286 N 0.65 1.03 -0.41 0.92 0.04 -1.70 -3.00 116.94 114.46 3gdc h PHE 286 Ca 0.39 -0.37 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 3gdc h PHE 286 Cb 0.43 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 3gdc h PHE 286 CO -0.10 1.19 0.18 0.00 -0.60 0.00 0.00 178.31 178.98 3gdc h ALA 287 N 0.65 0.53 0.00 2.45 0.00 -1.11 -1.92 119.26 119.86 3gdc h ALA 287 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3gdc h ALA 287 Cb 1.13 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3gdc h ALA 287 CO 0.12 0.10 0.00 0.39 0.00 0.00 0.00 179.25 179.86 3gdc n GLU 288 N -4.67 0.08 -0.34 0.00 1.02 -0.64 -2.52 120.64 113.57 3gdc n GLU 288 Ca 0.00 0.14 0.08 0.00 -0.02 0.00 0.00 57.16 57.36 3gdc n GLU 288 Cb 0.12 -1.50 0.22 0.00 -0.02 0.00 0.00 31.44 30.26 3gdc n GLU 288 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3gdc n LEU 289 N -1.44 3.51 0.00 -4.62 4.77 -1.00 -4.96 117.00 113.26 3gdc n LEU 289 Ca 0.06 -2.70 0.00 0.00 -0.03 0.00 0.00 56.01 53.34 3gdc n LEU 289 Cb 0.21 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 3gdc n LEU 289 CO 0.18 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 3gdc n GLY 290 N -0.25 1.31 2.78 -0.72 0.00 -1.05 -1.58 105.19 105.69 3gdc n GLY 290 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3gdc n GLY 290 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3gdc n TRP 291 N 0.00 2.95 -3.68 1.61 -0.00 -0.76 -1.18 117.44 116.38 3gdc n TRP 291 Ca 0.00 -2.82 -0.15 0.00 -0.00 0.00 0.00 57.50 54.53 3gdc n TRP 291 Cb 0.00 -2.03 -0.08 0.00 -0.00 0.00 0.00 31.31 29.20 3gdc n TRP 291 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3gdc s MET 292 N 0.62 0.75 0.07 5.87 0.23 -1.26 -2.58 119.30 123.00 3gdc s MET 292 Ca 0.43 0.17 -0.03 0.00 -1.03 0.00 0.00 55.69 55.22 3gdc s MET 292 Cb 0.12 0.35 0.01 0.00 -1.53 0.00 0.00 34.83 33.77 3gdc s MET 292 CO -0.02 -0.19 0.17 0.41 -2.03 0.00 0.00 175.02 173.36 3gdc n GLY 293 N 1.60 1.62 3.24 3.16 0.00 0.22 -4.03 105.19 111.00 3gdc n GLY 293 Ca -0.19 -1.04 -0.22 0.00 0.00 0.00 0.00 46.02 44.58 3gdc n GLY 293 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gdc s PHE 294 N -6.98 1.56 0.00 1.61 0.08 -0.19 -0.95 117.98 113.12 3gdc s PHE 294 Ca 0.04 -0.43 -0.16 0.00 0.12 0.00 0.00 56.93 56.50 3gdc s PHE 294 Cb -0.01 -0.87 -0.06 0.00 -0.57 0.00 0.00 43.02 41.51 3gdc s PHE 294 CO 0.02 0.14 0.44 -0.06 -0.10 0.00 0.00 175.22 175.66 3gdc s PHE 295 N -1.16 3.72 -0.31 0.36 0.08 0.29 -0.78 117.98 120.18 3gdc s PHE 295 Ca 0.03 1.03 -0.04 0.00 0.12 0.00 0.00 56.93 58.07 3gdc s PHE 295 Cb -0.10 -2.35 0.04 0.00 -0.57 0.00 0.00 43.02 40.04 3gdc s PHE 295 CO 0.03 0.59 0.05 -2.00 -0.10 0.00 0.00 175.22 173.79 3gdc s GLU 296 N -0.92 2.61 -0.30 0.44 2.56 0.11 -1.04 118.70 122.15 3gdc s GLU 296 Ca 0.25 -1.17 -0.14 0.00 0.00 0.00 0.00 54.97 53.92 3gdc s GLU 296 Cb -0.17 -3.31 -0.03 0.00 2.00 0.00 0.00 34.13 32.62 3gdc s GLU 296 CO 0.14 -0.61 0.30 0.08 -0.56 0.00 0.00 175.26 174.61 3gdc s VAL 297 N 1.35 5.23 0.31 3.70 1.01 0.22 -1.73 120.40 130.49 3gdc s VAL 297 Ca -0.03 0.21 -0.19 0.00 0.00 0.00 0.00 61.98 61.97 3gdc s VAL 297 Cb -0.19 -3.68 -0.09 0.00 0.00 0.00 0.00 36.38 32.41 3gdc s VAL 297 CO 0.01 0.09 0.80 -0.94 0.00 0.00 0.00 175.10 175.06 3gdc s SER 298 N 1.71 6.97 0.00 3.32 1.04 -0.30 -1.00 113.70 125.44 3gdc s SER 298 Ca 0.11 1.48 0.14 0.00 0.48 0.00 0.00 55.95 58.16 3gdc s SER 298 Cb -0.16 -2.45 0.86 0.00 0.10 0.00 0.00 66.02 64.37 3gdc s SER 298 CO 0.11 -0.14 1.28 0.00 0.98 0.00 0.00 173.24 175.47