#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 3.80 0.55 -3.33 1.01 -1.26 -4.97 120.40 116.19 3gdc s VAL 15 Ca 0.00 1.36 -0.22 0.00 0.00 0.00 0.00 61.98 63.12 3gdc s VAL 15 Cb 0.00 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 3gdc s VAL 15 CO 0.00 0.14 1.35 0.18 0.00 0.00 0.00 175.10 176.77 3gdc n LEU 16 N 3.46 5.45 -0.35 3.92 4.77 -1.26 -4.76 117.00 128.22 3gdc n LEU 16 Ca 0.08 0.98 0.01 0.00 -0.03 0.00 0.00 56.01 57.04 3gdc n LEU 16 Cb 0.45 -1.57 0.15 0.00 -2.33 0.00 0.00 43.42 40.12 3gdc n LEU 16 CO 0.56 -0.62 1.25 0.00 -1.33 0.00 0.00 177.39 177.24 3gdc h ALA 17 N 1.42 1.30 -0.85 -1.18 0.00 -1.95 -0.67 119.26 117.33 3gdc h ALA 17 Ca -0.51 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 3gdc h ALA 17 Cb 1.31 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 3gdc h ALA 17 CO 0.57 0.43 0.40 1.49 0.00 0.00 0.00 179.25 182.13 3gdc h GLU 18 N 1.14 1.23 -0.12 0.00 4.57 -1.91 -1.51 114.58 117.97 3gdc h GLU 18 Ca 0.40 -0.19 -0.18 0.00 -1.18 0.00 0.00 59.36 58.21 3gdc h GLU 18 Cb 0.11 -0.22 0.01 0.00 -0.16 0.00 0.00 28.75 28.49 3gdc h GLU 18 CO -0.16 0.95 -0.64 -0.09 -1.18 0.00 0.00 179.01 177.89 3gdc h ARG 19 N 1.21 0.65 -0.49 1.92 2.43 -1.83 -3.33 114.38 114.94 3gdc h ARG 19 Ca 0.29 -0.54 -0.07 0.00 -0.81 0.00 0.00 59.98 58.85 3gdc h ARG 19 Cb 0.13 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 3gdc h ARG 19 CO -0.03 1.16 0.02 0.00 -1.51 0.00 0.00 179.97 179.60 3gdc h ALA 20 N 0.50 1.12 0.00 2.80 0.00 -0.97 -3.41 119.26 119.30 3gdc h ALA 20 Ca -0.05 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3gdc h ALA 20 Cb 1.29 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3gdc h ALA 20 CO 0.13 0.57 0.00 0.41 0.00 0.00 0.00 179.25 180.36 3gdc n GLY 21 N -0.67 0.72 2.82 0.00 0.00 -0.58 -2.57 105.19 104.91 3gdc n GLY 21 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.17 -0.02 -0.47 -0.61 1.01 -1.21 -4.85 121.20 112.88 3gdc s ILE 22 Ca 0.00 0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.76 3gdc s ILE 22 Cb 0.00 -0.05 0.12 0.00 0.01 0.00 0.00 42.46 42.54 3gdc s ILE 22 CO 0.00 0.05 0.23 -0.62 0.00 0.00 0.00 174.94 174.60 3gdc s ASP 23 N 0.54 4.88 0.45 3.58 -1.08 -1.26 -4.44 116.67 119.34 3gdc s ASP 23 Ca -0.05 -2.51 0.13 0.00 -0.52 0.00 0.00 52.55 49.60 3gdc s ASP 23 Cb -0.07 -1.73 1.03 0.00 -1.46 0.00 0.00 42.92 40.69 3gdc s ASP 23 CO -0.01 -0.38 2.03 -0.65 0.52 0.00 0.00 175.17 176.68 3gdc h PRO 24 N 7.29 0.10 -0.50 4.34 0.11 -1.94 -1.81 132.00 139.59 3gdc h PRO 24 Ca -0.07 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.96 3gdc h PRO 24 Cb 0.98 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 3gdc h PRO 24 CO 0.65 0.18 0.05 1.15 -0.21 0.00 0.00 178.00 179.83 3gdc h THR 25 N 0.10 1.26 -0.20 -1.15 2.02 -1.93 -1.61 112.91 111.40 3gdc h THR 25 Ca 0.02 -0.99 -0.04 0.00 0.77 0.00 0.00 66.41 66.17 3gdc h THR 25 Cb 0.19 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 3gdc h THR 25 CO 0.01 0.35 -0.05 0.00 0.37 0.00 0.00 175.52 176.20 3gdc h ALA 26 N 0.96 0.27 -0.90 6.16 0.00 -1.91 -3.16 119.26 120.67 3gdc h ALA 26 Ca 0.15 -0.25 0.15 0.00 0.00 0.00 0.00 54.91 54.96 3gdc h ALA 26 Cb 0.44 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 3gdc h ALA 26 CO 0.02 0.04 0.58 0.82 0.00 0.00 0.00 179.25 180.71 3gdc h ILE 27 N 0.10 0.81 -0.91 0.00 2.04 -1.25 -2.18 117.51 116.12 3gdc h ILE 27 Ca 0.05 -0.23 0.17 0.00 1.00 0.00 0.00 64.86 65.85 3gdc h ILE 27 Cb 0.49 0.07 -0.07 0.00 -0.74 0.00 0.00 36.82 36.57 3gdc h ILE 27 CO 0.02 0.12 0.59 0.25 0.00 0.00 0.00 178.15 179.13 3gdc h LEU 28 N 0.68 0.58 -2.85 1.44 5.85 -1.25 -2.90 115.31 116.86 3gdc h LEU 28 Ca 0.46 0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.23 3gdc h LEU 28 Cb 0.77 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.74 3gdc h LEU 28 CO -0.22 0.26 -0.01 0.54 -0.34 0.00 0.00 178.44 178.68 3gdc n ARG 29 N -4.57 2.56 -3.03 1.25 1.74 -0.93 -0.90 116.66 112.77 3gdc n ARG 29 Ca 0.19 -1.56 -0.44 0.00 -0.77 0.00 0.00 57.85 55.27 3gdc n ARG 29 Cb 0.57 -1.02 -0.04 0.00 -1.02 0.00 0.00 32.46 30.95 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 -1.16 6.35 -0.39 0.55 2.15 -0.87 -5.00 116.67 118.31 3gdc s ASP 30 Ca 0.04 -1.61 -0.13 0.00 0.43 0.00 0.00 52.55 51.28 3gdc s ASP 30 Cb 0.03 -2.34 0.02 0.00 -0.30 0.00 0.00 42.92 40.33 3gdc s ASP 30 CO 0.00 -1.12 0.26 -0.36 -0.17 0.00 0.00 175.17 173.78 3gdc s PHE 31 N 2.74 3.24 -0.63 -5.34 0.08 -1.26 -4.32 117.98 112.49 3gdc s PHE 31 Ca 0.20 -0.70 -0.26 0.00 0.12 0.00 0.00 56.93 56.28 3gdc s PHE 31 Cb -0.17 -2.52 0.04 0.00 -0.57 0.00 0.00 43.02 39.80 3gdc s PHE 31 CO 0.02 -0.59 1.15 0.34 -0.10 0.00 0.00 175.22 176.03 3gdc s ASP 32 N 1.63 6.31 0.00 1.36 -1.08 0.12 -4.86 116.67 120.16 3gdc s ASP 32 Ca 0.04 -0.26 0.30 0.00 -0.52 0.00 0.00 52.55 52.12 3gdc s ASP 32 Cb -0.19 -2.52 1.55 0.00 -1.46 0.00 0.00 42.92 40.31 3gdc s ASP 32 CO 0.09 -1.53 2.05 0.54 0.52 0.00 0.00 175.17 176.83 3gdc n ARG 33 N 8.45 0.79 0.00 4.34 1.74 -1.26 -1.14 116.66 129.58 3gdc n ARG 33 Ca 0.04 -0.13 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 3gdc n ARG 33 Cb 0.48 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 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 1.17 0.71 3.45 -0.13 0.00 -1.26 -4.73 105.19 104.40 3gdc n GLY 34 Ca 0.18 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 3.07 0.12 1.61 1.70 -0.31 -4.91 118.95 120.22 3gdc s ARG 35 Ca 0.00 -0.64 0.10 0.00 -0.47 0.00 0.00 55.73 54.72 3gdc s ARG 35 Cb 0.00 -2.59 -0.04 0.00 -0.57 0.00 0.00 34.95 31.75 3gdc s ARG 35 CO 0.00 0.41 -0.23 0.95 -1.08 0.00 0.00 175.30 175.35 3gdc s THR 36 N -0.15 2.49 0.21 4.99 -4.23 -1.26 -0.49 115.64 117.19 3gdc s THR 36 Ca 0.00 -1.63 -0.08 0.00 -1.18 0.00 0.00 61.69 58.80 3gdc s THR 36 Cb -0.13 -2.11 -0.02 0.00 1.34 0.00 0.00 72.50 71.58 3gdc s THR 36 CO 0.03 0.11 0.31 -0.94 -0.54 0.00 0.00 174.62 173.59 3gdc s SER 37 N -2.04 0.03 -0.21 3.99 1.04 -0.32 -4.98 113.70 111.21 3gdc s SER 37 Ca 0.15 -1.06 -0.08 0.00 0.48 0.00 0.00 55.95 55.45 3gdc s SER 37 Cb -0.10 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.45 3gdc s SER 37 CO 0.07 -0.97 0.08 -0.89 0.98 0.00 0.00 173.24 172.52 3gdc s THR 38 N -4.05 4.72 0.69 2.02 2.01 -1.26 -0.34 115.64 119.44 3gdc s THR 38 Ca 0.26 -0.05 -0.11 0.00 0.31 0.00 0.00 61.69 62.10 3gdc s THR 38 Cb 0.03 -3.17 0.00 0.00 0.01 0.00 0.00 72.50 69.38 3gdc s THR 38 CO 0.07 0.40 1.06 -0.76 -0.69 0.00 0.00 174.62 174.70 3gdc s LEU 39 N 0.91 3.09 0.52 4.42 1.43 0.83 -4.91 118.68 124.98 3gdc s LEU 39 Ca 0.04 1.53 0.23 0.00 -1.03 0.00 0.00 54.13 54.90 3gdc s LEU 39 Cb -0.14 -4.42 1.36 0.00 0.03 0.00 0.00 46.19 43.03 3gdc s LEU 39 CO 0.03 -1.37 2.02 -0.65 0.23 0.00 0.00 176.35 176.61 3gdc h PRO 40 N -0.67 0.02 -0.03 1.29 0.11 -1.99 0.25 132.00 130.98 3gdc h PRO 40 Ca -0.44 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.68 3gdc h PRO 40 Cb 1.21 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3gdc h PRO 40 CO 0.58 0.01 0.03 0.22 -0.21 0.00 0.00 178.00 178.63 3gdc h ASP 41 N 0.02 0.00 0.00 -2.05 1.82 -2.04 -3.46 116.42 110.71 3gdc h ASP 41 Ca 0.21 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.85 3gdc h ASP 41 Cb 0.81 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.82 3gdc h ASP 41 CO -0.01 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.23 3gdc n GLY 42 N -1.40 1.41 3.75 -0.78 0.00 0.89 -5.07 105.19 103.99 3gdc n GLY 42 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.90 2.92 0.05 1.61 0.52 -1.26 -4.66 118.95 117.24 3gdc s ARG 43 Ca 0.00 1.76 -0.28 0.00 -0.52 0.00 0.00 55.73 56.69 3gdc s ARG 43 Cb 0.00 -1.93 -0.05 0.00 0.52 0.00 0.00 34.95 33.49 3gdc s ARG 43 CO 0.00 -1.23 0.87 0.99 0.02 0.00 0.00 175.30 175.95 3gdc s THR 44 N -1.72 4.70 -0.22 0.02 2.01 -1.26 -0.12 115.64 119.05 3gdc s THR 44 Ca 0.76 1.86 -0.08 0.00 0.31 0.00 0.00 61.69 64.53 3gdc s THR 44 Cb -0.29 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 67.96 3gdc s THR 44 CO 0.34 0.30 0.10 -0.22 -0.69 0.00 0.00 174.62 174.45 3gdc s LEU 45 N 0.25 3.79 -0.10 4.42 2.96 0.54 -0.90 118.68 129.64 3gdc s LEU 45 Ca 0.44 -0.00 0.03 0.00 -0.22 0.00 0.00 54.13 54.38 3gdc s LEU 45 Cb -0.21 -2.00 0.01 0.00 0.50 0.00 0.00 46.19 44.49 3gdc s LEU 45 CO 0.26 0.07 -0.19 -0.60 -1.32 0.00 0.00 176.35 174.57 3gdc s ARG 46 N 1.01 2.53 0.05 1.98 3.52 0.71 -1.17 118.95 127.59 3gdc s ARG 46 Ca 0.05 -0.69 0.04 0.00 -0.13 0.00 0.00 55.73 55.00 3gdc s ARG 46 Cb -0.14 -2.02 -0.02 0.00 -1.56 0.00 0.00 34.95 31.21 3gdc s ARG 46 CO 0.03 0.05 -0.13 -1.21 -0.81 0.00 0.00 175.30 173.24 3gdc s GLU 47 N 0.66 0.80 0.05 5.12 2.02 0.36 -1.55 118.70 126.15 3gdc s GLU 47 Ca -0.13 -0.79 0.01 0.00 0.02 0.00 0.00 54.97 54.09 3gdc s GLU 47 Cb -0.16 -0.77 -0.03 0.00 0.10 0.00 0.00 34.13 33.27 3gdc s GLU 47 CO 0.03 0.18 -0.06 -1.58 0.02 0.00 0.00 175.26 173.85 3gdc s TRP 48 N -1.03 0.58 -0.17 1.61 0.51 -0.64 -1.16 118.94 118.63 3gdc s TRP 48 Ca -0.01 -0.63 -0.05 0.00 -2.12 0.00 0.00 56.10 53.29 3gdc s TRP 48 Cb -0.09 -0.36 -0.03 0.00 -0.81 0.00 0.00 33.47 32.18 3gdc s TRP 48 CO 0.01 -0.15 -0.01 -0.51 -0.51 0.00 0.00 176.95 175.78 3gdc s ASP 49 N -1.90 4.94 -0.07 2.95 1.11 -1.26 -0.11 116.67 122.32 3gdc s ASP 49 Ca -0.07 -0.11 0.02 0.00 0.18 0.00 0.00 52.55 52.57 3gdc s ASP 49 Cb -0.06 -1.82 0.01 0.00 1.07 0.00 0.00 42.92 42.12 3gdc s ASP 49 CO -0.02 0.14 -0.12 -0.63 1.18 0.00 0.00 175.17 175.73 3gdc s ILE 50 N 0.52 1.15 -0.15 0.77 1.01 -0.10 -4.95 121.20 119.46 3gdc s ILE 50 Ca -0.02 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.17 3gdc s ILE 50 Cb -0.14 -1.06 0.00 0.00 0.01 0.00 0.00 42.46 41.27 3gdc s ILE 50 CO 0.02 0.36 -0.17 -0.69 0.00 0.00 0.00 174.94 174.46 3gdc s VAL 51 N 0.80 2.49 -0.20 2.92 1.01 -1.26 -1.27 120.40 124.90 3gdc s VAL 51 Ca -0.12 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 60.74 3gdc s VAL 51 Cb -0.15 -2.04 -0.00 0.00 0.00 0.00 0.00 36.38 34.19 3gdc s VAL 51 CO 0.02 0.52 1.14 0.00 0.00 0.00 0.00 175.10 176.79 3gdc s ALA 52 N 0.81 3.68 0.01 5.51 0.00 -0.43 -0.03 121.76 131.30 3gdc s ALA 52 Ca -0.06 0.31 0.04 0.00 0.00 0.00 0.00 51.96 52.25 3gdc s ALA 52 Cb -0.15 -3.58 -0.01 0.00 0.00 0.00 0.00 23.12 19.37 3gdc s ALA 52 CO -0.00 -1.10 -0.12 0.14 0.00 0.00 0.00 175.76 174.67 3gdc s VAL 53 N 3.33 0.91 -0.04 0.00 -7.23 0.49 -0.45 120.40 117.41 3gdc s VAL 53 Ca 0.49 -0.69 -0.28 0.00 -1.81 0.00 0.00 61.98 59.69 3gdc s VAL 53 Cb -0.18 -0.80 -0.03 0.00 0.56 0.00 0.00 36.38 35.93 3gdc s VAL 53 CO 0.10 0.11 0.91 -1.81 -0.31 0.00 0.00 175.10 174.10 3gdc s ASP 54 N -0.66 7.24 -0.15 4.85 1.01 -1.26 -0.89 116.67 126.81 3gdc s ASP 54 Ca 0.02 1.51 -0.13 0.00 0.71 0.00 0.00 52.55 54.66 3gdc s ASP 54 Cb -0.06 -2.53 0.04 0.00 1.01 0.00 0.00 42.92 41.39 3gdc s ASP 54 CO 0.00 -0.26 0.40 -0.75 0.21 0.00 0.00 175.17 174.77 3gdc s LYS 55 N 1.15 0.45 0.07 8.23 2.20 -0.70 -4.98 119.74 126.16 3gdc s LYS 55 Ca 0.47 0.60 -0.23 0.00 -0.36 0.00 0.00 55.97 56.45 3gdc s LYS 55 Cb -0.20 0.18 -0.06 0.00 -1.51 0.00 0.00 37.83 36.24 3gdc s LYS 55 CO 0.24 -0.07 0.69 -0.51 -0.36 0.00 0.00 175.35 175.33 3gdc s ASP 56 N 0.42 7.17 -0.05 1.43 1.01 -1.26 -0.34 116.67 125.05 3gdc s ASP 56 Ca -0.02 1.39 0.03 0.00 0.71 0.00 0.00 52.55 54.66 3gdc s ASP 56 Cb -0.04 -2.43 0.01 0.00 1.01 0.00 0.00 42.92 41.47 3gdc s ASP 56 CO -0.02 0.13 -0.12 -0.36 0.21 0.00 0.00 175.17 175.01 3gdc s PHE 57 N -0.53 1.38 -0.91 4.23 0.08 0.08 -4.92 117.98 117.39 3gdc s PHE 57 Ca 0.34 -0.44 -0.21 0.00 0.12 0.00 0.00 56.93 56.74 3gdc s PHE 57 Cb -0.20 -0.98 0.09 0.00 -0.57 0.00 0.00 43.02 41.36 3gdc s PHE 57 CO 0.22 -0.20 1.21 -2.00 -0.10 0.00 0.00 175.22 174.35 3gdc s GLU 58 N 0.38 3.50 0.19 0.44 2.12 -1.06 0.30 118.70 124.57 3gdc s GLU 58 Ca -0.09 -1.33 0.14 0.00 0.36 0.00 0.00 54.97 54.05 3gdc s GLU 58 Cb -0.13 -4.91 -0.04 0.00 0.26 0.00 0.00 34.13 29.31 3gdc s GLU 58 CO 0.02 -1.94 1.23 -0.84 -0.54 0.00 0.00 175.26 173.20 3gdc h ILE 59 N 6.17 0.93 -3.63 -3.70 3.07 -1.77 -3.40 117.51 115.17 3gdc h ILE 59 Ca 0.08 -2.40 -0.15 0.00 1.55 0.00 0.00 64.86 63.94 3gdc h ILE 59 Cb 1.03 2.40 -0.21 0.00 -0.27 0.00 0.00 36.82 39.77 3gdc h ILE 59 CO 1.23 0.53 -0.55 0.00 -1.05 0.00 0.00 178.15 178.31 3gdc s ALA 60 N -2.89 -0.21 -0.47 0.16 0.00 -1.21 -4.03 121.76 113.10 3gdc s ALA 60 Ca 0.01 -0.24 -0.38 0.00 0.00 0.00 0.00 51.96 51.35 3gdc s ALA 60 Cb 0.08 0.11 -0.15 0.00 0.00 0.00 0.00 23.12 23.16 3gdc s ALA 60 CO 0.78 -0.19 2.22 -2.30 0.00 0.00 0.00 175.76 176.27 3gdc n PRO 61 N 1.55 0.52 -0.26 0.00 -0.02 -1.26 0.72 135.00 136.24 3gdc n PRO 61 Ca -0.23 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 3gdc n PRO 61 Cb 0.55 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 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 6.94 1.71 3.49 -1.23 0.00 -1.26 -5.01 105.19 109.83 3gdc n GLY 62 Ca 0.49 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.99 5.22 -0.25 -0.61 -1.09 0.22 -5.06 121.20 116.64 3gdc s ILE 63 Ca 0.00 -0.47 -0.09 0.00 -2.23 0.00 0.00 60.65 57.86 3gdc s ILE 63 Cb 0.00 -3.80 -0.04 0.00 -1.58 0.00 0.00 42.46 37.03 3gdc s ILE 63 CO 0.00 -0.17 0.13 -0.63 -1.23 0.00 0.00 174.94 173.04 3gdc s ILE 64 N 1.69 4.90 -0.26 2.92 1.01 -1.26 -2.39 121.20 127.81 3gdc s ILE 64 Ca 0.05 0.03 -0.12 0.00 0.00 0.00 0.00 60.65 60.61 3gdc s ILE 64 Cb -0.18 -3.30 -0.05 0.00 0.01 0.00 0.00 42.46 38.94 3gdc s ILE 64 CO 0.10 0.32 0.22 0.12 0.00 0.00 0.00 174.94 175.69 3gdc s PHE 65 N 1.47 3.26 -0.68 3.97 5.36 0.15 -4.92 117.98 126.58 3gdc s PHE 65 Ca 0.06 0.21 -0.27 0.00 -0.96 0.00 0.00 56.93 55.98 3gdc s PHE 65 Cb -0.15 -2.38 0.03 0.00 -0.34 0.00 0.00 43.02 40.18 3gdc s PHE 65 CO 0.06 -0.10 1.24 0.15 -1.46 0.00 0.00 175.22 175.11 3gdc s LYS 66 N 1.58 3.30 0.21 10.12 1.02 -1.26 -0.74 119.74 133.96 3gdc s LYS 66 Ca 0.09 -0.09 0.03 0.00 0.02 0.00 0.00 55.97 56.02 3gdc s LYS 66 Cb -0.15 -4.12 -0.03 0.00 -0.52 0.00 0.00 37.83 33.00 3gdc s LYS 66 CO 0.09 -1.97 0.35 0.20 -0.92 0.00 0.00 175.35 173.10 3gdc s GLY 67 N 3.46 1.49 -0.23 -3.33 0.00 0.54 -4.97 107.32 104.28 3gdc s GLY 67 Ca 0.37 -1.08 -0.02 0.00 0.00 0.00 0.00 44.72 44.00 3gdc s GLY 67 CO 0.18 -1.07 -0.08 -0.98 0.00 0.00 0.00 173.10 171.15 3gdc s TRP 68 N -1.90 2.99 0.11 1.90 0.51 0.26 -1.72 118.94 121.09 3gdc s TRP 68 Ca 0.35 -1.41 0.06 0.00 -2.12 0.00 0.00 56.10 52.99 3gdc s TRP 68 Cb -0.10 -2.05 -0.04 0.00 -0.81 0.00 0.00 33.47 30.47 3gdc s TRP 68 CO 0.29 -0.69 -0.16 -1.54 -0.51 0.00 0.00 176.95 174.34 3gdc s SER 69 N 1.36 2.08 -0.24 2.95 1.04 -0.07 -2.51 113.70 118.31 3gdc s SER 69 Ca 0.02 -0.74 -0.17 0.00 0.48 0.00 0.00 55.95 55.55 3gdc s SER 69 Cb -0.15 -0.09 -0.03 0.00 0.10 0.00 0.00 66.02 65.85 3gdc s SER 69 CO -0.05 -0.08 0.46 -0.31 0.98 0.00 0.00 173.24 174.24 3gdc s TYR 70 N -1.71 3.30 -1.45 5.02 2.02 -1.25 -0.38 117.35 122.90 3gdc s TYR 70 Ca 0.06 0.61 -0.01 0.00 -0.37 0.00 0.00 57.07 57.35 3gdc s TYR 70 Cb -0.07 -2.64 0.01 0.00 -0.40 0.00 0.00 41.96 38.85 3gdc s TYR 70 CO 0.03 -0.19 0.12 0.09 -1.57 0.00 0.00 175.55 174.04 3gdc n ASN 71 N 5.16 -5.06 -0.97 2.29 3.02 0.95 -3.03 115.26 117.62 3gdc n ASN 71 Ca -0.06 -0.01 -0.11 0.00 -0.03 0.00 0.00 54.58 54.37 3gdc n ASN 71 Cb 0.50 -4.21 -0.04 0.00 -0.61 0.00 0.00 39.78 35.42 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 -1.02 0.92 2.99 7.41 0.00 -1.26 -5.01 105.19 109.22 3gdc n GLY 72 Ca -0.17 -0.48 -0.12 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.36 0.37 -0.17 1.61 1.70 -1.17 -4.93 118.95 113.00 3gdc s ARG 73 Ca 0.00 -0.49 0.01 0.00 -0.47 0.00 0.00 55.73 54.77 3gdc s ARG 73 Cb 0.00 -0.16 0.03 0.00 -0.57 0.00 0.00 34.95 34.25 3gdc s ARG 73 CO 0.00 0.03 -0.13 0.42 -1.08 0.00 0.00 175.30 174.53 3gdc s ILE 74 N -0.96 1.65 0.96 4.99 1.01 -1.26 -3.10 121.20 124.49 3gdc s ILE 74 Ca -0.08 -0.81 -0.12 0.00 0.00 0.00 0.00 60.65 59.64 3gdc s ILE 74 Cb -0.07 -1.61 0.17 0.00 0.01 0.00 0.00 42.46 40.96 3gdc s ILE 74 CO -0.00 0.35 1.09 -2.16 0.00 0.00 0.00 174.94 174.22 3gdc s PRO 75 N 1.43 0.70 1.39 2.79 0.04 -1.26 -3.99 135.00 136.10 3gdc s PRO 75 Ca 0.03 0.87 -0.23 0.00 0.04 0.00 0.00 61.00 61.71 3gdc s PRO 75 Cb -0.14 -1.74 0.35 0.00 0.04 0.00 0.00 34.50 33.01 3gdc s PRO 75 CO -0.10 -2.64 0.97 0.20 0.04 0.00 0.00 177.00 175.48 3gdc s GLY 76 N -3.17 1.45 0.28 0.56 0.00 0.12 -4.94 107.32 101.63 3gdc s GLY 76 Ca 0.65 -0.91 -0.29 0.00 0.00 0.00 0.00 44.72 44.17 3gdc s GLY 76 CO 0.59 0.10 1.21 -1.05 0.00 0.00 0.00 173.10 173.95 3gdc n PRO 77 N -5.48 1.74 -2.92 2.90 -0.02 -1.26 -4.54 135.00 125.41 3gdc n PRO 77 Ca 0.14 0.61 -0.43 0.00 -2.02 0.00 0.00 63.50 61.80 3gdc n PRO 77 Cb 0.60 -2.13 -0.05 0.00 -0.02 0.00 0.00 33.50 31.90 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 -0.70 4.52 0.17 3.45 2.01 -1.26 -3.89 115.64 119.92 3gdc s THR 78 Ca 0.62 0.12 -0.30 0.00 0.31 0.00 0.00 61.69 62.44 3gdc s THR 78 Cb -0.67 -4.47 -0.07 0.00 0.01 0.00 0.00 72.50 67.30 3gdc s THR 78 CO 0.57 -1.01 0.94 -0.76 -0.69 0.00 0.00 174.62 173.66 3gdc s LEU 79 N 3.61 4.57 -0.04 4.42 1.43 -0.49 0.14 118.68 132.31 3gdc s LEU 79 Ca 0.27 1.84 0.05 0.00 -1.03 0.00 0.00 54.13 55.26 3gdc s LEU 79 Cb -0.14 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.50 3gdc s LEU 79 CO 0.18 0.04 -0.19 0.86 0.23 0.00 0.00 176.35 177.48 3gdc s TRP 80 N -0.55 1.83 0.10 0.29 -0.00 -0.29 -0.21 118.94 120.12 3gdc s TRP 80 Ca 0.44 -0.52 -0.10 0.00 -0.00 0.00 0.00 56.10 55.92 3gdc s TRP 80 Cb -0.24 -1.22 0.00 0.00 -0.00 0.00 0.00 33.47 32.01 3gdc s TRP 80 CO 0.30 -0.17 0.24 0.00 -0.00 0.00 0.00 176.95 177.33 3gdc s ALA 81 N -0.02 -0.34 -0.06 5.86 0.00 0.22 -4.45 121.76 122.97 3gdc s ALA 81 Ca -0.03 -0.54 -0.10 0.00 0.00 0.00 0.00 51.96 51.29 3gdc s ALA 81 Cb -0.12 0.57 -0.05 0.00 0.00 0.00 0.00 23.12 23.52 3gdc s ALA 81 CO 0.02 -0.55 0.26 0.50 0.00 0.00 0.00 175.76 175.99 3gdc s ARG 82 N -3.86 3.64 -0.05 0.00 3.52 -1.26 -0.45 118.95 120.48 3gdc s ARG 82 Ca 0.06 0.09 -0.38 0.00 -0.13 0.00 0.00 55.73 55.36 3gdc s ARG 82 Cb 0.04 -3.19 -0.17 0.00 -1.56 0.00 0.00 34.95 30.08 3gdc s ARG 82 CO -0.10 0.73 1.45 -1.91 -0.81 0.00 0.00 175.30 174.66 3gdc n GLU 83 N 1.80 1.03 0.00 5.12 2.13 0.95 -1.55 120.64 130.12 3gdc n GLU 83 Ca -0.17 0.37 0.00 0.00 0.66 0.00 0.00 57.16 58.03 3gdc n GLU 83 Cb 0.54 -2.02 0.00 0.00 0.27 0.00 0.00 31.44 30.23 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 3.01 3.20 3.63 8.31 0.00 -0.11 -4.64 105.19 118.59 3gdc n GLY 84 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 3gdc n GLY 84 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gdc n ASP 85 N 0.00 1.81 -4.69 1.61 8.00 -0.60 -4.63 116.55 118.05 3gdc n ASP 85 Ca 0.00 1.15 -0.42 0.00 0.71 0.00 0.00 54.79 56.23 3gdc n ASP 85 Cb 0.00 -1.38 -0.03 0.00 -0.02 0.00 0.00 41.12 39.69 3gdc n ASP 85 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gdc s ALA 86 N -1.14 3.37 0.03 2.24 0.00 -0.08 -0.42 121.76 125.77 3gdc s ALA 86 Ca 0.59 0.33 0.05 0.00 0.00 0.00 0.00 51.96 52.93 3gdc s ALA 86 Cb -0.61 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.13 3gdc s ALA 86 CO 0.60 -0.50 -0.11 -0.51 0.00 0.00 0.00 175.76 175.24 3gdc s LEU 87 N 1.75 2.98 -0.04 0.00 1.43 0.88 -0.21 118.68 125.48 3gdc s LEU 87 Ca 0.47 -0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 53.29 3gdc s LEU 87 Cb -0.18 -1.74 0.03 0.00 0.03 0.00 0.00 46.19 44.33 3gdc s LEU 87 CO 0.19 0.26 0.02 -0.13 0.23 0.00 0.00 176.35 176.92 3gdc s ARG 88 N -1.56 0.26 -0.32 1.70 0.52 -0.60 -2.40 118.95 116.56 3gdc s ARG 88 Ca 0.17 0.18 -0.04 0.00 -0.52 0.00 0.00 55.73 55.52 3gdc s ARG 88 Cb -0.11 -0.63 0.05 0.00 0.52 0.00 0.00 34.95 34.78 3gdc s ARG 88 CO 0.08 -0.24 0.04 0.42 0.02 0.00 0.00 175.30 175.62 3gdc s ILE 89 N 1.64 3.32 -0.58 1.52 1.09 0.20 -1.62 121.20 126.77 3gdc s ILE 89 Ca -0.01 -1.28 -0.23 0.00 -1.10 0.00 0.00 60.65 58.03 3gdc s ILE 89 Cb -0.13 -2.89 0.05 0.00 -1.06 0.00 0.00 42.46 38.43 3gdc s ILE 89 CO -0.03 -0.14 0.94 -1.00 -0.10 0.00 0.00 174.94 174.61 3gdc s HIS 90 N 1.32 2.76 -0.18 3.97 3.76 0.84 -0.89 115.29 126.86 3gdc s HIS 90 Ca -0.04 -0.19 -0.09 0.00 -0.15 0.00 0.00 55.06 54.59 3gdc s HIS 90 Cb -0.20 -4.12 -0.05 0.00 1.11 0.00 0.00 32.58 29.33 3gdc s HIS 90 CO 0.01 -1.43 0.12 0.12 -0.85 0.00 0.00 174.74 172.70 3gdc s PHE 91 N 3.95 3.42 -0.06 1.40 5.36 0.32 -0.92 117.98 131.45 3gdc s PHE 91 Ca 0.27 0.34 0.04 0.00 -0.96 0.00 0.00 56.93 56.62 3gdc s PHE 91 Cb -0.14 -2.11 0.00 0.00 -0.34 0.00 0.00 43.02 40.43 3gdc s PHE 91 CO 0.16 0.36 -0.17 0.99 -1.46 0.00 0.00 175.22 175.09 3gdc s THR 92 N 0.10 1.50 -0.47 0.12 2.01 -0.39 -0.65 115.64 117.86 3gdc s THR 92 Ca 0.09 -0.73 -0.21 0.00 0.31 0.00 0.00 61.69 61.16 3gdc s THR 92 Cb -0.11 -1.31 0.03 0.00 0.01 0.00 0.00 72.50 71.12 3gdc s THR 92 CO -0.01 0.43 0.67 0.21 -0.69 0.00 0.00 174.62 175.24 3gdc s ASN 93 N 0.27 6.30 -0.09 3.53 2.47 -0.47 -1.32 114.94 125.63 3gdc s ASN 93 Ca -0.10 -0.47 0.16 0.00 0.42 0.00 0.00 52.86 52.87 3gdc s ASN 93 Cb -0.14 -2.33 0.55 0.00 -1.45 0.00 0.00 41.25 37.89 3gdc s ASN 93 CO 0.04 -0.86 1.47 0.00 -3.72 0.00 0.00 177.10 174.03 3gdc n ALA 94 N 6.38 2.75 -1.98 1.71 0.00 0.41 -0.26 120.51 129.52 3gdc n ALA 94 Ca -0.02 -1.60 -0.25 0.00 0.00 0.00 0.00 53.44 51.57 3gdc n ALA 94 Cb 0.47 -0.77 0.12 0.00 0.00 0.00 0.00 19.45 19.28 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 -1.16 1.76 0.11 0.00 0.00 -0.86 -4.61 107.32 102.57 3gdc s GLY 95 Ca 0.41 -1.61 0.24 0.00 0.00 0.00 0.00 44.72 43.77 3gdc s GLY 95 CO 0.19 -1.00 1.37 0.00 0.00 0.00 0.00 173.10 173.66 3gdc n ALA 96 N -3.02 2.92 -2.57 3.20 0.00 -1.26 -4.53 120.51 115.25 3gdc n ALA 96 Ca 0.15 -0.24 -0.25 0.00 0.00 0.00 0.00 53.44 53.10 3gdc n ALA 96 Cb 0.60 -1.19 -0.09 0.00 0.00 0.00 0.00 19.45 18.77 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 -3.15 2.58 0.56 0.00 3.76 -1.26 -4.84 115.29 112.94 3gdc s HIS 97 Ca 0.07 -0.25 -0.20 0.00 -0.15 0.00 0.00 55.06 54.53 3gdc s HIS 97 Cb 0.14 -1.20 -0.05 0.00 1.11 0.00 0.00 32.58 32.58 3gdc s HIS 97 CO 0.71 0.58 1.20 -1.25 -0.85 0.00 0.00 174.74 175.12 3gdc s PRO 98 N -3.20 3.20 0.17 8.40 0.04 -1.26 -4.34 135.00 138.01 3gdc s PRO 98 Ca 0.27 1.81 -0.08 0.00 0.04 0.00 0.00 61.00 63.04 3gdc s PRO 98 Cb -0.07 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 3gdc s PRO 98 CO 0.16 -1.02 0.29 -1.01 0.04 0.00 0.00 177.00 175.45 3gdc s HIS 99 N -1.59 0.46 0.30 0.56 3.76 -0.73 -4.90 115.29 113.16 3gdc s HIS 99 Ca 0.74 -0.82 0.05 0.00 -0.15 0.00 0.00 55.06 54.88 3gdc s HIS 99 Cb -0.30 -0.08 -0.03 0.00 1.11 0.00 0.00 32.58 33.28 3gdc s HIS 99 CO 0.33 -0.74 0.25 0.95 -0.85 0.00 0.00 174.74 174.69 3gdc s THR 100 N -3.99 0.00 -0.18 1.30 -4.23 -1.26 -1.19 115.64 106.09 3gdc s THR 100 Ca 0.19 -1.99 0.01 0.00 -1.18 0.00 0.00 61.69 58.73 3gdc s THR 100 Cb 0.03 -2.50 0.02 0.00 1.34 0.00 0.00 72.50 71.39 3gdc s THR 100 CO 0.02 0.00 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.29 3gdc s ILE 101 N -3.61 1.93 -0.25 2.99 1.01 -1.26 -4.09 121.20 117.93 3gdc s ILE 101 Ca 0.40 -0.92 -0.08 0.00 0.00 0.00 0.00 60.65 60.05 3gdc s ILE 101 Cb 0.03 -1.79 -0.03 0.00 0.01 0.00 0.00 42.46 40.68 3gdc s ILE 101 CO 0.24 0.46 0.08 -2.28 0.00 0.00 0.00 174.94 173.44 3gdc s HIS 102 N 1.33 3.12 -0.04 3.97 5.65 0.67 -3.82 115.29 126.17 3gdc s HIS 102 Ca 0.04 -0.30 -0.12 0.00 0.25 0.00 0.00 55.06 54.93 3gdc s HIS 102 Cb -0.14 -2.24 -0.05 0.00 -1.18 0.00 0.00 32.58 28.98 3gdc s HIS 102 CO -0.12 -0.28 0.31 -0.06 -0.65 0.00 0.00 174.74 173.95 3gdc s PHE 103 N 1.49 3.67 -0.55 3.88 0.08 -1.26 -1.14 117.98 124.16 3gdc s PHE 103 Ca 0.06 0.81 -0.23 0.00 0.12 0.00 0.00 56.93 57.69 3gdc s PHE 103 Cb -0.15 -2.15 0.05 0.00 -0.57 0.00 0.00 43.02 40.19 3gdc s PHE 103 CO 0.04 0.67 0.89 -1.01 -0.10 0.00 0.00 175.22 175.71 3gdc s HIS 104 N -1.09 2.83 0.00 0.36 3.76 -0.24 -4.91 115.29 116.00 3gdc s HIS 104 Ca 0.21 -0.13 0.00 0.00 -0.15 0.00 0.00 55.06 54.99 3gdc s HIS 104 Cb -0.15 -3.99 0.00 0.00 1.11 0.00 0.00 32.58 29.55 3gdc s HIS 104 CO 0.11 -1.31 0.00 0.41 -0.85 0.00 0.00 174.74 173.09 3gdc n GLY 105 N 5.14 1.17 3.71 -2.22 0.00 -1.26 -4.30 105.19 107.43 3gdc n GLY 105 Ca -0.00 -0.99 -0.39 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.00 5.06 0.18 1.61 1.01 -0.69 -5.00 120.40 120.57 3gdc s VAL 106 Ca 0.00 1.35 -0.24 0.00 0.00 0.00 0.00 61.98 63.10 3gdc s VAL 106 Cb 0.00 -4.00 0.05 0.00 0.00 0.00 0.00 36.38 32.43 3gdc s VAL 106 CO 0.00 0.24 0.77 -1.38 0.00 0.00 0.00 175.10 174.74 3gdc s HIS 107 N 0.91 -0.28 0.70 5.22 -0.00 -1.26 -4.51 115.29 116.06 3gdc s HIS 107 Ca 0.35 -0.03 -0.14 0.00 -0.00 0.00 0.00 55.06 55.23 3gdc s HIS 107 Cb -0.17 0.63 0.02 0.00 -0.00 0.00 0.00 32.58 33.06 3gdc s HIS 107 CO 0.16 -0.95 1.14 1.03 -0.00 0.00 0.00 174.74 176.12 3gdc s ARG 108 N -3.61 2.48 0.30 -0.38 0.52 -1.26 -4.95 118.95 112.04 3gdc s ARG 108 Ca 0.08 1.48 -0.01 0.00 -0.52 0.00 0.00 55.73 56.76 3gdc s ARG 108 Cb -0.03 -1.90 0.49 0.00 0.52 0.00 0.00 34.95 34.03 3gdc s ARG 108 CO -0.01 -1.52 1.94 0.00 0.02 0.00 0.00 175.30 175.73 3gdc h ALA 109 N -0.26 1.46 0.00 2.13 0.00 -2.00 -1.69 119.26 118.90 3gdc h ALA 109 Ca -0.46 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3gdc h ALA 109 Cb 1.26 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3gdc h ALA 109 CO 0.52 0.45 0.00 0.25 0.00 0.00 0.00 179.25 180.47 3gdc n THR 110 N -4.45 0.90 -0.71 0.00 -2.24 -1.26 -2.51 114.28 104.02 3gdc n THR 110 Ca 0.11 0.25 0.08 0.00 -2.27 0.00 0.00 64.05 62.22 3gdc n THR 110 Cb 0.11 -1.12 0.29 0.00 -2.10 0.00 0.00 70.33 67.51 3gdc n THR 110 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3gdc n MET 111 N -1.99 3.46 0.00 -0.78 2.81 -0.64 -4.51 117.12 115.47 3gdc n MET 111 Ca 0.02 -2.75 0.12 0.00 -1.81 0.00 0.00 57.70 53.28 3gdc n MET 111 Cb 0.20 -1.81 0.21 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 0.37 0.96 -2.47 7.83 2.03 -1.04 -4.80 116.55 119.43 3gdc n ASP 112 Ca 0.22 -0.75 -0.20 0.00 0.52 0.00 0.00 54.79 54.58 3gdc n ASP 112 Cb 0.85 0.34 0.01 0.00 -0.72 0.00 0.00 41.12 41.60 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 1.43 -0.44 3.47 0.27 0.00 -1.25 -4.42 105.19 104.26 3gdc n GLY 113 Ca 0.08 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.04 4.27 0.17 2.61 2.01 -1.26 -4.43 115.64 115.98 3gdc s THR 114 Ca 0.12 -0.19 -0.33 0.00 0.31 0.00 0.00 61.69 61.59 3gdc s THR 114 Cb -0.05 -2.97 -0.15 0.00 0.01 0.00 0.00 72.50 69.34 3gdc s THR 114 CO 0.14 0.38 1.31 -2.65 -0.69 0.00 0.00 174.62 173.11 3gdc n PRO 115 N 4.58 1.51 0.00 4.92 -0.02 -1.26 -1.68 135.00 143.05 3gdc n PRO 115 Ca -0.16 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 3gdc n PRO 115 Cb 0.52 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 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 2.32 1.59 3.24 -1.23 0.00 -1.26 -4.89 105.19 104.96 3gdc n GLY 116 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.51 3.09 0.00 -0.61 1.01 -0.68 -4.95 121.20 116.55 3gdc s ILE 117 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.81 3gdc s ILE 117 Cb 0.00 -2.52 0.00 0.00 0.01 0.00 0.00 42.46 39.95 3gdc s ILE 117 CO 0.00 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.81 3gdc n GLY 118 N 4.72 2.57 0.28 6.18 0.00 -1.26 -2.06 105.19 115.63 3gdc n GLY 118 Ca -0.17 -0.40 0.14 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.77 1.36 -0.73 4.61 0.00 -1.92 -3.46 119.26 118.35 3gdc h ALA 119 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3gdc h ALA 119 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3gdc h ALA 119 CO 0.00 0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.75 3gdc n GLY 120 N -0.92 3.28 3.74 0.00 0.00 -0.87 -4.59 105.19 105.82 3gdc n GLY 120 Ca -0.02 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 3gdc n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gdc s SER 121 N -4.00 6.46 -0.44 1.61 0.01 -1.26 -4.64 113.70 111.45 3gdc s SER 121 Ca 0.00 2.84 -0.15 0.00 1.31 0.00 0.00 55.95 59.95 3gdc s SER 121 Cb 0.00 -2.62 0.04 0.00 0.21 0.00 0.00 66.02 63.64 3gdc s SER 121 CO 0.00 -0.86 0.35 -0.63 0.41 0.00 0.00 173.24 172.51 3gdc s ILE 122 N 0.23 5.22 0.76 1.44 -1.09 -0.33 -4.95 121.20 122.48 3gdc s ILE 122 Ca 0.64 -0.76 -0.13 0.00 -2.23 0.00 0.00 60.65 58.17 3gdc s ILE 122 Cb -0.46 -4.02 0.05 0.00 -1.58 0.00 0.00 42.46 36.45 3gdc s ILE 122 CO 0.43 -0.43 1.13 0.00 -1.23 0.00 0.00 174.94 174.85 3gdc s ALA 123 N 1.74 2.14 0.14 9.38 0.00 -1.26 -1.77 121.76 132.13 3gdc s ALA 123 Ca 0.06 0.56 -0.34 0.00 0.00 0.00 0.00 51.96 52.23 3gdc s ALA 123 Cb -0.21 -3.37 -0.16 0.00 0.00 0.00 0.00 23.12 19.39 3gdc s ALA 123 CO 0.09 -1.84 1.32 -2.30 0.00 0.00 0.00 175.76 173.03 3gdc n PRO 124 N -3.14 1.37 0.00 0.00 -0.02 -1.26 -1.37 135.00 130.57 3gdc n PRO 124 Ca 0.11 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3gdc n PRO 124 Cb 0.52 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 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 2.43 2.68 3.93 -1.23 0.00 0.64 -5.04 105.19 108.59 3gdc n GLY 125 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 3gdc n GLY 125 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3gdc s GLN 126 N -0.45 3.27 0.17 1.61 2.00 -0.47 -4.80 119.66 120.98 3gdc s GLN 126 Ca 0.00 -0.19 0.08 0.00 -2.00 0.00 0.00 55.36 53.24 3gdc s GLN 126 Cb 0.00 -2.49 -0.04 0.00 0.80 0.00 0.00 33.01 31.28 3gdc s GLN 126 CO 0.00 -0.22 -0.16 -1.12 -0.50 0.00 0.00 175.29 173.29 3gdc s SER 127 N -4.16 2.50 -0.22 6.67 0.01 -1.26 -1.37 113.70 115.87 3gdc s SER 127 Ca 0.47 -0.90 -0.22 0.00 1.31 0.00 0.00 55.95 56.61 3gdc s SER 127 Cb -0.10 -0.13 0.06 0.00 0.21 0.00 0.00 66.02 66.06 3gdc s SER 127 CO 0.40 -0.10 0.62 0.12 0.41 0.00 0.00 173.24 174.69 3gdc s PHE 128 N -2.36 -0.67 -0.33 2.43 5.36 0.17 -5.00 117.98 117.58 3gdc s PHE 128 Ca 0.16 1.63 -0.11 0.00 -0.96 0.00 0.00 56.93 57.65 3gdc s PHE 128 Cb -0.04 0.24 -0.01 0.00 -0.34 0.00 0.00 43.02 42.87 3gdc s PHE 128 CO 0.06 -0.34 0.20 0.99 -1.46 0.00 0.00 175.22 174.68 3gdc s THR 129 N 0.27 4.94 -0.09 0.12 2.01 -1.26 -0.52 115.64 121.11 3gdc s THR 129 Ca -0.00 -0.37 -0.27 0.00 0.31 0.00 0.00 61.69 61.36 3gdc s THR 129 Cb -0.04 -3.56 -0.02 0.00 0.01 0.00 0.00 72.50 68.89 3gdc s THR 129 CO 0.01 -0.01 0.89 -0.31 -0.69 0.00 0.00 174.62 174.52 3gdc s TYR 130 N 1.66 3.53 -0.07 4.92 2.02 -0.07 -4.89 117.35 124.45 3gdc s TYR 130 Ca 0.05 1.45 0.04 0.00 -0.37 0.00 0.00 57.07 58.24 3gdc s TYR 130 Cb -0.17 -3.05 0.00 0.00 -0.40 0.00 0.00 41.96 38.34 3gdc s TYR 130 CO 0.08 -0.12 -0.20 -1.21 -1.57 0.00 0.00 175.55 172.54 3gdc s GLU 131 N 1.59 2.33 0.17 -0.62 2.02 -1.26 -0.63 118.70 122.30 3gdc s GLU 131 Ca 0.44 -0.70 -0.24 0.00 0.02 0.00 0.00 54.97 54.49 3gdc s GLU 131 Cb -0.18 -1.87 0.07 0.00 0.10 0.00 0.00 34.13 32.25 3gdc s GLU 131 CO 0.19 0.19 1.00 -0.59 0.02 0.00 0.00 175.26 176.07 3gdc s PHE 132 N 0.27 -0.04 0.28 1.61 -0.12 -1.01 -4.77 117.98 114.20 3gdc s PHE 132 Ca -0.12 -0.31 -0.06 0.00 -0.05 0.00 0.00 56.93 56.39 3gdc s PHE 132 Cb -0.15 0.67 -0.06 0.00 -0.63 0.00 0.00 43.02 42.85 3gdc s PHE 132 CO 0.05 -0.86 0.56 -0.51 -0.05 0.00 0.00 175.22 174.41 3gdc s ASP 133 N -3.13 6.48 -1.02 1.98 1.01 -1.26 -0.08 116.67 120.64 3gdc s ASP 133 Ca 0.16 0.77 -0.23 0.00 0.71 0.00 0.00 52.55 53.97 3gdc s ASP 133 Cb -0.02 -2.17 0.03 0.00 1.01 0.00 0.00 42.92 41.77 3gdc s ASP 133 CO 0.04 -0.18 1.60 0.00 0.21 0.00 0.00 175.17 176.83 3gdc s ALA 134 N -2.05 2.51 -0.18 5.23 0.00 0.44 -4.78 121.76 122.93 3gdc s ALA 134 Ca 0.45 -2.15 -0.26 0.00 0.00 0.00 0.00 51.96 50.00 3gdc s ALA 134 Cb -0.11 -4.55 0.07 0.00 0.00 0.00 0.00 23.12 18.53 3gdc s ALA 134 CO 0.28 -3.90 0.67 -0.08 0.00 0.00 0.00 175.76 172.73 3gdc s THR 135 N 6.21 0.00 0.83 0.00 -1.32 -1.26 -0.93 115.64 119.17 3gdc s THR 135 Ca 0.53 -0.02 -0.12 0.00 -1.21 0.00 0.00 61.69 60.87 3gdc s THR 135 Cb -0.01 -0.95 0.09 0.00 -1.51 0.00 0.00 72.50 70.12 3gdc s THR 135 CO -0.06 -0.01 1.14 -2.16 -2.21 0.00 0.00 174.62 171.33 3gdc s PRO 136 N -0.18 1.83 0.56 7.08 0.04 -1.26 -1.70 135.00 141.38 3gdc s PRO 136 Ca -0.04 0.28 -0.20 0.00 0.04 0.00 0.00 61.00 61.09 3gdc s PRO 136 Cb -0.03 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.54 3gdc s PRO 136 CO 0.04 -1.72 1.20 -0.59 0.04 0.00 0.00 177.00 175.97 3gdc s PHE 137 N -3.40 2.49 -5.00 0.56 -0.12 -1.26 -4.83 117.98 106.42 3gdc s PHE 137 Ca 0.62 1.51 0.00 0.00 -0.05 0.00 0.00 56.93 59.01 3gdc s PHE 137 Cb -0.13 -3.46 0.00 0.00 -0.63 0.00 0.00 43.02 38.80 3gdc s PHE 137 CO 0.51 -2.06 0.00 0.41 -0.05 0.00 0.00 175.22 174.03 3gdc n GLY 138 N 0.45 -0.29 3.42 1.99 0.00 -0.14 -4.43 105.19 106.20 3gdc n GLY 138 Ca 0.12 -1.58 -0.38 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.37 4.40 0.00 2.61 2.01 0.28 -1.04 115.64 121.53 3gdc s THR 139 Ca 0.00 -0.39 0.00 0.00 0.31 0.00 0.00 61.69 61.61 3gdc s THR 139 Cb 0.00 -3.19 0.00 0.00 0.01 0.00 0.00 72.50 69.32 3gdc s THR 139 CO 0.00 0.15 0.00 1.41 -0.69 0.00 0.00 174.62 175.49 3gdc n HIS 140 N 4.94 0.00 -3.84 4.92 8.25 0.87 -4.65 115.22 125.72 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 0.50 0.00 -0.01 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 -1.58 118.68 120.45 3gdc s LEU 141 Ca 0.00 -0.72 -0.07 0.00 0.06 0.00 0.00 54.13 53.40 3gdc s LEU 141 Cb 0.00 2.67 -0.01 0.00 -0.56 0.00 0.00 46.19 48.29 3gdc s LEU 141 CO 0.00 -1.37 0.13 -0.72 -1.06 0.00 0.00 176.35 173.33 3gdc s TYR 142 N -3.38 0.15 0.17 3.48 -0.85 -0.17 -1.08 117.35 115.67 3gdc s TYR 142 Ca 0.13 -0.43 -0.24 0.00 -0.52 0.00 0.00 57.07 56.01 3gdc s TYR 142 Cb -0.05 -0.11 0.06 0.00 0.38 0.00 0.00 41.96 42.24 3gdc s TYR 142 CO 0.07 -0.38 0.78 -3.38 -1.52 0.00 0.00 175.55 171.13 3gdc s HIS 143 N -2.56 -0.29 0.51 -3.49 -3.43 -0.29 -0.99 115.29 104.76 3gdc s HIS 143 Ca -0.05 -0.02 -0.22 0.00 -0.80 0.00 0.00 55.06 53.97 3gdc s HIS 143 Cb -0.01 0.63 -0.06 0.00 -1.43 0.00 0.00 32.58 31.70 3gdc s HIS 143 CO -0.04 -0.92 1.23 0.00 -2.00 0.00 0.00 174.74 173.01 3gdc n HIS 145 N -0.86 0.00 -2.67 0.00 -0.00 -1.26 -4.61 115.22 105.81 3gdc n HIS 145 Ca 0.09 -1.03 -0.40 0.00 0.46 0.00 0.00 57.72 56.84 3gdc n HIS 145 Cb 0.48 -0.18 -0.05 0.00 -0.12 0.00 0.00 29.99 30.11 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 -2.23 4.78 0.22 1.57 2.00 -1.26 -4.51 119.66 120.23 3gdc s GLN 146 Ca 0.32 1.57 -0.23 0.00 -2.00 0.00 0.00 55.36 55.01 3gdc s GLN 146 Cb 0.31 -3.27 -0.08 0.00 0.80 0.00 0.00 33.01 30.77 3gdc s GLN 146 CO -0.05 0.39 0.79 -1.12 -0.50 0.00 0.00 175.29 174.80 3gdc s SER 147 N -0.92 7.25 0.10 6.67 0.01 -1.26 -3.16 113.70 122.38 3gdc s SER 147 Ca 0.43 1.60 -0.31 0.00 1.31 0.00 0.00 55.95 58.98 3gdc s SER 147 Cb -0.27 -2.49 -0.07 0.00 0.21 0.00 0.00 66.02 63.40 3gdc s SER 147 CO 0.34 0.08 1.35 -2.16 0.41 0.00 0.00 173.24 173.25 3gdc s PRO 148 N -1.68 4.34 0.23 12.44 0.04 -1.26 -5.06 135.00 144.05 3gdc s PRO 148 Ca 0.42 2.00 -0.07 0.00 0.04 0.00 0.00 61.00 63.39 3gdc s PRO 148 Cb -0.20 -3.29 0.21 0.00 0.04 0.00 0.00 34.50 31.27 3gdc s PRO 148 CO 0.24 -0.41 1.87 -0.07 0.04 0.00 0.00 177.00 178.67 3gdc h LEU 149 N 6.89 1.12 0.56 -3.56 3.38 -1.92 -3.13 115.31 118.65 3gdc h LEU 149 Ca -0.42 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.44 3gdc h LEU 149 Cb 1.21 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 3gdc h LEU 149 CO 0.85 0.88 -0.31 0.00 0.09 0.00 0.00 178.44 179.96 3gdc h ALA 150 N 1.28 -0.81 -0.54 1.53 0.00 -1.99 -2.32 119.26 116.41 3gdc h ALA 150 Ca 0.32 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3gdc h ALA 150 Cb -0.01 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3gdc h ALA 150 CO -0.06 -0.96 0.15 -1.35 0.00 0.00 0.00 179.25 177.04 3gdc h PRO 151 N -0.80 0.81 -0.20 0.00 0.11 -1.95 0.13 132.00 130.10 3gdc h PRO 151 Ca -0.07 -0.15 -0.04 0.00 0.11 0.00 0.00 66.00 65.85 3gdc h PRO 151 Cb 0.64 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 3gdc h PRO 151 CO 0.09 0.72 -0.04 0.45 -0.21 0.00 0.00 178.00 179.01 3gdc h HIS 152 N 0.79 0.31 0.04 0.65 3.86 -1.46 0.24 115.15 119.59 3gdc h HIS 152 Ca 0.18 -0.02 -0.13 0.00 -1.16 0.00 0.00 60.37 59.24 3gdc h HIS 152 Cb 0.25 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 3gdc h HIS 152 CO 0.01 0.35 -0.66 0.82 0.86 0.00 0.00 177.93 179.31 3gdc h ILE 153 N 0.30 1.42 0.00 2.45 2.04 -1.29 -3.31 117.51 119.11 3gdc h ILE 153 Ca 0.07 -2.35 -0.05 0.00 1.00 0.00 0.00 64.86 63.53 3gdc h ILE 153 Cb 0.27 2.98 -0.01 0.00 -0.74 0.00 0.00 36.82 39.31 3gdc h ILE 153 CO 0.01 0.57 -0.22 0.00 0.00 0.00 0.00 178.15 178.51 3gdc h ALA 154 N -0.11 1.28 0.00 1.87 0.00 -0.40 -2.19 119.26 119.71 3gdc h ALA 154 Ca -0.16 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3gdc h ALA 154 Cb 1.30 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3gdc h ALA 154 CO -0.02 0.28 0.00 1.63 0.00 0.00 0.00 179.25 181.14 3gdc n LYS 155 N -3.77 0.06 0.00 0.00 5.02 0.83 -4.79 118.16 115.50 3gdc n LYS 155 Ca -0.01 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 3gdc n LYS 155 Cb 0.33 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 3gdc n LYS 155 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gdc n GLY 156 N 1.07 -0.10 3.36 0.72 0.00 -0.83 -0.57 105.19 108.84 3gdc n GLY 156 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 3gdc n GLY 156 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gdc n LEU 157 N 0.00 5.46 -3.59 0.99 4.77 -1.04 -4.49 117.00 119.10 3gdc n LEU 157 Ca 0.00 -4.34 -0.12 0.00 -0.03 0.00 0.00 56.01 51.52 3gdc n LEU 157 Cb 0.00 -1.63 -0.05 0.00 -2.33 0.00 0.00 43.42 39.41 3gdc n LEU 157 CO 0.00 0.71 0.22 -0.72 -1.33 0.00 0.00 177.39 176.27 3gdc s TYR 158 N 2.11 -0.31 0.19 -1.77 -0.85 -1.26 -1.56 117.35 113.90 3gdc s TYR 158 Ca 0.45 0.11 -0.24 0.00 -0.52 0.00 0.00 57.07 56.88 3gdc s TYR 158 Cb 0.02 0.32 0.06 0.00 0.38 0.00 0.00 41.96 42.73 3gdc s TYR 158 CO 0.02 -0.70 0.94 0.20 -1.52 0.00 0.00 175.55 174.49 3gdc s GLY 159 N -2.53 -0.12 0.45 5.49 0.00 -0.16 0.14 107.32 110.58 3gdc s GLY 159 Ca -0.00 -0.05 -0.16 0.00 0.00 0.00 0.00 44.72 44.51 3gdc s GLY 159 CO -0.09 0.35 0.91 -0.32 0.00 0.00 0.00 173.10 173.94 3gdc s GLY 160 N -3.02 2.14 -0.24 0.20 0.00 -1.25 -1.00 107.32 104.14 3gdc s GLY 160 Ca 0.14 0.14 -0.03 0.00 0.00 0.00 0.00 44.72 44.96 3gdc s GLY 160 CO 0.04 0.39 0.19 -0.12 0.00 0.00 0.00 173.10 173.59 3gdc s PHE 161 N -2.41 -0.05 -0.23 1.90 5.36 -0.62 -1.39 117.98 120.55 3gdc s PHE 161 Ca 0.57 -0.31 -0.07 0.00 -0.96 0.00 0.00 56.93 56.17 3gdc s PHE 161 Cb -0.10 -0.61 -0.03 0.00 -0.34 0.00 0.00 43.02 41.94 3gdc s PHE 161 CO 0.26 -0.73 0.05 0.42 -1.46 0.00 0.00 175.22 173.75 3gdc s ILE 162 N 2.23 4.25 -0.28 3.12 1.01 0.71 -0.09 121.20 132.14 3gdc s ILE 162 Ca 0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 60.65 60.50 3gdc s ILE 162 Cb -0.15 -2.96 0.04 0.00 0.01 0.00 0.00 42.46 39.40 3gdc s ILE 162 CO -0.24 0.38 -0.01 -0.69 0.00 0.00 0.00 174.94 174.38 3gdc s VAL 163 N 1.27 3.08 0.15 2.92 1.01 -0.21 -0.61 120.40 128.01 3gdc s VAL 163 Ca 0.04 -1.16 -0.30 0.00 0.00 0.00 0.00 61.98 60.56 3gdc s VAL 163 Cb -0.15 -2.67 -0.07 0.00 0.00 0.00 0.00 36.38 33.50 3gdc s VAL 163 CO 0.03 0.03 0.96 -0.70 0.00 0.00 0.00 175.10 175.42 3gdc s GLU 164 N 1.31 4.74 0.58 2.72 2.56 0.40 -0.96 118.70 130.05 3gdc s GLU 164 Ca -0.02 1.48 -0.20 0.00 0.00 0.00 0.00 54.97 56.22 3gdc s GLU 164 Cb -0.18 -3.34 -0.04 0.00 2.00 0.00 0.00 34.13 32.56 3gdc s GLU 164 CO -0.02 0.30 1.23 -0.35 -0.56 0.00 0.00 175.26 175.85 3gdc n PRO 165 N 2.39 1.33 -0.20 4.30 -0.04 -1.26 -0.04 135.00 141.48 3gdc n PRO 165 Ca 0.01 0.50 0.01 0.00 -0.04 0.00 0.00 63.50 63.98 3gdc n PRO 165 Cb 0.48 -2.44 0.12 0.00 -0.04 0.00 0.00 33.50 31.62 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 0.98 0.33 -0.01 0.54 1.63 -1.95 0.10 116.57 118.19 3gdc h LYS 166 Ca -0.50 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.28 3gdc h LYS 166 Cb 1.33 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.89 3gdc h LYS 166 CO 0.54 0.22 -0.01 -1.91 -3.45 0.00 0.00 179.45 174.84 3gdc n GLU 167 N -5.06 1.33 0.00 1.90 2.13 -1.26 -4.98 120.64 114.70 3gdc n GLU 167 Ca 0.09 -0.55 0.00 0.00 0.66 0.00 0.00 57.16 57.36 3gdc n GLU 167 Cb 0.31 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.53 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 1.12 -0.35 3.60 8.31 0.00 0.35 -4.99 105.19 113.23 3gdc n GLY 168 Ca 0.20 -1.82 -0.26 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.31 2.15 0.31 1.61 0.52 -1.26 -4.76 118.95 116.21 3gdc s ARG 169 Ca 0.00 -1.31 -0.29 0.00 -0.52 0.00 0.00 55.73 53.61 3gdc s ARG 169 Cb 0.00 -2.17 -0.13 0.00 0.52 0.00 0.00 34.95 33.17 3gdc s ARG 169 CO 0.00 0.41 1.27 -0.35 0.02 0.00 0.00 175.30 176.65 3gdc n PRO 170 N -0.25 1.96 -2.15 3.54 -0.04 -1.26 -4.85 135.00 131.96 3gdc n PRO 170 Ca -0.09 0.69 -0.41 0.00 -0.04 0.00 0.00 63.50 63.65 3gdc n PRO 170 Cb 0.56 -2.25 -0.02 0.00 -0.04 0.00 0.00 33.50 31.75 3gdc n PRO 170 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3gdc s PRO 171 N -1.48 4.38 0.22 0.54 0.04 -1.26 -5.01 135.00 132.42 3gdc s PRO 171 Ca 0.59 2.18 -0.08 0.00 0.04 0.00 0.00 61.00 63.73 3gdc s PRO 171 Cb -0.61 -3.08 -0.06 0.00 0.04 0.00 0.00 34.50 30.78 3gdc s PRO 171 CO 0.59 -0.16 0.51 0.00 0.04 0.00 0.00 177.00 177.98 3gdc s ALA 172 N -1.11 3.63 0.09 8.56 0.00 -1.26 -4.97 121.76 126.69 3gdc s ALA 172 Ca 0.49 -0.39 0.08 0.00 0.00 0.00 0.00 51.96 52.14 3gdc s ALA 172 Cb -0.39 -2.33 -0.22 0.00 0.00 0.00 0.00 23.12 20.18 3gdc s ALA 172 CO 0.52 0.51 1.15 -0.44 0.00 0.00 0.00 175.76 177.49 3gdc h ASP 173 N 2.47 0.00 -2.31 0.00 3.45 -1.44 -3.44 116.42 115.16 3gdc h ASP 173 Ca -0.47 -0.01 -0.29 0.00 0.43 0.00 0.00 57.03 56.69 3gdc h ASP 173 Cb 1.17 -0.00 -0.34 0.00 -0.56 0.00 0.00 39.33 39.60 3gdc h ASP 173 CO 0.70 1.00 -0.60 -0.62 -1.57 0.00 0.00 179.24 178.15 3gdc s ASP 174 N -6.59 1.29 -0.15 6.45 2.15 -0.81 -4.99 116.67 114.03 3gdc s ASP 174 Ca -0.00 -0.30 -0.05 0.00 0.43 0.00 0.00 52.55 52.63 3gdc s ASP 174 Cb 0.10 0.54 -0.03 0.00 -0.30 0.00 0.00 42.92 43.22 3gdc s ASP 174 CO 0.82 -0.34 0.01 -0.70 -0.17 0.00 0.00 175.17 174.79 3gdc s GLU 175 N 2.37 3.62 0.11 4.34 2.12 -1.26 -1.10 118.70 128.90 3gdc s GLU 175 Ca 0.09 -0.42 -0.04 0.00 0.36 0.00 0.00 54.97 54.96 3gdc s GLU 175 Cb -0.15 -3.00 -0.03 0.00 0.26 0.00 0.00 34.13 31.21 3gdc s GLU 175 CO -0.19 0.38 0.11 0.00 -0.54 0.00 0.00 175.26 175.02 3gdc s MET 176 N 0.04 0.89 -0.07 4.30 0.23 0.25 -4.73 119.30 120.21 3gdc s MET 176 Ca 0.03 -1.26 0.06 0.00 -1.03 0.00 0.00 55.69 53.49 3gdc s MET 176 Cb -0.13 0.28 -0.01 0.00 -1.53 0.00 0.00 34.83 33.44 3gdc s MET 176 CO 0.02 -0.26 -0.25 0.08 -2.03 0.00 0.00 175.02 172.58 3gdc s VAL 177 N -3.97 2.06 -0.20 5.16 1.01 -0.08 -0.35 120.40 124.04 3gdc s VAL 177 Ca 0.16 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 3gdc s VAL 177 Cb 0.06 -1.75 0.05 0.00 0.00 0.00 0.00 36.38 34.74 3gdc s VAL 177 CO -0.03 0.57 -0.03 -0.04 0.00 0.00 0.00 175.10 175.56 3gdc s MET 178 N -0.05 1.31 -0.26 2.72 -1.94 0.64 -4.41 119.30 117.32 3gdc s MET 178 Ca -0.07 -0.67 -0.09 0.00 -1.71 0.00 0.00 55.69 53.14 3gdc s MET 178 Cb -0.15 -2.25 -0.04 0.00 2.01 0.00 0.00 34.83 34.40 3gdc s MET 178 CO 0.05 -0.55 0.13 0.08 -0.01 0.00 0.00 175.02 174.72 3gdc s VAL 179 N 1.60 4.83 -0.20 -6.03 1.01 -1.26 -1.00 120.40 119.35 3gdc s VAL 179 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 61.98 61.81 3gdc s VAL 179 Cb -0.17 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 3gdc s VAL 179 CO -0.07 0.31 0.36 -0.04 0.00 0.00 0.00 175.10 175.66 3gdc s MET 180 N 1.57 4.18 0.31 2.72 -1.94 0.40 -0.39 119.30 126.15 3gdc s MET 180 Ca 0.06 0.14 0.05 0.00 -1.71 0.00 0.00 55.69 54.24 3gdc s MET 180 Cb -0.15 -3.52 -0.02 0.00 2.01 0.00 0.00 34.83 33.15 3gdc s MET 180 CO 0.07 0.02 0.20 0.27 -0.01 0.00 0.00 175.02 175.56 3gdc n ASN 181 N 4.30 0.10 -4.11 3.03 6.94 -0.22 -1.51 115.26 123.79 3gdc n ASN 181 Ca -0.09 -2.89 -0.08 0.00 -0.02 0.00 0.00 54.58 51.49 3gdc n ASN 181 Cb 0.51 1.23 -0.10 0.00 -2.36 0.00 0.00 39.78 39.06 3gdc n ASN 181 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 3gdc s GLY 182 N -3.08 0.56 -0.15 4.83 0.00 -1.26 -2.12 107.32 106.11 3gdc s GLY 182 Ca 0.28 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 43.75 3gdc s GLY 182 CO 0.20 -1.36 -0.14 -0.19 0.00 0.00 0.00 173.10 171.61 3gdc s TYR 183 N -3.83 2.15 -0.69 1.90 1.51 -0.20 -4.89 117.35 113.30 3gdc s TYR 183 Ca 0.09 -1.20 -0.17 0.00 -1.01 0.00 0.00 57.07 54.77 3gdc s TYR 183 Cb 0.07 -1.58 0.14 0.00 -0.11 0.00 0.00 41.96 40.48 3gdc s TYR 183 CO -0.08 -0.66 0.74 1.21 -1.11 0.00 0.00 175.55 175.64 3gdc s ASN 184 N 1.47 6.39 0.22 2.29 2.47 -1.26 -0.98 114.94 125.54 3gdc s ASN 184 Ca 0.05 -1.91 0.23 0.00 0.42 0.00 0.00 52.86 51.64 3gdc s ASN 184 Cb -0.13 -2.27 0.06 0.00 -1.45 0.00 0.00 41.25 37.46 3gdc s ASN 184 CO -0.10 -0.92 1.12 0.00 -3.72 0.00 0.00 177.10 173.47 3gdc h THR 185 N 5.61 0.00 -1.63 -5.21 1.03 -1.93 -3.49 112.91 107.30 3gdc h THR 185 Ca -0.13 -0.95 0.00 0.00 -0.01 0.00 0.00 66.41 65.32 3gdc h THR 185 Cb 1.07 1.50 0.00 0.00 -1.07 0.00 0.00 68.15 69.65 3gdc h THR 185 CO 1.00 0.00 0.00 -0.90 -0.01 0.00 0.00 175.52 175.61 3gdc n ASP 186 N -2.66 0.76 0.00 0.00 5.68 -1.26 -5.06 116.55 114.01 3gdc n ASP 186 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.30 3gdc n ASP 186 Cb 0.54 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 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 3.54 -2.72 3.68 6.12 0.00 -1.26 -4.86 105.19 109.69 3gdc n GLY 187 Ca 0.00 0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 3gdc n GLY 187 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gdc s GLY 188 N -0.62 1.68 -1.48 -0.02 0.00 -1.26 -4.89 107.32 100.73 3gdc s GLY 188 Ca 0.00 0.48 -0.13 0.00 0.00 0.00 0.00 44.72 45.07 3gdc s GLY 188 CO 0.00 0.90 2.46 1.22 0.00 0.00 0.00 173.10 177.68 3gdc n ASP 189 N -4.13 5.49 -3.79 1.64 9.92 -1.26 -4.82 116.55 119.59 3gdc n ASP 189 Ca 0.11 -2.73 -0.10 0.00 -0.53 0.00 0.00 54.79 51.53 3gdc n ASP 189 Cb 0.52 -1.60 -0.07 0.00 -0.64 0.00 0.00 41.12 39.34 3gdc n ASP 189 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 3gdc s ASP 190 N 2.92 -0.03 0.02 -2.24 -4.77 -1.26 -4.94 116.67 106.37 3gdc s ASP 190 Ca 0.55 -0.40 -0.18 0.00 -3.30 0.00 0.00 52.55 49.22 3gdc s ASP 190 Cb 0.15 0.35 -0.06 0.00 -1.09 0.00 0.00 42.92 42.28 3gdc s ASP 190 CO -0.07 -0.68 0.51 0.20 0.70 0.00 0.00 175.17 175.83 3gdc s ASN 191 N -2.44 6.93 -0.07 2.11 -0.87 -1.26 -4.52 114.94 114.81 3gdc s ASN 191 Ca -0.00 1.11 0.19 0.00 -1.57 0.00 0.00 52.86 52.58 3gdc s ASN 191 Cb 0.01 -2.32 -0.25 0.00 -0.02 0.00 0.00 41.25 38.68 3gdc s ASN 191 CO -0.07 0.24 0.41 -0.62 -2.57 0.00 0.00 177.10 174.48 3gdc n GLU 192 N 2.11 0.66 -4.12 -0.60 4.71 -0.16 -4.97 120.64 118.27 3gdc n GLU 192 Ca -0.11 -0.02 -0.08 0.00 -0.01 0.00 0.00 57.16 56.94 3gdc n GLU 192 Cb 0.51 -1.60 -0.10 0.00 -1.01 0.00 0.00 31.44 29.25 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 -2.96 0.70 0.03 -0.32 0.08 -1.09 -4.93 117.98 109.49 3gdc s PHE 193 Ca -0.07 -1.16 0.00 0.00 0.12 0.00 0.00 56.93 55.82 3gdc s PHE 193 Cb 0.09 -0.44 -0.02 0.00 -0.57 0.00 0.00 43.02 42.08 3gdc s PHE 193 CO 0.85 -0.45 -0.03 0.71 -0.10 0.00 0.00 175.22 176.19 3gdc s TYR 194 N -3.99 0.36 0.20 0.36 2.02 -0.49 -1.04 117.35 114.78 3gdc s TYR 194 Ca 0.16 -0.64 -0.14 0.00 -0.37 0.00 0.00 57.07 56.08 3gdc s TYR 194 Cb 0.08 -0.25 0.01 0.00 -0.40 0.00 0.00 41.96 41.39 3gdc s TYR 194 CO -0.04 -0.22 0.46 -1.54 -1.57 0.00 0.00 175.55 172.64 3gdc s SER 195 N -1.79 -0.14 -0.19 2.29 1.04 -0.90 -3.01 113.70 110.99 3gdc s SER 195 Ca -0.10 -0.70 -0.04 0.00 0.48 0.00 0.00 55.95 55.58 3gdc s SER 195 Cb -0.06 0.55 -0.02 0.00 0.10 0.00 0.00 66.02 66.59 3gdc s SER 195 CO -0.03 -1.04 -0.03 -0.69 0.98 0.00 0.00 173.24 172.43 3gdc s VAL 196 N -3.94 3.73 -1.64 5.02 1.01 -1.26 -1.06 120.40 122.27 3gdc s VAL 196 Ca 0.15 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.74 3gdc s VAL 196 Cb 0.00 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.71 3gdc s VAL 196 CO 0.01 0.45 0.00 0.59 0.00 0.00 0.00 175.10 176.15 3gdc n ASN 197 N 4.19 -5.00 0.00 3.32 3.02 0.48 -4.16 115.26 117.10 3gdc n ASN 197 Ca -0.17 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 3gdc n ASN 197 Cb 0.52 -4.03 0.00 0.00 -0.61 0.00 0.00 39.78 35.65 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 -0.95 1.69 3.08 7.41 0.00 -1.26 -4.15 105.19 111.01 3gdc n GLY 198 Ca -0.18 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.03 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 2.50 0.01 0.99 1.43 -1.26 -4.93 118.68 117.41 3gdc s LEU 199 Ca 0.00 -0.89 -0.38 0.00 -1.03 0.00 0.00 54.13 51.83 3gdc s LEU 199 Cb 0.00 -1.44 -0.18 0.00 0.03 0.00 0.00 46.19 44.60 3gdc s LEU 199 CO 0.00 -0.08 1.30 -2.65 0.23 0.00 0.00 176.35 175.15 3gdc n PRO 200 N 4.59 0.76 -0.84 1.29 -0.02 -1.26 -2.17 135.00 137.36 3gdc n PRO 200 Ca -0.18 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3gdc n PRO 200 Cb 0.47 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 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 2.52 0.00 -0.20 6.00 3.72 -0.14 -4.60 117.46 124.76 3gdc n PHE 201 Ca 0.20 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.61 3gdc n PHE 201 Cb 0.14 -1.28 0.10 0.00 -0.94 0.00 0.00 39.48 37.50 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 -0.01 0.00 1.38 -0.00 -1.69 -0.50 115.15 114.33 3gdc h HIS 202 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 3gdc h HIS 202 Cb 0.40 0.10 0.00 0.00 -0.00 0.00 0.00 27.41 27.90 3gdc h HIS 202 CO 0.25 -0.14 0.00 1.19 -0.00 0.00 0.00 177.93 179.23 3gdc n PHE 203 N -5.26 0.00 0.03 5.26 3.72 -1.26 -1.04 117.46 118.90 3gdc n PHE 203 Ca 0.09 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.29 3gdc n PHE 203 Cb 0.34 -0.04 -0.10 0.00 -0.94 0.00 0.00 39.48 38.75 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 0.66 0.00 -1.08 2.86 -1.23 -1.51 114.93 114.63 3gdc h MET 204 Ca 0.00 -0.68 -0.21 0.00 -2.06 0.00 0.00 59.70 56.75 3gdc h MET 204 Cb 0.03 0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 3gdc h MET 204 CO 0.00 1.27 -1.36 -0.44 1.06 0.00 0.00 176.91 177.44 3gdc h ASP 205 N 0.31 0.00 -2.69 1.22 3.32 -1.41 -3.41 116.42 113.76 3gdc h ASP 205 Ca -0.11 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.34 3gdc h ASP 205 Cb 1.58 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.73 3gdc h ASP 205 CO 0.18 0.76 -0.79 -0.36 -1.72 0.00 0.00 179.24 177.31 3gdc s PHE 206 N -2.79 2.22 0.70 4.55 0.08 -0.21 -5.12 117.98 117.40 3gdc s PHE 206 Ca -0.02 -2.79 -0.16 0.00 0.12 0.00 0.00 56.93 54.07 3gdc s PHE 206 Cb 0.08 -1.73 0.02 0.00 -0.57 0.00 0.00 43.02 40.82 3gdc s PHE 206 CO 0.81 -0.70 1.26 -2.14 -0.10 0.00 0.00 175.22 174.35 3gdc s PRO 207 N -0.65 2.27 -0.20 0.24 0.02 -1.20 -4.34 135.00 131.14 3gdc s PRO 207 Ca 0.29 1.95 -0.29 0.00 0.02 0.00 0.00 61.00 62.98 3gdc s PRO 207 Cb 0.00 -1.83 -0.03 0.00 0.02 0.00 0.00 34.50 32.67 3gdc s PRO 207 CO -0.19 -1.78 1.56 0.08 -0.33 0.00 0.00 177.00 176.34 3gdc s VAL 208 N -1.65 3.77 -0.28 3.83 1.01 -0.04 -4.70 120.40 122.34 3gdc s VAL 208 Ca 0.79 0.88 -0.25 0.00 0.00 0.00 0.00 61.98 63.40 3gdc s VAL 208 Cb -0.34 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.29 3gdc s VAL 208 CO 0.43 -0.27 0.88 -0.54 0.00 0.00 0.00 175.10 175.59 3gdc s LYS 209 N 4.46 4.09 0.12 2.72 1.02 -1.26 0.12 119.74 131.01 3gdc s LYS 209 Ca 0.69 0.88 0.04 0.00 0.02 0.00 0.00 55.97 57.60 3gdc s LYS 209 Cb -0.25 -3.69 -0.04 0.00 -0.52 0.00 0.00 37.83 33.33 3gdc s LYS 209 CO 0.27 -0.65 -0.10 0.14 -0.92 0.00 0.00 175.35 174.09 3gdc s VAL 210 N 3.06 1.04 -0.11 3.17 -7.23 -0.54 -4.96 120.40 114.82 3gdc s VAL 210 Ca 0.37 -1.90 -0.09 0.00 -1.81 0.00 0.00 61.98 58.54 3gdc s VAL 210 Cb -0.14 -1.66 -0.04 0.00 0.56 0.00 0.00 36.38 35.09 3gdc s VAL 210 CO 0.10 -0.69 0.19 -0.54 -0.31 0.00 0.00 175.10 173.85 3gdc s LYS 211 N -3.42 3.65 0.23 4.82 1.02 -1.26 -0.81 119.74 123.97 3gdc s LYS 211 Ca 0.12 -0.04 -0.31 0.00 0.02 0.00 0.00 55.97 55.77 3gdc s LYS 211 Cb 0.01 -3.24 -0.14 0.00 -0.52 0.00 0.00 37.83 33.94 3gdc s LYS 211 CO -0.00 0.68 1.22 0.94 -0.92 0.00 0.00 175.35 177.26 3gdc n GLN 212 N 2.23 1.55 0.00 1.68 7.27 -0.53 -2.50 117.38 127.08 3gdc n GLN 212 Ca -0.18 0.55 0.00 0.00 0.07 0.00 0.00 57.00 57.44 3gdc n GLN 212 Cb 0.54 -2.08 0.00 0.00 2.41 0.00 0.00 30.24 31.11 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 1.28 0.00 -2.66 3.69 8.25 0.11 -4.95 115.22 120.93 3gdc n HIS 213 Ca 0.12 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.24 3gdc n HIS 213 Cb 0.29 -0.24 -0.05 0.00 1.12 0.00 0.00 29.99 31.11 3gdc n HIS 213 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 3gdc s GLU 214 N 0.00 3.99 -0.27 -0.41 -1.05 -1.04 -4.82 118.70 115.10 3gdc s GLU 214 Ca 0.00 1.26 -0.29 0.00 -0.15 0.00 0.00 54.97 55.79 3gdc s GLU 214 Cb 0.00 -2.14 -0.00 0.00 -0.44 0.00 0.00 34.13 31.55 3gdc s GLU 214 CO 0.00 -0.25 1.27 -1.17 0.95 0.00 0.00 175.26 176.06 3gdc s LEU 215 N -3.34 3.96 -0.20 1.83 0.20 -1.26 -4.25 118.68 115.61 3gdc s LEU 215 Ca 0.65 1.31 -0.07 0.00 0.69 0.00 0.00 54.13 56.71 3gdc s LEU 215 Cb -0.13 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.05 3gdc s LEU 215 CO 0.17 -0.99 0.06 -0.69 -0.29 0.00 0.00 176.35 174.61 3gdc s VAL 216 N 4.10 4.57 -0.17 1.68 1.01 0.13 -1.00 120.40 130.73 3gdc s VAL 216 Ca 0.55 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.43 3gdc s VAL 216 Cb -0.17 -3.08 0.01 0.00 0.00 0.00 0.00 36.38 33.14 3gdc s VAL 216 CO 0.20 0.42 -0.18 -0.60 0.00 0.00 0.00 175.10 174.95 3gdc s ARG 217 N 0.76 3.08 -0.16 2.72 3.52 -0.26 -1.67 118.95 126.94 3gdc s ARG 217 Ca 0.03 -0.79 0.00 0.00 -0.13 0.00 0.00 55.73 54.84 3gdc s ARG 217 Cb -0.14 -2.61 0.00 0.00 -1.56 0.00 0.00 34.95 30.65 3gdc s ARG 217 CO 0.02 -0.13 -0.16 0.42 -0.81 0.00 0.00 175.30 174.64 3gdc s ILE 218 N 1.15 2.60 -0.51 4.11 1.01 0.45 -0.58 121.20 129.42 3gdc s ILE 218 Ca 0.01 -0.79 -0.21 0.00 0.00 0.00 0.00 60.65 59.66 3gdc s ILE 218 Cb -0.14 -2.10 0.05 0.00 0.01 0.00 0.00 42.46 40.28 3gdc s ILE 218 CO -0.08 0.51 0.73 -1.00 0.00 0.00 0.00 174.94 175.11 3gdc s HIS 219 N 0.89 2.97 -0.25 3.97 3.76 0.53 -0.63 115.29 126.53 3gdc s HIS 219 Ca -0.04 -0.30 -0.07 0.00 -0.15 0.00 0.00 55.06 54.50 3gdc s HIS 219 Cb -0.15 -3.69 -0.03 0.00 1.11 0.00 0.00 32.58 29.82 3gdc s HIS 219 CO -0.01 -1.12 0.08 -1.17 -0.85 0.00 0.00 174.74 171.66 3gdc s LEU 220 N 3.09 3.47 -0.12 0.89 2.96 0.06 -0.26 118.68 128.77 3gdc s LEU 220 Ca 0.21 -0.21 0.02 0.00 -0.22 0.00 0.00 54.13 53.93 3gdc s LEU 220 Cb -0.16 -1.93 0.01 0.00 0.50 0.00 0.00 46.19 44.61 3gdc s LEU 220 CO 0.15 -0.04 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.34 3gdc s ILE 221 N 1.62 1.71 -0.31 6.68 1.01 -0.17 -1.17 121.20 130.57 3gdc s ILE 221 Ca 0.06 -0.77 -0.15 0.00 0.00 0.00 0.00 60.65 59.80 3gdc s ILE 221 Cb -0.15 -1.54 -0.02 0.00 0.01 0.00 0.00 42.46 40.76 3gdc s ILE 221 CO 0.04 0.48 0.34 0.21 0.00 0.00 0.00 174.94 176.02 3gdc s ASN 222 N 0.91 6.18 0.00 3.58 2.47 -0.84 -0.45 114.94 126.79 3gdc s ASN 222 Ca -0.07 -0.05 0.06 0.00 0.42 0.00 0.00 52.86 53.22 3gdc s ASN 222 Cb -0.15 -2.19 0.10 0.00 -1.45 0.00 0.00 41.25 37.56 3gdc s ASN 222 CO -0.02 -0.26 0.88 1.33 -3.72 0.00 0.00 177.10 175.32 3gdc n VAL 223 N 5.18 0.40 -1.70 -5.21 0.24 -0.57 -1.45 118.33 115.23 3gdc n VAL 223 Ca -0.09 -0.70 -0.56 0.00 -2.04 0.00 0.00 64.34 60.95 3gdc n VAL 223 Cb 0.50 0.88 -0.07 0.00 -1.47 0.00 0.00 33.84 33.68 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 0.24 2.49 -4.94 1.34 7.94 -1.14 -4.84 117.00 118.09 3gdc n LEU 224 Ca 0.05 1.06 -0.24 0.00 -1.11 0.00 0.00 56.01 55.77 3gdc n LEU 224 Cb 0.24 -1.18 -0.01 0.00 0.53 0.00 0.00 43.42 43.00 3gdc n LEU 224 CO 0.04 -0.42 0.24 -0.70 -1.11 0.00 0.00 177.39 175.43 3gdc s GLU 225 N 3.34 3.43 0.00 1.96 2.56 -1.26 -4.52 118.70 124.21 3gdc s GLU 225 Ca 0.96 -0.26 0.00 0.00 0.00 0.00 0.00 54.97 55.67 3gdc s GLU 225 Cb -1.00 -2.60 0.00 0.00 2.00 0.00 0.00 34.13 32.53 3gdc s GLU 225 CO 0.62 0.03 0.00 0.66 -0.56 0.00 0.00 175.26 176.01 3gdc n TYR 226 N -1.91 0.00 -2.42 5.30 4.01 -1.26 -4.88 117.16 116.00 3gdc n TYR 226 Ca -0.03 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.29 3gdc n TYR 226 Cb 0.56 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.56 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 7.11 0.47 7.72 1.01 -1.26 -4.96 116.67 126.76 3gdc s ASP 227 Ca 0.00 2.10 0.26 0.00 0.71 0.00 0.00 52.55 55.62 3gdc s ASP 227 Cb 0.00 -2.59 1.02 0.00 1.01 0.00 0.00 42.92 42.36 3gdc s ASP 227 CO 0.00 -0.40 1.86 1.55 0.21 0.00 0.00 175.17 178.39 3gdc h PRO 228 N 6.08 0.00 -3.10 8.23 0.13 -1.91 -3.46 132.00 137.97 3gdc h PRO 228 Ca -0.43 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.57 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 0.78 0.16 -0.33 -1.50 -0.23 0.00 0.00 178.00 176.88 3gdc s ILE 229 N -3.66 0.05 0.37 -3.56 2.07 -1.26 -4.11 121.20 111.10 3gdc s ILE 229 Ca 0.01 -0.40 0.06 0.00 -1.41 0.00 0.00 60.65 58.91 3gdc s ILE 229 Cb 0.10 -0.54 -0.07 0.00 0.13 0.00 0.00 42.46 42.08 3gdc s ILE 229 CO 0.61 -0.22 0.01 0.21 -1.91 0.00 0.00 174.94 173.64 3gdc s ASN 230 N -0.99 3.35 0.22 4.50 3.84 -0.04 -4.99 114.94 120.84 3gdc s ASN 230 Ca -0.11 -1.34 -0.10 0.00 0.21 0.00 0.00 52.86 51.52 3gdc s ASN 230 Cb -0.05 -0.29 -0.01 0.00 -0.55 0.00 0.00 41.25 40.35 3gdc s ASN 230 CO 0.03 -0.47 0.38 -0.94 -2.79 0.00 0.00 177.10 173.32 3gdc s SER 231 N -3.62 -0.03 -0.06 -4.21 1.04 -1.26 -1.60 113.70 103.97 3gdc s SER 231 Ca 0.35 -1.00 -0.02 0.00 0.48 0.00 0.00 55.95 55.76 3gdc s SER 231 Cb 0.09 0.52 0.04 0.00 0.10 0.00 0.00 66.02 66.77 3gdc s SER 231 CO 0.17 -1.04 0.12 0.12 0.98 0.00 0.00 173.24 173.58 3gdc s PHE 232 N -4.03 -0.11 0.01 5.02 5.36 -0.45 -3.88 117.98 119.89 3gdc s PHE 232 Ca 0.25 0.41 0.01 0.00 -0.96 0.00 0.00 56.93 56.63 3gdc s PHE 232 Cb 0.01 -0.16 -0.01 0.00 -0.34 0.00 0.00 43.02 42.52 3gdc s PHE 232 CO 0.08 -0.17 -0.02 -1.58 -1.46 0.00 0.00 175.22 172.07 3gdc s HIS 233 N 1.37 0.20 -0.10 10.12 5.65 -0.08 -1.37 115.29 131.08 3gdc s HIS 233 Ca -0.07 -0.14 0.03 0.00 0.25 0.00 0.00 55.06 55.13 3gdc s HIS 233 Cb -0.12 -0.13 0.01 0.00 -1.18 0.00 0.00 32.58 31.15 3gdc s HIS 233 CO -0.05 -0.04 -0.20 -1.50 -0.65 0.00 0.00 174.74 172.30 3gdc s ILE 234 N -0.36 1.78 0.30 0.89 2.07 -1.02 -1.83 121.20 123.04 3gdc s ILE 234 Ca -0.03 -0.85 -0.29 0.00 -1.41 0.00 0.00 60.65 58.07 3gdc s ILE 234 Cb -0.03 -1.56 -0.10 0.00 0.13 0.00 0.00 42.46 40.90 3gdc s ILE 234 CO -0.00 0.50 1.38 -1.00 -1.91 0.00 0.00 174.94 173.90 3gdc s HIS 235 N 0.52 2.99 0.00 3.50 3.76 0.26 -3.65 115.29 122.67 3gdc s HIS 235 Ca -0.16 1.24 0.00 0.00 -0.15 0.00 0.00 55.06 55.99 3gdc s HIS 235 Cb -0.17 -3.77 0.00 0.00 1.11 0.00 0.00 32.58 29.75 3gdc s HIS 235 CO 0.06 -2.29 0.00 0.41 -0.85 0.00 0.00 174.74 172.07 3gdc n GLY 236 N 1.31 0.13 3.04 -2.22 0.00 -1.26 -4.73 105.19 101.47 3gdc n GLY 236 Ca 0.03 0.00 -0.09 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 -2.01 0.47 0.03 1.61 -0.87 -1.24 -4.97 114.94 107.96 3gdc s ASN 237 Ca 0.00 -0.73 0.06 0.00 -1.57 0.00 0.00 52.86 50.62 3gdc s ASN 237 Cb 0.00 0.13 -0.02 0.00 -0.02 0.00 0.00 41.25 41.34 3gdc s ASN 237 CO 0.00 -0.41 -0.17 -0.36 -2.57 0.00 0.00 177.10 173.59 3gdc s PHE 238 N -2.52 1.47 0.12 2.20 0.08 -1.26 -4.50 117.98 113.56 3gdc s PHE 238 Ca -0.05 -0.35 0.06 0.00 0.12 0.00 0.00 56.93 56.72 3gdc s PHE 238 Cb -0.02 -0.88 -0.04 0.00 -0.57 0.00 0.00 43.02 41.51 3gdc s PHE 238 CO -0.04 0.05 -0.15 -0.59 -0.10 0.00 0.00 175.22 174.38 3gdc s PHE 239 N -0.75 1.44 0.06 0.36 -0.12 0.42 -4.66 117.98 114.73 3gdc s PHE 239 Ca 0.04 -0.53 -0.25 0.00 -0.05 0.00 0.00 56.93 56.15 3gdc s PHE 239 Cb -0.08 -0.76 -0.06 0.00 -0.63 0.00 0.00 43.02 41.49 3gdc s PHE 239 CO 0.01 0.15 0.77 -1.01 -0.05 0.00 0.00 175.22 175.10 3gdc s HIS 240 N -1.95 3.75 -0.10 3.49 3.76 0.13 -1.46 115.29 122.90 3gdc s HIS 240 Ca 0.08 1.50 0.01 0.00 -0.15 0.00 0.00 55.06 56.49 3gdc s HIS 240 Cb -0.06 -2.82 -0.02 0.00 1.11 0.00 0.00 32.58 30.79 3gdc s HIS 240 CO 0.03 0.29 -0.12 -0.47 -0.85 0.00 0.00 174.74 173.62 3gdc s TYR 241 N -0.13 2.81 -0.41 1.40 5.04 -0.16 -0.95 117.35 124.94 3gdc s TYR 241 Ca 0.39 -0.42 0.04 0.00 -2.44 0.00 0.00 57.07 54.63 3gdc s TYR 241 Cb -0.21 -1.78 0.11 0.00 0.35 0.00 0.00 41.96 40.43 3gdc s TYR 241 CO 0.23 -0.04 0.13 0.71 -1.34 0.00 0.00 175.55 175.25 3gdc s TYR 242 N -0.04 3.40 0.06 4.97 2.02 0.30 -1.00 117.35 127.06 3gdc s TYR 242 Ca -0.02 -2.99 -0.34 0.00 -0.37 0.00 0.00 57.07 53.34 3gdc s TYR 242 Cb -0.14 -2.80 -0.14 0.00 -0.40 0.00 0.00 41.96 38.49 3gdc s TYR 242 CO 0.04 -0.87 1.65 -2.30 -1.57 0.00 0.00 175.55 172.50 3gdc n PRO 243 N 3.84 2.02 -0.64 -1.71 -0.02 -1.26 -0.93 135.00 136.29 3gdc n PRO 243 Ca 0.04 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3gdc n PRO 243 Cb 0.38 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 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 3.87 0.00 -1.74 3.45 -1.04 0.11 -3.11 114.28 115.82 3gdc n THR 244 Ca 0.19 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 62.03 3gdc n THR 244 Cb 0.27 -0.53 -0.06 0.00 -1.82 0.00 0.00 70.33 68.20 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 -1.51 1.09 0.16 3.41 0.00 -0.11 -0.55 105.19 107.67 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 -2.56 0.00 -4.37 2.61 -2.24 -1.18 -3.95 114.28 102.58 3gdc n THR 246 Ca -0.18 -0.08 -0.24 0.00 -2.27 0.00 0.00 64.05 61.28 3gdc n THR 246 Cb 0.59 0.44 -0.13 0.00 -2.10 0.00 0.00 70.33 69.13 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 -2.72 1.16 0.17 -0.78 1.00 -1.26 -4.94 119.30 111.93 3gdc s MET 247 Ca 0.18 -1.07 0.25 0.00 0.00 0.00 0.00 55.69 55.05 3gdc s MET 247 Cb 0.18 -1.36 0.50 0.00 0.00 0.00 0.00 34.83 34.15 3gdc s MET 247 CO 0.61 0.33 1.48 -0.07 0.00 0.00 0.00 175.02 177.37 3gdc h LEU 248 N 4.34 0.00 -9.44 -0.03 3.38 -2.00 -3.44 115.31 108.11 3gdc h LEU 248 Ca -0.44 -0.12 -0.67 0.00 0.09 0.00 0.00 57.88 56.74 3gdc h LEU 248 Cb 1.18 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.82 3gdc h LEU 248 CO 0.41 0.06 -0.54 0.28 0.09 0.00 0.00 178.44 178.74 3gdc s THR 249 N -3.15 5.01 0.54 0.22 -1.32 -1.26 -5.11 115.64 110.56 3gdc s THR 249 Ca 0.08 0.02 -0.18 0.00 -1.21 0.00 0.00 61.69 60.40 3gdc s THR 249 Cb 0.13 -3.17 -0.06 0.00 -1.51 0.00 0.00 72.50 67.88 3gdc s THR 249 CO 0.68 0.59 1.05 -2.16 -2.21 0.00 0.00 174.62 172.57 3gdc s PRO 250 N -0.78 3.58 -0.04 7.08 0.04 -1.26 -4.92 135.00 138.71 3gdc s PRO 250 Ca 0.13 1.29 0.12 0.00 0.04 0.00 0.00 61.00 62.58 3gdc s PRO 250 Cb -0.12 -2.07 -0.23 0.00 0.04 0.00 0.00 34.50 32.13 3gdc s PRO 250 CO 0.03 -0.61 0.69 0.66 0.04 0.00 0.00 177.00 177.81 3gdc h SER 251 N 1.03 0.00 -5.06 6.66 4.64 -1.47 -3.49 113.55 115.86 3gdc h SER 251 Ca -0.48 -0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 60.70 3gdc h SER 251 Cb 1.22 -0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.13 3gdc h SER 251 CO 0.58 1.01 -0.48 -1.61 -0.87 0.00 0.00 176.83 175.46 3gdc s GLU 252 N -2.60 0.59 -0.21 4.77 2.02 -1.20 -5.01 118.70 117.07 3gdc s GLU 252 Ca -0.04 -0.64 0.00 0.00 0.02 0.00 0.00 54.97 54.31 3gdc s GLU 252 Cb 0.08 0.24 0.05 0.00 0.10 0.00 0.00 34.13 34.60 3gdc s GLU 252 CO 0.82 -0.15 -0.06 -0.47 0.02 0.00 0.00 175.26 175.42 3gdc s TYR 253 N -2.31 2.14 0.33 1.61 5.04 -1.26 -0.99 117.35 121.91 3gdc s TYR 253 Ca -0.07 -1.49 -0.18 0.00 -2.44 0.00 0.00 57.07 52.88 3gdc s TYR 253 Cb -0.03 -1.49 0.04 0.00 0.35 0.00 0.00 41.96 40.83 3gdc s TYR 253 CO -0.03 -0.72 0.75 -0.08 -1.34 0.00 0.00 175.55 174.14 3gdc s THR 254 N 1.48 0.00 -0.82 4.34 -1.32 -0.54 -4.94 115.64 113.85 3gdc s THR 254 Ca -0.03 -1.00 0.08 0.00 -1.21 0.00 0.00 61.69 59.53 3gdc s THR 254 Cb -0.17 -2.41 0.01 0.00 -1.51 0.00 0.00 72.50 68.42 3gdc s THR 254 CO -0.07 0.00 0.61 -0.90 -2.21 0.00 0.00 174.62 172.05 3gdc n ASP 255 N -0.91 1.23 -3.76 8.08 5.68 -1.26 -0.43 116.55 125.19 3gdc n ASP 255 Ca -0.06 -1.12 -0.15 0.00 -0.50 0.00 0.00 54.79 52.96 3gdc n ASP 255 Cb 0.59 0.35 -0.16 0.00 -1.14 0.00 0.00 41.12 40.77 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 -1.07 -0.06 0.06 2.12 2.01 -1.26 -2.43 115.64 115.02 3gdc s THR 256 Ca 0.07 0.22 0.03 0.00 0.31 0.00 0.00 61.69 62.32 3gdc s THR 256 Cb 0.07 -0.14 -0.03 0.00 0.01 0.00 0.00 72.50 72.41 3gdc s THR 256 CO 0.18 0.09 -0.08 -0.51 -0.69 0.00 0.00 174.62 173.60 3gdc s ILE 257 N 1.18 0.65 0.16 1.82 1.10 -0.47 -4.99 121.20 120.65 3gdc s ILE 257 Ca -0.08 -1.30 0.11 0.00 -0.51 0.00 0.00 60.65 58.87 3gdc s ILE 257 Cb -0.12 -0.90 -0.04 0.00 0.15 0.00 0.00 42.46 41.54 3gdc s ILE 257 CO -0.04 -0.47 -0.23 -0.94 -2.11 0.00 0.00 174.94 171.15 3gdc s SER 258 N -1.92 3.51 -0.10 4.50 1.04 -1.26 -1.34 113.70 118.11 3gdc s SER 258 Ca -0.04 -0.77 -0.06 0.00 0.48 0.00 0.00 55.95 55.56 3gdc s SER 258 Cb -0.07 -0.31 0.04 0.00 0.10 0.00 0.00 66.02 65.79 3gdc s SER 258 CO -0.00 0.15 0.25 -1.10 0.98 0.00 0.00 173.24 173.51 3gdc s GLN 259 N -2.41 0.22 0.84 4.02 -0.21 -0.62 -4.99 119.66 116.51 3gdc s GLN 259 Ca 0.18 0.50 -0.12 0.00 0.02 0.00 0.00 55.36 55.95 3gdc s GLN 259 Cb -0.09 -0.08 0.12 0.00 1.00 0.00 0.00 33.01 33.97 3gdc s GLN 259 CO 0.09 -0.14 1.19 0.14 -2.12 0.00 0.00 175.29 174.45 3gdc s VAL 260 N 1.07 2.05 0.22 1.09 -7.23 -1.26 -0.86 120.40 115.49 3gdc s VAL 260 Ca -0.08 -0.08 -0.32 0.00 -1.81 0.00 0.00 61.98 59.69 3gdc s VAL 260 Cb -0.09 -2.97 -0.12 0.00 0.56 0.00 0.00 36.38 33.76 3gdc s VAL 260 CO -0.07 0.00 1.64 1.67 -0.31 0.00 0.00 175.10 178.03 3gdc n GLN 261 N -3.39 2.59 0.00 4.82 7.27 -1.26 -1.64 117.38 125.76 3gdc n GLN 261 Ca 0.11 0.93 0.00 0.00 0.07 0.00 0.00 57.00 58.11 3gdc n GLN 261 Cb 0.60 -2.73 0.00 0.00 2.41 0.00 0.00 30.24 30.52 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 3.29 1.84 3.85 1.69 0.00 -0.53 -5.04 105.19 110.30 3gdc n GLY 262 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.68 4.00 0.11 1.61 -0.21 -0.65 -4.94 119.66 118.89 3gdc s GLN 263 Ca 0.00 0.79 -0.26 0.00 0.02 0.00 0.00 55.36 55.91 3gdc s GLN 263 Cb 0.00 -2.31 0.07 0.00 1.00 0.00 0.00 33.01 31.78 3gdc s GLN 263 CO 0.00 -0.01 0.87 -0.98 -2.12 0.00 0.00 175.29 173.05 3gdc s ARG 264 N -3.43 1.14 0.07 2.91 3.03 -1.26 -1.98 118.95 119.43 3gdc s ARG 264 Ca 0.56 -0.55 -0.25 0.00 2.03 0.00 0.00 55.73 57.51 3gdc s ARG 264 Cb -0.10 0.44 0.09 0.00 -1.03 0.00 0.00 34.95 34.35 3gdc s ARG 264 CO 0.22 -0.52 1.18 0.20 -1.13 0.00 0.00 175.30 175.25 3gdc s GLY 265 N -2.76 0.00 -0.12 3.88 0.00 -0.32 0.04 107.32 108.03 3gdc s GLY 265 Ca 0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 44.72 44.61 3gdc s GLY 265 CO -0.03 4.50 -0.05 -0.42 0.00 0.00 0.00 173.10 177.10 3gdc s ILE 266 N -2.04 3.83 -0.08 0.90 1.01 -0.34 -0.76 121.20 123.72 3gdc s ILE 266 Ca 0.27 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.53 3gdc s ILE 266 Cb -0.02 -2.64 -0.03 0.00 0.01 0.00 0.00 42.46 39.79 3gdc s ILE 266 CO 0.02 0.53 -0.09 -0.76 0.00 0.00 0.00 174.94 174.65 3gdc s LEU 267 N -0.06 3.02 -0.07 2.97 1.43 0.20 -0.54 118.68 125.64 3gdc s LEU 267 Ca 0.01 -0.11 0.03 0.00 -1.03 0.00 0.00 54.13 53.03 3gdc s LEU 267 Cb -0.13 -1.66 0.01 0.00 0.03 0.00 0.00 46.19 44.43 3gdc s LEU 267 CO 0.03 0.31 -0.16 -1.61 0.23 0.00 0.00 176.35 175.15 3gdc s GLU 268 N -0.50 2.00 0.16 1.70 2.02 -0.13 -0.41 118.70 123.54 3gdc s GLU 268 Ca 0.07 -0.56 -0.19 0.00 0.02 0.00 0.00 54.97 54.32 3gdc s GLU 268 Cb -0.12 -1.62 0.04 0.00 0.10 0.00 0.00 34.13 32.53 3gdc s GLU 268 CO 0.02 0.11 0.51 -0.48 0.02 0.00 0.00 175.26 175.44 3gdc s LEU 269 N 0.44 -0.02 -0.11 1.80 2.34 -0.67 -0.69 118.68 121.77 3gdc s LEU 269 Ca -0.13 -0.27 0.01 0.00 0.06 0.00 0.00 54.13 53.80 3gdc s LEU 269 Cb -0.15 2.19 0.02 0.00 -0.56 0.00 0.00 46.19 47.69 3gdc s LEU 269 CO 0.04 -0.96 -0.13 -0.13 -1.06 0.00 0.00 176.35 174.12 3gdc s ARG 270 N -3.81 1.95 -0.29 1.48 0.52 -1.26 -0.69 118.95 116.84 3gdc s ARG 270 Ca 0.04 -0.45 -0.29 0.00 -0.52 0.00 0.00 55.73 54.51 3gdc s ARG 270 Cb -0.00 -1.75 0.01 0.00 0.52 0.00 0.00 34.95 33.74 3gdc s ARG 270 CO -0.09 -0.12 1.09 -0.06 0.02 0.00 0.00 175.30 176.14 3gdc s PHE 271 N 1.18 3.15 -0.87 -0.53 0.08 -1.26 -4.84 117.98 114.88 3gdc s PHE 271 Ca -0.04 1.23 0.27 0.00 0.12 0.00 0.00 56.93 58.51 3gdc s PHE 271 Cb -0.14 -3.61 0.87 0.00 -0.57 0.00 0.00 43.02 39.56 3gdc s PHE 271 CO -0.04 -0.80 1.71 -0.35 -0.10 0.00 0.00 175.22 175.65 3gdc n PRO 272 N 6.77 0.11 -4.25 0.24 -0.04 -1.26 0.06 135.00 136.63 3gdc n PRO 272 Ca 0.12 0.07 -0.17 0.00 -0.04 0.00 0.00 63.50 63.48 3gdc n PRO 272 Cb 0.47 -1.61 -0.13 0.00 -0.04 0.00 0.00 33.50 32.18 3gdc n PRO 272 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3gdc s TYR 273 N -3.05 0.87 0.71 0.54 2.02 -1.26 -4.87 117.35 112.31 3gdc s TYR 273 Ca 0.11 -0.30 -0.11 0.00 -0.37 0.00 0.00 57.07 56.40 3gdc s TYR 273 Cb 0.16 -0.53 0.02 0.00 -0.40 0.00 0.00 41.96 41.20 3gdc s TYR 273 CO 0.60 -0.01 1.08 -1.25 -1.57 0.00 0.00 175.55 174.40 3gdc s PRO 274 N -0.87 2.82 0.00 -1.71 0.04 -1.26 -4.83 135.00 129.19 3gdc s PRO 274 Ca -0.01 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.70 3gdc s PRO 274 Cb -0.06 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.48 3gdc s PRO 274 CO 0.00 -1.11 0.00 0.41 0.04 0.00 0.00 177.00 176.34 3gdc n GLY 275 N -2.50 0.40 3.68 0.56 0.00 -0.22 -4.92 105.19 102.20 3gdc n GLY 275 Ca 0.07 -2.25 -0.37 0.00 0.00 0.00 0.00 46.02 43.46 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 -0.39 4.18 -0.15 1.61 1.02 -1.26 -0.66 119.74 124.10 3gdc s LYS 276 Ca 0.00 0.10 0.00 0.00 0.02 0.00 0.00 55.97 56.09 3gdc s LYS 276 Cb 0.00 -3.51 0.02 0.00 -0.52 0.00 0.00 37.83 33.83 3gdc s LYS 276 CO 0.00 0.05 -0.13 -0.06 -0.92 0.00 0.00 175.35 174.29 3gdc s PHE 277 N 1.04 2.09 0.43 3.18 0.08 -0.28 -4.96 117.98 119.56 3gdc s PHE 277 Ca 0.16 -1.18 -0.25 0.00 0.12 0.00 0.00 56.93 55.78 3gdc s PHE 277 Cb -0.14 -1.55 -0.08 0.00 -0.57 0.00 0.00 43.02 40.68 3gdc s PHE 277 CO 0.06 -0.65 1.30 1.41 -0.10 0.00 0.00 175.22 177.24 3gdc s MET 278 N 1.51 3.82 0.03 0.44 -2.45 -1.26 -0.56 119.30 120.83 3gdc s MET 278 Ca 0.04 2.13 0.03 0.00 -1.25 0.00 0.00 55.69 56.64 3gdc s MET 278 Cb -0.13 -2.64 -0.02 0.00 1.25 0.00 0.00 34.83 33.29 3gdc s MET 278 CO -0.10 -0.61 -0.09 -0.59 1.05 0.00 0.00 175.02 174.68 3gdc s PHE 279 N -1.30 0.78 -0.14 4.11 -0.12 0.19 -0.58 117.98 120.92 3gdc s PHE 279 Ca 0.60 -0.37 -0.34 0.00 -0.05 0.00 0.00 56.93 56.76 3gdc s PHE 279 Cb -0.37 -0.47 0.14 0.00 -0.63 0.00 0.00 43.02 41.69 3gdc s PHE 279 CO 0.47 -0.03 1.34 -3.38 -0.05 0.00 0.00 175.22 173.58 3gdc s HIS 280 N -0.98 -0.04 0.32 3.49 -3.43 -0.76 0.15 115.29 114.05 3gdc s HIS 280 Ca -0.04 -0.00 -0.29 0.00 -0.80 0.00 0.00 55.06 53.92 3gdc s HIS 280 Cb -0.08 0.52 -0.11 0.00 -1.43 0.00 0.00 32.58 31.48 3gdc s HIS 280 CO 0.01 -0.12 1.57 0.00 -2.00 0.00 0.00 174.74 174.20 3gdc s ALA 281 N -2.20 3.69 -1.97 -1.38 0.00 -1.11 -0.91 121.76 117.88 3gdc s ALA 281 Ca 0.13 1.59 0.06 0.00 0.00 0.00 0.00 51.96 53.73 3gdc s ALA 281 Cb 0.03 -3.64 0.16 0.00 0.00 0.00 0.00 23.12 19.67 3gdc s ALA 281 CO -0.04 -1.02 1.13 1.58 0.00 0.00 0.00 175.76 177.40 3gdc n HIS 282 N 1.59 0.25 -3.08 0.00 -0.00 -1.26 -4.47 115.22 108.25 3gdc n HIS 282 Ca 0.06 -0.12 -0.43 0.00 0.46 0.00 0.00 57.72 57.68 3gdc n HIS 282 Cb 0.38 -0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.19 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 -1.75 3.17 0.25 1.57 2.47 -1.26 -4.97 119.74 119.22 3gdc s LYS 283 Ca 0.12 -0.75 -0.03 0.00 -1.56 0.00 0.00 55.97 53.75 3gdc s LYS 283 Cb 0.06 -4.09 0.48 0.00 -1.46 0.00 0.00 37.83 32.83 3gdc s LYS 283 CO 0.08 -1.28 1.74 1.15 0.16 0.00 0.00 175.35 177.20 3gdc h THR 284 N 5.90 0.69 -0.34 3.43 2.02 -2.01 -1.30 112.91 121.30 3gdc h THR 284 Ca -0.27 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 66.70 3gdc h THR 284 Cb 1.09 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 3gdc h THR 284 CO 0.99 0.09 0.08 1.05 0.37 0.00 0.00 175.52 178.11 3gdc h GLU 285 N 0.52 0.50 -0.29 6.66 4.11 -1.93 -2.13 114.58 122.02 3gdc h GLU 285 Ca 0.43 -0.08 -0.09 0.00 0.07 0.00 0.00 59.36 59.69 3gdc h GLU 285 Cb 0.63 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 3gdc h GLU 285 CO -0.38 0.47 -0.16 0.74 0.07 0.00 0.00 179.01 179.74 3gdc h PHE 286 N 0.49 0.72 -0.30 2.06 0.04 -1.61 -2.92 116.94 115.43 3gdc h PHE 286 Ca 0.12 -0.19 -0.00 0.00 2.80 0.00 0.00 57.97 60.69 3gdc h PHE 286 Cb 0.20 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.17 3gdc h PHE 286 CO 0.01 0.87 0.17 0.00 -0.60 0.00 0.00 178.31 178.76 3gdc h ALA 287 N 0.74 0.38 0.00 2.45 0.00 -1.25 -1.85 119.26 119.74 3gdc h ALA 287 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gdc h ALA 287 Cb 0.69 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3gdc h ALA 287 CO 0.05 -0.10 0.00 0.39 0.00 0.00 0.00 179.25 179.59 3gdc n GLU 288 N -4.82 0.15 -0.36 0.00 1.02 -0.83 -2.25 120.64 113.54 3gdc n GLU 288 Ca -0.02 0.39 0.08 0.00 -0.02 0.00 0.00 57.16 57.59 3gdc n GLU 288 Cb 0.07 -1.79 0.23 0.00 -0.02 0.00 0.00 31.44 29.93 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 -2.07 3.60 0.00 -4.62 4.77 -0.99 -4.96 117.00 112.73 3gdc n LEU 289 Ca 0.02 -2.69 0.00 0.00 -0.03 0.00 0.00 56.01 53.32 3gdc n LEU 289 Cb 0.21 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 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 -0.16 1.22 3.09 -0.72 0.00 -0.95 -1.39 105.19 106.27 3gdc n GLY 290 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 3.69 -3.66 1.61 -0.00 -0.73 -0.96 117.44 117.39 3gdc n TRP 291 Ca 0.00 -3.00 -0.12 0.00 -0.00 0.00 0.00 57.50 54.39 3gdc n TRP 291 Cb 0.00 -2.04 -0.08 0.00 -0.00 0.00 0.00 31.31 29.19 3gdc n TRP 291 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 177.69 179.10 3gdc s MET 292 N 0.86 0.70 0.34 5.87 1.75 -1.26 -2.75 119.30 124.81 3gdc s MET 292 Ca 0.41 0.96 -0.10 0.00 -1.25 0.00 0.00 55.69 55.71 3gdc s MET 292 Cb 0.05 0.27 0.04 0.00 2.84 0.00 0.00 34.83 38.03 3gdc s MET 292 CO 0.00 -0.11 0.62 0.41 -0.65 0.00 0.00 175.02 175.29 3gdc n GLY 293 N 3.27 1.42 3.26 2.11 0.00 0.12 -4.09 105.19 111.27 3gdc n GLY 293 Ca -0.16 -1.32 -0.24 0.00 0.00 0.00 0.00 46.02 44.30 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 -3.09 1.71 -0.10 1.61 0.08 -0.57 -0.64 117.98 116.98 3gdc s PHE 294 Ca 0.17 -0.41 -0.13 0.00 0.12 0.00 0.00 56.93 56.68 3gdc s PHE 294 Cb -0.03 -0.96 -0.05 0.00 -0.57 0.00 0.00 43.02 41.41 3gdc s PHE 294 CO 0.13 0.16 0.30 -0.06 -0.10 0.00 0.00 175.22 175.65 3gdc s PHE 295 N -1.09 3.57 -0.37 0.36 0.08 0.28 -0.86 117.98 119.95 3gdc s PHE 295 Ca 0.06 0.71 -0.08 0.00 0.12 0.00 0.00 56.93 57.74 3gdc s PHE 295 Cb -0.10 -2.25 0.05 0.00 -0.57 0.00 0.00 43.02 40.15 3gdc s PHE 295 CO 0.03 0.45 0.17 -2.00 -0.10 0.00 0.00 175.22 173.77 3gdc s GLU 296 N -0.27 2.60 -0.31 0.44 2.56 0.12 -1.13 118.70 122.70 3gdc s GLU 296 Ca 0.19 -1.29 -0.14 0.00 0.00 0.00 0.00 54.97 53.73 3gdc s GLU 296 Cb -0.14 -3.59 -0.02 0.00 2.00 0.00 0.00 34.13 32.38 3gdc s GLU 296 CO 0.07 -0.78 0.33 0.08 -0.56 0.00 0.00 175.26 174.40 3gdc s VAL 297 N 1.41 5.20 -2.58 3.70 1.01 0.17 -1.47 120.40 127.84 3gdc s VAL 297 Ca 0.01 0.18 0.27 0.00 0.00 0.00 0.00 61.98 62.44 3gdc s VAL 297 Cb -0.21 -3.74 0.49 0.00 0.00 0.00 0.00 36.38 32.93 3gdc s VAL 297 CO 0.03 0.03 1.67 -1.54 0.00 0.00 0.00 175.10 175.29