#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gcu s PRO 6 N 0.00 -0.06 -0.18 -0.14 0.02 -1.26 -5.04 135.00 128.35 3gcu s PRO 6 Ca 0.00 -0.15 -0.19 0.00 0.02 0.00 0.00 61.00 60.68 3gcu s PRO 6 Cb 0.00 -1.74 -0.03 0.00 0.02 0.00 0.00 34.50 32.75 3gcu s PRO 6 CO 0.00 -2.92 0.53 0.99 -0.33 0.00 0.00 177.00 175.27 3gcu s THR 7 N -3.42 5.11 0.06 0.99 2.01 -1.26 -5.00 115.64 114.13 3gcu s THR 7 Ca 0.71 1.00 -0.05 0.00 0.31 0.00 0.00 61.69 63.66 3gcu s THR 7 Cb -0.08 -3.86 -0.05 0.00 0.01 0.00 0.00 72.50 68.53 3gcu s THR 7 CO 0.54 0.20 0.29 -0.36 -0.69 0.00 0.00 174.62 174.60 3gcu s PHE 8 N 1.42 3.54 0.21 4.92 0.40 -1.26 -0.05 117.98 127.14 3gcu s PHE 8 Ca 0.26 0.50 0.08 0.00 -0.60 0.00 0.00 56.93 57.17 3gcu s PHE 8 Cb -0.15 -1.95 -0.05 0.00 0.51 0.00 0.00 43.02 41.38 3gcu s PHE 8 CO 0.10 0.56 -0.15 1.52 0.70 0.00 0.00 175.22 177.95 3gcu s TYR 9 N -1.44 1.74 -0.06 0.36 -0.85 -0.30 -4.88 117.35 111.92 3gcu s TYR 9 Ca 0.33 -0.55 0.03 0.00 -0.52 0.00 0.00 57.07 56.36 3gcu s TYR 9 Cb -0.13 -0.81 0.01 0.00 0.38 0.00 0.00 41.96 41.41 3gcu s TYR 9 CO 0.21 0.37 -0.15 0.50 -1.52 0.00 0.00 175.55 174.96 3gcu s ARG 10 N -3.57 1.86 0.16 -3.49 3.52 -1.26 -2.18 118.95 113.98 3gcu s ARG 10 Ca 0.22 -0.53 -0.08 0.00 -0.13 0.00 0.00 55.73 55.22 3gcu s ARG 10 Cb -0.01 -1.54 -0.01 0.00 -1.56 0.00 0.00 34.95 31.82 3gcu s ARG 10 CO 0.07 0.12 0.25 1.14 -0.81 0.00 0.00 175.30 176.07 3gcu s GLN 11 N 0.41 1.11 -0.05 5.12 -2.07 -0.75 -5.00 119.66 118.41 3gcu s GLN 11 Ca -0.11 -1.19 0.02 0.00 -1.82 0.00 0.00 55.36 52.26 3gcu s GLN 11 Cb -0.14 0.36 -0.03 0.00 -1.09 0.00 0.00 33.01 32.11 3gcu s GLN 11 CO 0.04 -0.39 -0.10 -2.00 -1.32 0.00 0.00 175.29 171.52 3gcu s GLU 12 N -3.97 2.63 -0.21 9.60 2.12 -1.26 -0.34 118.70 127.27 3gcu s GLU 12 Ca 0.17 -0.62 -0.05 0.00 0.36 0.00 0.00 54.97 54.83 3gcu s GLU 12 Cb 0.04 -2.49 0.07 0.00 0.26 0.00 0.00 34.13 32.01 3gcu s GLU 12 CO -0.01 0.64 0.10 -0.51 -0.54 0.00 0.00 175.26 174.95 3gcu s LEU 13 N -0.83 0.40 -1.08 2.70 1.43 0.73 -4.90 118.68 117.13 3gcu s LEU 13 Ca 0.12 -0.81 -0.14 0.00 -1.03 0.00 0.00 54.13 52.28 3gcu s LEU 13 Cb -0.11 -0.27 -0.03 0.00 0.03 0.00 0.00 46.19 45.81 3gcu s LEU 13 CO 0.01 -0.38 0.84 0.59 0.23 0.00 0.00 176.35 177.65 3gcu n ASN 14 N 5.27 -5.99 -2.28 2.29 3.02 -1.26 -2.61 115.26 113.70 3gcu n ASN 14 Ca -0.07 -0.85 -0.17 0.00 -0.03 0.00 0.00 54.58 53.47 3gcu n ASN 14 Cb 0.47 -4.18 -0.02 0.00 -0.61 0.00 0.00 39.78 35.44 3gcu n ASN 14 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 3gcu n LYS 15 N -3.65 -1.87 -4.21 3.52 0.00 -1.26 -4.98 118.16 105.71 3gcu n LYS 15 Ca -0.08 0.83 -0.17 0.00 -0.00 0.00 0.00 58.31 58.89 3gcu n LYS 15 Cb 0.60 -5.41 -0.15 0.00 -0.00 0.00 0.00 35.03 30.07 3gcu n LYS 15 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 3gcu s THR 16 N -2.76 0.49 -0.05 0.58 -1.32 -1.07 -5.14 115.64 106.36 3gcu s THR 16 Ca 0.00 -0.25 -0.24 0.00 -1.21 0.00 0.00 61.69 59.99 3gcu s THR 16 Cb 0.00 -0.42 -0.04 0.00 -1.51 0.00 0.00 72.50 70.53 3gcu s THR 16 CO 0.00 0.14 0.73 -0.63 -2.21 0.00 0.00 174.62 172.66 3gcu s ILE 17 N -0.05 5.00 -0.26 5.08 -1.09 -1.26 -0.20 121.20 128.43 3gcu s ILE 17 Ca 0.01 1.52 0.03 0.00 -2.23 0.00 0.00 60.65 59.98 3gcu s ILE 17 Cb -0.03 -4.07 0.06 0.00 -1.58 0.00 0.00 42.46 36.83 3gcu s ILE 17 CO -0.00 0.26 -0.11 0.26 -1.23 0.00 0.00 174.94 174.11 3gcu s TRP 18 N 0.72 3.20 -0.26 3.97 0.52 0.54 -4.97 118.94 122.66 3gcu s TRP 18 Ca 0.39 -2.27 0.01 0.00 0.02 0.00 0.00 56.10 54.24 3gcu s TRP 18 Cb -0.18 -1.91 0.05 0.00 -1.15 0.00 0.00 33.47 30.28 3gcu s TRP 18 CO 0.20 -0.87 -0.09 -2.00 0.02 0.00 0.00 176.95 174.21 3gcu s GLU 19 N 1.12 2.49 -0.04 4.98 2.12 -1.26 -1.82 118.70 126.30 3gcu s GLU 19 Ca -0.08 -1.19 -0.07 0.00 0.36 0.00 0.00 54.97 53.99 3gcu s GLU 19 Cb -0.20 -2.93 0.01 0.00 0.26 0.00 0.00 34.13 31.27 3gcu s GLU 19 CO -0.05 -0.50 0.17 0.08 -0.54 0.00 0.00 175.26 174.41 3gcu s VAL 20 N 1.20 0.03 0.62 3.70 1.01 -0.93 -4.58 120.40 121.46 3gcu s VAL 20 Ca -0.05 -0.21 -0.19 0.00 0.00 0.00 0.00 61.98 61.53 3gcu s VAL 20 Cb -0.18 -0.31 -0.02 0.00 0.00 0.00 0.00 36.38 35.87 3gcu s VAL 20 CO -0.05 -0.12 1.32 -2.84 0.00 0.00 0.00 175.10 173.41 3gcu s PRO 21 N -0.37 2.69 0.56 2.72 0.02 -1.26 -1.15 135.00 138.21 3gcu s PRO 21 Ca -0.05 2.12 0.32 0.00 0.02 0.00 0.00 61.00 63.42 3gcu s PRO 21 Cb -0.03 -1.95 1.46 0.00 0.02 0.00 0.00 34.50 34.00 3gcu s PRO 21 CO 0.01 -1.51 1.81 0.93 -0.33 0.00 0.00 177.00 177.91 3gcu h GLU 22 N 0.77 0.00 0.00 5.54 5.08 -0.81 -2.26 114.58 122.90 3gcu h GLU 22 Ca -0.51 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.83 3gcu h GLU 22 Cb 1.33 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.58 3gcu h GLU 22 CO 0.54 0.00 -0.09 0.07 -1.00 0.00 0.00 179.01 178.53 3gcu h ARG 23 N 0.00 0.00 -5.29 2.33 0.11 -1.90 -3.40 114.38 106.23 3gcu h ARG 23 Ca 0.42 0.00 -0.61 0.00 0.10 0.00 0.00 59.98 59.88 3gcu h ARG 23 Cb 1.86 0.00 -0.13 0.00 1.11 0.00 0.00 29.97 32.81 3gcu h ARG 23 CO -0.00 0.09 -0.26 0.71 0.10 0.00 0.00 179.97 180.61 3gcu s TYR 24 N -4.52 3.33 0.36 4.08 1.51 -0.85 -0.50 117.35 120.76 3gcu s TYR 24 Ca -0.04 0.50 0.06 0.00 -1.01 0.00 0.00 57.07 56.58 3gcu s TYR 24 Cb 0.15 -2.50 -0.07 0.00 -0.11 0.00 0.00 41.96 39.43 3gcu s TYR 24 CO 0.61 -0.06 0.00 -0.65 -1.11 0.00 0.00 175.55 174.35 3gcu s GLN 25 N 1.49 1.81 -1.48 -0.62 -1.52 0.33 -4.83 119.66 114.84 3gcu s GLN 25 Ca 0.16 -2.00 -0.06 0.00 -1.95 0.00 0.00 55.36 51.51 3gcu s GLN 25 Cb -0.15 -1.37 0.05 0.00 -0.22 0.00 0.00 33.01 31.32 3gcu s GLN 25 CO 0.08 -0.06 0.62 0.09 -0.25 0.00 0.00 175.29 175.77 3gcu n ASN 26 N -0.83 -1.72 -4.71 5.90 3.02 -1.26 -0.47 115.26 115.20 3gcu n ASN 26 Ca -0.04 -0.95 -0.42 0.00 -0.03 0.00 0.00 54.58 53.14 3gcu n ASN 26 Cb 0.66 -3.25 -0.03 0.00 -0.61 0.00 0.00 39.78 36.55 3gcu n ASN 26 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3gcu s LEU 27 N -7.04 4.37 -0.11 3.41 1.02 -1.26 -4.51 118.68 114.57 3gcu s LEU 27 Ca 0.26 2.75 -0.03 0.00 0.02 0.00 0.00 54.13 57.13 3gcu s LEU 27 Cb -0.14 -3.59 0.04 0.00 0.02 0.00 0.00 46.19 42.53 3gcu s LEU 27 CO 0.88 -0.93 0.05 -0.55 0.02 0.00 0.00 176.35 175.82 3gcu s SER 28 N 1.51 1.90 0.15 2.29 0.15 -0.10 -4.98 113.70 114.61 3gcu s SER 28 Ca 0.74 -0.31 -0.34 0.00 0.70 0.00 0.00 55.95 56.74 3gcu s SER 28 Cb -0.47 -0.34 -0.15 0.00 -1.71 0.00 0.00 66.02 63.36 3gcu s SER 28 CO 0.32 -0.27 1.41 -2.65 1.20 0.00 0.00 173.24 173.25 3gcu n PRO 29 N 5.20 1.63 0.00 5.44 -0.02 -1.26 -0.65 135.00 145.33 3gcu n PRO 29 Ca -0.06 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3gcu n PRO 29 Cb 0.49 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 3gcu n PRO 29 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3gcu n VAL 30 N 2.58 0.71 0.00 -1.45 0.24 0.22 -4.78 118.33 115.86 3gcu n VAL 30 Ca 0.16 -0.76 0.00 0.00 -2.04 0.00 0.00 64.34 61.70 3gcu n VAL 30 Cb 0.25 0.67 0.00 0.00 -1.47 0.00 0.00 33.84 33.29 3gcu n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gcu n GLY 31 N -0.35 4.12 3.37 7.63 0.00 -1.17 -4.93 105.19 113.86 3gcu n GLY 31 Ca 0.00 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.35 3gcu n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gcu s SER 32 N 0.00 0.02 0.00 1.61 1.04 -1.26 0.53 113.70 115.64 3gcu s SER 32 Ca 0.00 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.50 3gcu s SER 32 Cb 0.00 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.58 3gcu s SER 32 CO 0.00 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 173.89 3gcu n GLY 33 N -0.25 -1.16 0.00 7.32 0.00 0.53 -4.85 105.19 106.77 3gcu n GLY 33 Ca -0.05 -0.95 0.06 0.00 0.00 0.00 0.00 46.02 45.08 3gcu n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gcu n ALA 34 N 0.00 1.89 -0.05 4.61 0.00 -0.46 -2.38 120.51 124.12 3gcu n ALA 34 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 53.44 53.35 3gcu n ALA 34 Cb 0.00 -1.20 -0.12 0.00 0.00 0.00 0.00 19.45 18.13 3gcu n ALA 34 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 3gcu n TYR 35 N -1.09 0.00 0.00 0.00 0.18 0.94 -4.73 117.16 112.47 3gcu n TYR 35 Ca 0.08 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.86 3gcu n TYR 35 Cb 0.06 -0.61 0.00 0.00 -0.38 0.00 0.00 39.34 38.41 3gcu n TYR 35 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3gcu n GLY 36 N 1.94 -0.40 3.23 -7.48 0.00 -1.00 -2.53 105.19 98.94 3gcu n GLY 36 Ca -0.17 -1.18 -0.22 0.00 0.00 0.00 0.00 46.02 44.45 3gcu n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gcu s SER 37 N 0.00 2.19 -0.05 1.61 0.01 -0.84 -0.35 113.70 116.27 3gcu s SER 37 Ca 0.00 -0.62 0.06 0.00 1.31 0.00 0.00 55.95 56.70 3gcu s SER 37 Cb 0.00 -0.12 -0.01 0.00 0.21 0.00 0.00 66.02 66.10 3gcu s SER 37 CO 0.00 0.03 -0.23 -0.69 0.41 0.00 0.00 173.24 172.76 3gcu s VAL 38 N -1.11 1.90 -0.09 3.43 1.01 0.19 -0.97 120.40 124.76 3gcu s VAL 38 Ca 0.04 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.03 3gcu s VAL 38 Cb -0.10 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 3gcu s VAL 38 CO 0.03 0.53 -0.09 0.00 0.00 0.00 0.00 175.10 175.57 3gcu s ALA 40 N -0.37 3.12 0.14 0.00 0.00 0.17 -0.13 121.76 124.70 3gcu s ALA 40 Ca 0.05 1.07 -0.09 0.00 0.00 0.00 0.00 51.96 52.99 3gcu s ALA 40 Cb -0.12 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 3gcu s ALA 40 CO 0.02 -0.71 0.26 0.00 0.00 0.00 0.00 175.76 175.34 3gcu s ALA 41 N -1.39 -0.06 -0.28 0.00 0.00 0.95 -0.93 121.76 120.05 3gcu s ALA 41 Ca 0.60 -0.81 -0.10 0.00 0.00 0.00 0.00 51.96 51.64 3gcu s ALA 41 Cb -0.33 0.77 -0.04 0.00 0.00 0.00 0.00 23.12 23.51 3gcu s ALA 41 CO 0.41 -0.61 0.17 0.12 0.00 0.00 0.00 175.76 175.85 3gcu s PHE 42 N -3.94 3.20 -0.70 0.00 5.36 0.38 -1.02 117.98 121.25 3gcu s PHE 42 Ca 0.14 -0.01 -0.24 0.00 -0.96 0.00 0.00 56.93 55.86 3gcu s PHE 42 Cb 0.04 -2.36 0.06 0.00 -0.34 0.00 0.00 43.02 40.41 3gcu s PHE 42 CO -0.03 -0.21 1.08 0.34 -1.46 0.00 0.00 175.22 174.94 3gcu s ASP 43 N 1.73 6.19 0.47 6.13 3.68 -0.35 -0.51 116.67 134.02 3gcu s ASP 43 Ca 0.07 -0.88 0.13 0.00 2.13 0.00 0.00 52.55 54.00 3gcu s ASP 43 Cb -0.16 -2.47 1.10 0.00 -1.45 0.00 0.00 42.92 39.95 3gcu s ASP 43 CO 0.10 -1.55 2.09 0.71 0.13 0.00 0.00 175.17 176.65 3gcu h THR 44 N 6.01 1.02 -0.62 1.71 1.35 -1.10 0.58 112.91 121.85 3gcu h THR 44 Ca -0.26 -0.08 -0.02 0.00 -0.55 0.00 0.00 66.41 65.50 3gcu h THR 44 Cb 1.06 0.75 -0.03 0.00 -1.73 0.00 0.00 68.15 68.20 3gcu h THR 44 CO 1.22 0.04 0.29 0.50 -0.25 0.00 0.00 175.52 177.32 3gcu h LYS 45 N 0.24 0.88 0.00 4.72 3.64 -1.92 -3.35 116.57 120.78 3gcu h LYS 45 Ca 0.09 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 3gcu h LYS 45 Cb 0.08 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 3gcu h LYS 45 CO -0.02 0.69 -1.28 0.25 -2.27 0.00 0.00 179.45 176.81 3gcu n THR 46 N -4.35 0.12 -0.98 1.00 -2.24 -0.66 -5.01 114.28 102.16 3gcu n THR 46 Ca 0.06 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3gcu n THR 46 Cb 0.14 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 3gcu n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gcu n GLY 47 N 2.35 0.88 3.83 3.38 0.00 0.19 -5.04 105.19 110.79 3gcu n GLY 47 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 3gcu n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gcu s LEU 48 N 0.00 4.12 0.17 0.99 1.43 -1.25 -4.84 118.68 119.30 3gcu s LEU 48 Ca 0.00 1.47 -0.30 0.00 -1.03 0.00 0.00 54.13 54.27 3gcu s LEU 48 Cb 0.00 -4.08 -0.07 0.00 0.03 0.00 0.00 46.19 42.07 3gcu s LEU 48 CO 0.00 -0.18 1.14 -0.13 0.23 0.00 0.00 176.35 177.42 3gcu s ARG 49 N -2.71 4.54 0.18 1.70 1.81 -1.26 -1.21 118.95 122.00 3gcu s ARG 49 Ca 0.53 1.78 0.08 0.00 -1.72 0.00 0.00 55.73 56.40 3gcu s ARG 49 Cb -0.12 -3.27 -0.04 0.00 -0.45 0.00 0.00 34.95 31.06 3gcu s ARG 49 CO 0.18 -0.02 -0.17 0.14 -0.68 0.00 0.00 175.30 174.75 3gcu s VAL 50 N -0.03 1.79 -0.19 3.52 -7.23 -0.19 -1.35 120.40 116.72 3gcu s VAL 50 Ca 0.52 -2.03 -0.07 0.00 -1.81 0.00 0.00 61.98 58.59 3gcu s VAL 50 Cb -0.30 -1.91 -0.04 0.00 0.56 0.00 0.00 36.38 34.69 3gcu s VAL 50 CO 0.35 -0.42 0.06 0.00 -0.31 0.00 0.00 175.10 174.78 3gcu s ALA 51 N -2.39 3.38 -0.28 1.32 0.00 0.10 -0.04 121.76 123.86 3gcu s ALA 51 Ca 0.18 -0.77 -0.03 0.00 0.00 0.00 0.00 51.96 51.33 3gcu s ALA 51 Cb -0.04 -1.93 0.03 0.00 0.00 0.00 0.00 23.12 21.18 3gcu s ALA 51 CO 0.07 0.13 0.00 0.08 0.00 0.00 0.00 175.76 176.04 3gcu s VAL 52 N 0.46 3.24 -0.32 0.00 1.01 0.82 -1.31 120.40 124.29 3gcu s VAL 52 Ca 0.03 -1.03 -0.14 0.00 0.00 0.00 0.00 61.98 60.84 3gcu s VAL 52 Cb -0.13 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 3gcu s VAL 52 CO 0.01 0.07 0.32 -0.75 0.00 0.00 0.00 175.10 174.74 3gcu s LYS 53 N 1.36 3.66 -0.29 2.72 2.20 0.25 -1.37 119.74 128.26 3gcu s LYS 53 Ca -0.01 -0.39 -0.20 0.00 -0.36 0.00 0.00 55.97 55.02 3gcu s LYS 53 Cb -0.18 -3.77 -0.01 0.00 -1.51 0.00 0.00 37.83 32.36 3gcu s LYS 53 CO -0.01 -0.43 0.61 0.21 -0.36 0.00 0.00 175.35 175.37 3gcu s LYS 54 N 1.93 3.95 0.33 4.03 2.20 -0.14 -0.12 119.74 131.92 3gcu s LYS 54 Ca 0.10 0.33 -0.29 0.00 -0.36 0.00 0.00 55.97 55.76 3gcu s LYS 54 Cb -0.17 -3.71 -0.10 0.00 -1.51 0.00 0.00 37.83 32.34 3gcu s LYS 54 CO 0.11 -0.52 1.37 -0.51 -0.36 0.00 0.00 175.35 175.44 3gcu s LEU 55 N 2.54 4.40 -0.16 5.43 1.43 -0.69 -1.98 118.68 129.65 3gcu s LEU 55 Ca 0.25 2.77 -0.24 0.00 -1.03 0.00 0.00 54.13 55.87 3gcu s LEU 55 Cb -0.15 -3.65 -0.02 0.00 0.03 0.00 0.00 46.19 42.40 3gcu s LEU 55 CO 0.11 -0.64 0.78 -0.55 0.23 0.00 0.00 176.35 176.28 3gcu s SER 56 N -0.28 6.92 -1.38 2.29 0.15 -1.05 -4.34 113.70 116.01 3gcu s SER 56 Ca 0.51 1.12 -0.12 0.00 0.70 0.00 0.00 55.95 58.17 3gcu s SER 56 Cb -0.42 -2.43 0.01 0.00 -1.71 0.00 0.00 66.02 61.47 3gcu s SER 56 CO 0.54 -0.34 0.38 0.54 1.20 0.00 0.00 173.24 175.56 3gcu n ARG 57 N 5.02 -1.38 0.20 5.44 1.74 -1.26 -4.80 116.66 121.62 3gcu n ARG 57 Ca 0.03 0.21 0.14 0.00 -0.77 0.00 0.00 57.85 57.46 3gcu n ARG 57 Cb 0.49 -3.60 0.76 0.00 -1.02 0.00 0.00 32.46 29.09 3gcu n ARG 57 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3gcu h PRO 58 N -2.04 0.00 0.00 5.56 0.13 -1.80 -2.80 132.00 131.04 3gcu h PRO 58 Ca -0.67 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.46 3gcu h PRO 58 Cb 1.39 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.51 3gcu h PRO 58 CO 0.61 0.00 -0.17 1.19 -0.23 0.00 0.00 178.00 179.40 3gcu n PHE 59 N -4.14 0.00 0.27 1.56 3.72 -1.26 -0.89 117.46 116.72 3gcu n PHE 59 Ca 0.01 -0.81 0.12 0.00 -0.05 0.00 0.00 57.45 56.72 3gcu n PHE 59 Cb 0.25 -0.14 0.07 0.00 -0.94 0.00 0.00 39.48 38.73 3gcu n PHE 59 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 3gcu h GLN 60 N 0.09 0.00 -5.01 -1.08 4.20 -1.87 -3.46 115.11 107.98 3gcu h GLN 60 Ca -0.01 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.38 3gcu h GLN 60 Cb 1.11 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.74 3gcu h GLN 60 CO 0.00 0.00 -0.70 -1.54 -0.67 0.00 0.00 178.83 175.92 3gcu s SER 61 N -5.07 1.70 0.17 1.46 1.04 -1.26 -5.04 113.70 106.69 3gcu s SER 61 Ca 0.02 -1.06 -0.09 0.00 0.48 0.00 0.00 55.95 55.31 3gcu s SER 61 Cb 0.10 0.01 0.04 0.00 0.10 0.00 0.00 66.02 66.27 3gcu s SER 61 CO 0.76 -0.39 1.54 -0.29 0.98 0.00 0.00 173.24 175.83 3gcu h ILE 62 N 2.74 1.27 -0.54 -1.02 2.10 -1.95 0.79 117.51 120.91 3gcu h ILE 62 Ca -0.37 -1.46 -0.08 0.00 1.08 0.00 0.00 64.86 64.04 3gcu h ILE 62 Cb 1.19 1.27 -0.02 0.00 -1.09 0.00 0.00 36.82 38.17 3gcu h ILE 62 CO 0.64 0.49 0.03 -0.29 -1.08 0.00 0.00 178.15 177.94 3gcu h ILE 63 N 0.77 1.25 0.20 2.19 6.09 -1.97 -1.01 117.51 125.03 3gcu h ILE 63 Ca 0.08 -1.03 -0.01 0.00 -1.37 0.00 0.00 64.86 62.53 3gcu h ILE 63 Cb 0.87 0.80 0.00 0.00 0.47 0.00 0.00 36.82 38.96 3gcu h ILE 63 CO 0.08 0.37 -0.10 0.45 -3.07 0.00 0.00 178.15 175.88 3gcu h HIS 64 N 0.84 -0.25 -0.92 2.19 3.86 -1.78 -1.05 115.15 118.04 3gcu h HIS 64 Ca 0.16 -0.01 0.23 0.00 -1.16 0.00 0.00 60.37 59.60 3gcu h HIS 64 Cb 0.46 0.08 -0.13 0.00 1.06 0.00 0.00 27.41 28.89 3gcu h HIS 64 CO 0.03 0.04 0.44 0.00 0.86 0.00 0.00 177.93 179.29 3gcu h ALA 65 N 0.21 1.53 -0.05 2.45 0.00 0.11 0.67 119.26 124.17 3gcu h ALA 65 Ca -0.03 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3gcu h ALA 65 Cb 0.40 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3gcu h ALA 65 CO 0.04 -0.34 -0.10 -0.22 0.00 0.00 0.00 179.25 178.63 3gcu h LYS 66 N 0.43 0.16 -0.98 0.00 3.64 -1.14 -2.70 116.57 115.99 3gcu h LYS 66 Ca 0.58 -0.11 0.06 0.00 -1.27 0.00 0.00 60.65 59.92 3gcu h LYS 66 Cb 1.12 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.89 3gcu h LYS 66 CO -0.52 0.69 0.64 0.00 -2.27 0.00 0.00 179.45 177.98 3gcu h ARG 67 N -0.34 1.13 -0.14 1.90 3.08 -0.61 -0.89 114.38 118.51 3gcu h ARG 67 Ca 0.00 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 3gcu h ARG 67 Cb 0.68 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 3gcu h ARG 67 CO 0.02 0.75 0.09 1.15 -1.07 0.00 0.00 179.97 180.91 3gcu h THR 68 N 1.16 1.06 -0.21 2.04 2.02 -0.83 -1.17 112.91 116.98 3gcu h THR 68 Ca 0.42 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.41 3gcu h THR 68 Cb 0.15 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 3gcu h THR 68 CO -0.16 0.06 -0.00 0.22 0.37 0.00 0.00 175.52 176.01 3gcu h TYR 69 N 0.16 0.40 -0.14 3.16 5.03 -1.11 -2.51 116.97 121.96 3gcu h TYR 69 Ca 0.05 -0.07 0.04 0.00 2.58 0.00 0.00 58.73 61.33 3gcu h TYR 69 Cb 0.02 -0.10 -0.04 0.00 1.55 0.00 0.00 36.73 38.16 3gcu h TYR 69 CO -0.06 0.56 -0.08 -0.09 -1.32 0.00 0.00 178.16 177.17 3gcu h ARG 70 N 0.13 -0.07 0.09 1.82 2.43 -1.11 -0.89 114.38 116.77 3gcu h ARG 70 Ca 0.06 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3gcu h ARG 70 Cb 0.40 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3gcu h ARG 70 CO 0.01 -0.05 -0.04 1.49 -1.51 0.00 0.00 179.97 179.87 3gcu h GLU 71 N -0.08 -0.11 0.12 0.20 4.81 -1.21 -0.32 114.58 117.99 3gcu h GLU 71 Ca 0.08 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3gcu h GLU 71 Cb 0.20 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.61 3gcu h GLU 71 CO -0.19 -0.07 -0.06 1.25 -0.73 0.00 0.00 179.01 179.21 3gcu h LEU 72 N -0.11 -0.14 -0.53 1.64 6.46 -1.34 -0.24 115.31 121.06 3gcu h LEU 72 Ca -0.01 -0.04 0.08 0.00 -0.12 0.00 0.00 57.88 57.79 3gcu h LEU 72 Cb 0.09 0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 39.99 3gcu h LEU 72 CO 0.02 -0.05 0.18 -0.09 -0.62 0.00 0.00 178.44 177.88 3gcu h ARG 73 N -0.21 0.35 0.44 1.25 2.43 -1.16 -1.01 114.38 116.46 3gcu h ARG 73 Ca -0.02 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 3gcu h ARG 73 Cb 0.17 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3gcu h ARG 73 CO 0.03 0.23 -0.21 1.25 -1.51 0.00 0.00 179.97 179.76 3gcu h LEU 74 N 0.36 -0.50 -1.17 3.80 5.85 -0.92 -3.18 115.31 119.55 3gcu h LEU 74 Ca 0.26 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.88 3gcu h LEU 74 Cb 0.30 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 3gcu h LEU 74 CO -0.27 -0.30 -0.18 -0.07 -0.34 0.00 0.00 178.44 177.28 3gcu h LEU 75 N -0.66 0.34 -2.28 2.25 3.38 -0.82 -0.30 115.31 117.21 3gcu h LEU 75 Ca -0.06 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.85 3gcu h LEU 75 Cb 0.49 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3gcu h LEU 75 CO 0.10 0.55 0.12 0.11 0.09 0.00 0.00 178.44 179.40 3gcu h LYS 76 N 0.33 0.00 -0.27 1.13 1.57 -1.22 -2.69 116.57 115.42 3gcu h LYS 76 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3gcu h LYS 76 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3gcu h LYS 76 CO 0.03 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.63 3gcu n HIS 77 N -3.92 0.34 -3.22 -1.35 8.25 -0.15 -4.88 115.22 110.30 3gcu n HIS 77 Ca -0.00 -0.24 -0.44 0.00 -0.26 0.00 0.00 57.72 56.78 3gcu n HIS 77 Cb 0.22 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.26 3gcu n HIS 77 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3gcu s MET 78 N -1.23 3.07 -0.51 -0.41 -1.94 -1.01 -4.74 119.30 112.52 3gcu s MET 78 Ca 0.28 -1.11 0.04 0.00 -1.71 0.00 0.00 55.69 53.19 3gcu s MET 78 Cb 0.16 -4.14 0.17 0.00 2.01 0.00 0.00 34.83 33.04 3gcu s MET 78 CO 0.23 -1.22 0.39 0.15 -0.01 0.00 0.00 175.02 174.56 3gcu s LYS 79 N 2.33 1.43 -0.18 2.03 1.02 -1.26 -4.42 119.74 120.68 3gcu s LYS 79 Ca 0.11 -2.52 -0.20 0.00 0.02 0.00 0.00 55.97 53.38 3gcu s LYS 79 Cb -0.22 -2.09 0.05 0.00 -0.52 0.00 0.00 37.83 35.06 3gcu s LYS 79 CO 0.09 -1.35 0.55 -1.58 -0.92 0.00 0.00 175.35 172.14 3gcu s HIS 80 N -0.44 -0.58 0.46 3.18 2.46 -1.26 -5.06 115.29 114.06 3gcu s HIS 80 Ca 0.30 1.36 0.15 0.00 0.47 0.00 0.00 55.06 57.34 3gcu s HIS 80 Cb 0.01 0.22 1.11 0.00 -0.13 0.00 0.00 32.58 33.79 3gcu s HIS 80 CO -0.19 -0.33 2.04 0.93 -2.47 0.00 0.00 174.74 174.72 3gcu h GLU 81 N 4.94 0.27 -0.53 2.88 3.07 -1.97 -2.55 114.58 120.69 3gcu h GLU 81 Ca -0.28 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.56 3gcu h GLU 81 Cb 1.17 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.02 3gcu h GLU 81 CO 0.20 0.18 0.00 0.09 -1.40 0.00 0.00 179.01 178.07 3gcu n ASN 82 N -4.47 4.96 -4.02 1.42 4.13 -1.26 -4.68 115.26 111.34 3gcu n ASN 82 Ca 0.06 -2.76 -0.18 0.00 1.68 0.00 0.00 54.58 53.37 3gcu n ASN 82 Cb 0.29 -0.61 -0.15 0.00 -1.54 0.00 0.00 39.78 37.78 3gcu n ASN 82 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3gcu s VAL 83 N -2.43 0.69 0.26 2.41 1.01 -0.96 -0.68 120.40 120.70 3gcu s VAL 83 Ca 0.50 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.76 3gcu s VAL 83 Cb 0.36 -0.59 -0.14 0.00 0.00 0.00 0.00 36.38 36.02 3gcu s VAL 83 CO 0.17 0.17 1.25 0.00 0.00 0.00 0.00 175.10 176.69 3gcu n ILE 84 N 2.79 1.39 -4.38 2.22 0.13 -0.39 -4.55 119.36 116.56 3gcu n ILE 84 Ca -0.14 -0.35 -0.24 0.00 -1.10 0.00 0.00 62.75 60.93 3gcu n ILE 84 Cb 0.57 -1.27 -0.09 0.00 -0.84 0.00 0.00 39.64 38.01 3gcu n ILE 84 CO 0.00 0.00 0.00 -0.83 2.80 0.00 0.00 176.55 178.52 3gcu s GLY 85 N -0.08 1.80 -0.27 4.50 0.00 -1.26 -4.79 107.32 107.22 3gcu s GLY 85 Ca 0.64 -1.79 -0.19 0.00 0.00 0.00 0.00 44.72 43.39 3gcu s GLY 85 CO 0.55 -1.85 0.56 -2.27 0.00 0.00 0.00 173.10 170.09 3gcu s LEU 86 N -3.60 4.08 0.00 0.66 0.20 -1.26 -4.63 118.68 114.14 3gcu s LEU 86 Ca 0.31 0.53 -0.04 0.00 0.69 0.00 0.00 54.13 55.63 3gcu s LEU 86 Cb -0.05 -2.74 -0.28 0.00 -0.43 0.00 0.00 46.19 42.69 3gcu s LEU 86 CO 0.17 -0.35 0.86 -0.07 -0.29 0.00 0.00 176.35 176.67 3gcu h LEU 87 N 8.89 0.41 -7.00 -0.68 4.07 -1.44 -3.41 115.31 116.16 3gcu h LEU 87 Ca -0.28 -0.56 0.01 0.00 0.08 0.00 0.00 57.88 57.13 3gcu h LEU 87 Cb 1.13 -0.13 -0.19 0.00 1.08 0.00 0.00 40.66 42.55 3gcu h LEU 87 CO 0.75 1.47 0.35 -0.62 -1.08 0.00 0.00 178.44 179.30 3gcu s ASP 88 N -7.01 -0.52 -0.01 -0.43 3.68 -1.09 -4.52 116.67 106.77 3gcu s ASP 88 Ca -0.09 0.42 -0.01 0.00 2.13 0.00 0.00 52.55 55.00 3gcu s ASP 88 Cb 0.07 0.45 0.01 0.00 -1.45 0.00 0.00 42.92 42.00 3gcu s ASP 88 CO 0.85 -0.58 0.03 0.54 0.13 0.00 0.00 175.17 176.15 3gcu s VAL 89 N -1.80 -0.01 0.26 1.11 0.11 -1.26 -0.82 120.40 117.99 3gcu s VAL 89 Ca -0.04 0.05 -0.08 0.00 -2.93 0.00 0.00 61.98 58.98 3gcu s VAL 89 Cb -0.00 -0.06 -0.01 0.00 -1.53 0.00 0.00 36.38 34.77 3gcu s VAL 89 CO 0.01 0.02 0.40 0.72 -3.33 0.00 0.00 175.10 172.93 3gcu s PHE 90 N 0.27 0.72 -0.11 1.54 -0.12 -0.85 -5.01 117.98 114.42 3gcu s PHE 90 Ca -0.02 -1.02 -0.10 0.00 -0.05 0.00 0.00 56.93 55.74 3gcu s PHE 90 Cb -0.03 -0.05 0.03 0.00 -0.63 0.00 0.00 43.02 42.34 3gcu s PHE 90 CO -0.01 -0.95 0.29 -0.08 -0.05 0.00 0.00 175.22 174.42 3gcu s THR 91 N -3.80 0.00 0.42 -4.49 -1.32 -1.26 -1.24 115.64 103.95 3gcu s THR 91 Ca 0.28 -0.03 0.29 0.00 -1.21 0.00 0.00 61.69 61.02 3gcu s THR 91 Cb 0.01 -0.42 0.31 0.00 -1.51 0.00 0.00 72.50 70.89 3gcu s THR 91 CO 0.13 -0.02 2.10 1.55 -2.21 0.00 0.00 174.62 176.17 3gcu h PRO 92 N 5.59 0.00 -6.97 7.08 0.13 -1.81 -3.45 132.00 132.57 3gcu h PRO 92 Ca -0.26 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.33 3gcu h PRO 92 Cb 1.19 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.43 3gcu h PRO 92 CO 0.33 0.09 0.69 0.00 -0.23 0.00 0.00 178.00 178.88 3gcu s ALA 93 N -4.19 3.31 -0.70 -0.56 0.00 -1.26 -4.95 121.76 113.41 3gcu s ALA 93 Ca -0.03 1.43 0.20 0.00 0.00 0.00 0.00 51.96 53.56 3gcu s ALA 93 Cb 0.13 -3.57 -0.25 0.00 0.00 0.00 0.00 23.12 19.43 3gcu s ALA 93 CO 0.57 -1.07 0.75 2.89 0.00 0.00 0.00 175.76 178.89 3gcu n ARG 94 N 0.02 0.40 -3.97 0.00 0.00 -1.26 -4.99 116.66 106.86 3gcu n ARG 94 Ca 0.04 -0.05 -0.11 0.00 -0.00 0.00 0.00 57.85 57.72 3gcu n ARG 94 Cb 0.42 -1.47 -0.02 0.00 -0.00 0.00 0.00 32.46 31.39 3gcu n ARG 94 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 3gcu s SER 95 N -3.33 0.32 0.41 2.89 1.04 -1.26 -5.06 113.70 108.71 3gcu s SER 95 Ca 0.03 -1.19 0.13 0.00 0.48 0.00 0.00 55.95 55.40 3gcu s SER 95 Cb 0.15 0.71 0.87 0.00 0.10 0.00 0.00 66.02 67.84 3gcu s SER 95 CO 0.84 -1.38 1.92 0.25 0.98 0.00 0.00 173.24 175.85 3gcu h LEU 96 N 2.10 0.03 -0.56 2.42 5.85 -1.96 -3.00 115.31 120.19 3gcu h LEU 96 Ca -0.28 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.35 3gcu h LEU 96 Cb 1.25 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 3gcu h LEU 96 CO 0.37 0.28 0.02 -0.33 -0.34 0.00 0.00 178.44 178.45 3gcu h GLU 97 N 0.03 0.98 -0.02 1.25 3.07 -2.02 -3.00 114.58 114.88 3gcu h GLU 97 Ca 0.00 -0.30 0.00 0.00 -0.50 0.00 0.00 59.36 58.57 3gcu h GLU 97 Cb 0.45 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 3gcu h GLU 97 CO 0.03 0.97 0.00 0.39 -1.40 0.00 0.00 179.01 179.00 3gcu n GLU 98 N -4.27 1.43 -2.45 2.33 1.02 -1.18 -4.88 120.64 112.64 3gcu n GLU 98 Ca 0.02 -0.62 -0.41 0.00 -0.02 0.00 0.00 57.16 56.13 3gcu n GLU 98 Cb 0.32 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.23 3gcu n GLU 98 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3gcu s PHE 99 N -1.99 2.26 0.00 -0.32 5.36 -1.14 -4.67 117.98 117.48 3gcu s PHE 99 Ca 0.41 0.25 0.00 0.00 -0.96 0.00 0.00 56.93 56.63 3gcu s PHE 99 Cb 0.21 -4.49 0.00 0.00 -0.34 0.00 0.00 43.02 38.40 3gcu s PHE 99 CO 0.34 -2.01 0.08 0.09 -1.46 0.00 0.00 175.22 172.26 3gcu n ASN 100 N 9.69 0.16 -3.91 6.13 3.02 -1.26 -5.05 115.26 124.04 3gcu n ASN 100 Ca 0.08 -0.85 -0.17 0.00 -0.03 0.00 0.00 54.58 53.61 3gcu n ASN 100 Cb 0.49 0.03 -0.15 0.00 -0.61 0.00 0.00 39.78 39.54 3gcu n ASN 100 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3gcu s ASP 101 N -0.03 0.65 -0.01 6.41 1.01 -1.26 -4.56 116.67 118.87 3gcu s ASP 101 Ca 0.00 -0.09 0.04 0.00 0.71 0.00 0.00 52.55 53.21 3gcu s ASP 101 Cb 0.00 -0.21 -0.01 0.00 1.01 0.00 0.00 42.92 43.71 3gcu s ASP 101 CO 0.00 -0.01 -0.14 0.54 0.21 0.00 0.00 175.17 175.78 3gcu s VAL 102 N 0.43 1.08 -0.05 -1.27 0.11 -1.26 -4.49 120.40 114.94 3gcu s VAL 102 Ca -0.05 -0.57 0.05 0.00 -2.93 0.00 0.00 61.98 58.47 3gcu s VAL 102 Cb -0.08 -0.91 -0.00 0.00 -1.53 0.00 0.00 36.38 33.86 3gcu s VAL 102 CO -0.00 0.31 -0.19 -0.31 -3.33 0.00 0.00 175.10 171.57 3gcu s TYR 103 N -0.25 1.93 -0.06 1.54 1.51 -0.38 -1.70 117.35 119.94 3gcu s TYR 103 Ca 0.04 -0.60 0.03 0.00 -1.01 0.00 0.00 57.07 55.53 3gcu s TYR 103 Cb -0.06 -1.30 -0.03 0.00 -0.11 0.00 0.00 41.96 40.47 3gcu s TYR 103 CO -0.00 -0.21 -0.14 -0.51 -1.11 0.00 0.00 175.55 173.58 3gcu s LEU 104 N 0.07 2.76 -0.05 -1.29 1.43 0.83 -2.01 118.68 120.42 3gcu s LEU 104 Ca -0.06 -0.19 0.04 0.00 -1.03 0.00 0.00 54.13 52.88 3gcu s LEU 104 Cb -0.13 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.52 3gcu s LEU 104 CO 0.03 0.33 -0.15 -0.69 0.23 0.00 0.00 176.35 176.10 3gcu s VAL 105 N -0.65 1.30 0.17 -1.59 1.01 -0.00 0.85 120.40 121.49 3gcu s VAL 105 Ca 0.10 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.40 3gcu s VAL 105 Cb -0.11 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 3gcu s VAL 105 CO 0.01 0.38 0.20 0.42 0.00 0.00 0.00 175.10 176.11 3gcu s THR 106 N 0.23 0.05 0.31 3.92 -4.23 -0.43 -1.00 115.64 114.49 3gcu s THR 106 Ca -0.07 -1.70 -0.29 0.00 -1.18 0.00 0.00 61.69 58.44 3gcu s THR 106 Cb -0.12 -2.10 -0.11 0.00 1.34 0.00 0.00 72.50 71.51 3gcu s THR 106 CO 0.03 -0.25 1.51 -2.28 -0.54 0.00 0.00 174.62 173.09 3gcu s HIS 107 N -4.04 2.80 0.11 3.99 5.65 -1.26 0.02 115.29 122.55 3gcu s HIS 107 Ca 0.25 0.98 -0.31 0.00 0.25 0.00 0.00 55.06 56.23 3gcu s HIS 107 Cb 0.05 -3.97 -0.08 0.00 -1.18 0.00 0.00 32.58 27.41 3gcu s HIS 107 CO 0.04 -3.09 1.37 -1.17 -0.65 0.00 0.00 174.74 171.24 3gcu s LEU 108 N -0.97 4.37 -0.15 8.88 2.96 -0.46 -4.46 118.68 128.86 3gcu s LEU 108 Ca 0.59 2.29 -0.28 0.00 -0.22 0.00 0.00 54.13 56.50 3gcu s LEU 108 Cb -0.45 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 42.64 3gcu s LEU 108 CO 0.51 -0.63 0.96 -0.32 -1.32 0.00 0.00 176.35 175.55 3gcu s MET 109 N 1.11 4.35 0.00 1.98 -2.45 -1.26 -4.93 119.30 118.10 3gcu s MET 109 Ca 0.64 1.27 0.00 0.00 -1.25 0.00 0.00 55.69 56.35 3gcu s MET 109 Cb -0.36 -3.57 0.00 0.00 1.25 0.00 0.00 34.83 32.15 3gcu s MET 109 CO 0.30 -0.38 0.00 0.41 1.05 0.00 0.00 175.02 176.40 3gcu n GLY 110 N 3.25 -0.56 3.78 2.11 0.00 -1.26 -4.98 105.19 107.52 3gcu n GLY 110 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 3gcu n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gcu s ALA 111 N -3.01 3.57 0.53 4.61 0.00 -1.26 -5.05 121.76 121.15 3gcu s ALA 111 Ca 0.00 -0.88 0.07 0.00 0.00 0.00 0.00 51.96 51.14 3gcu s ALA 111 Cb 0.00 -1.56 0.04 0.00 0.00 0.00 0.00 23.12 21.61 3gcu s ALA 111 CO 0.00 0.69 0.51 0.16 0.00 0.00 0.00 175.76 177.12 3gcu s ASP 112 N -1.77 4.83 0.37 0.00 3.84 -1.26 -1.57 116.67 121.10 3gcu s ASP 112 Ca 0.23 -1.06 0.07 0.00 -0.00 0.00 0.00 52.55 51.79 3gcu s ASP 112 Cb -0.12 0.24 0.72 0.00 -1.38 0.00 0.00 42.92 42.38 3gcu s ASP 112 CO 0.14 -1.11 1.91 0.25 -0.00 0.00 0.00 175.17 176.37 3gcu h LEU 113 N 0.63 0.35 -1.52 2.11 5.85 -0.63 -2.55 115.31 119.56 3gcu h LEU 113 Ca -0.35 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.25 3gcu h LEU 113 Cb 1.29 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 3gcu h LEU 113 CO 0.53 0.45 -0.25 -1.13 -0.34 0.00 0.00 178.44 177.70 3gcu h ASN 114 N 0.36 0.00 0.17 1.25 -1.24 -1.85 -0.57 115.58 113.70 3gcu h ASN 114 Ca 0.08 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.06 3gcu h ASN 114 Cb 0.32 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.36 3gcu h ASN 114 CO 0.01 0.25 -0.15 0.78 -1.29 0.00 0.00 177.43 177.03 3gcu h ASN 115 N 0.00 0.00 0.07 1.15 -0.26 -1.82 -2.73 115.58 111.99 3gcu h ASN 115 Ca -0.00 0.00 -0.22 0.00 -0.56 0.00 0.00 56.30 55.52 3gcu h ASN 115 Cb 0.44 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.69 3gcu h ASN 115 CO 0.03 0.15 -1.12 0.40 -1.06 0.00 0.00 177.43 175.83 3gcu h ILE 116 N 0.00 1.15 0.00 2.81 2.04 -1.14 -3.21 117.51 119.15 3gcu h ILE 116 Ca -0.00 -2.35 -0.03 0.00 1.00 0.00 0.00 64.86 63.48 3gcu h ILE 116 Cb 0.28 2.73 -0.00 0.00 -0.74 0.00 0.00 36.82 39.08 3gcu h ILE 116 CO 0.02 0.60 -0.16 -0.37 0.00 0.00 0.00 178.15 178.24 3gcu h VAL 117 N -0.58 0.75 0.00 1.67 -1.51 -1.31 -2.11 116.25 113.16 3gcu h VAL 117 Ca -0.26 -0.64 0.00 0.00 -1.23 0.00 0.00 66.70 64.58 3gcu h VAL 117 Cb 1.53 1.38 0.00 0.00 -2.13 0.00 0.00 31.29 32.07 3gcu h VAL 117 CO -0.01 0.16 -0.15 0.29 -1.23 0.00 0.00 177.57 176.62 3gcu n LYS 118 N -3.82 0.05 -0.03 5.19 5.02 -1.03 -4.12 118.16 119.42 3gcu n LYS 118 Ca -0.02 0.03 0.05 0.00 -2.02 0.00 0.00 58.31 56.36 3gcu n LYS 118 Cb 0.26 -1.55 -0.16 0.00 -0.02 0.00 0.00 35.03 33.56 3gcu n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gcu s GLN 120 N -3.22 1.23 -0.56 0.00 -2.07 -1.14 -5.11 119.66 108.79 3gcu s GLN 120 Ca -0.08 -0.47 -0.22 0.00 -1.82 0.00 0.00 55.36 52.76 3gcu s GLN 120 Cb 0.12 0.56 0.05 0.00 -1.09 0.00 0.00 33.01 32.65 3gcu s GLN 120 CO 0.86 -0.52 0.85 0.21 -1.32 0.00 0.00 175.29 175.37 3gcu s LYS 121 N -3.62 3.23 0.31 9.60 2.20 -1.26 -4.72 119.74 125.48 3gcu s LYS 121 Ca 0.01 -0.56 -0.29 0.00 -0.36 0.00 0.00 55.97 54.77 3gcu s LYS 121 Cb -0.01 -4.10 -0.10 0.00 -1.51 0.00 0.00 37.83 32.11 3gcu s LYS 121 CO -0.12 -1.47 1.36 -0.51 -0.36 0.00 0.00 175.35 174.26 3gcu s LEU 122 N 3.56 4.41 0.73 5.43 2.01 -1.26 -5.02 118.68 128.53 3gcu s LEU 122 Ca 0.24 2.71 -0.11 0.00 0.01 0.00 0.00 54.13 56.98 3gcu s LEU 122 Cb -0.15 -3.64 0.04 0.00 0.01 0.00 0.00 46.19 42.44 3gcu s LEU 122 CO 0.15 -0.61 1.10 0.42 1.01 0.00 0.00 176.35 178.43 3gcu s THR 123 N -0.82 2.94 0.26 5.49 -4.23 -1.26 -4.90 115.64 113.12 3gcu s THR 123 Ca 0.52 0.24 -0.05 0.00 -1.18 0.00 0.00 61.69 61.21 3gcu s THR 123 Cb -0.41 -3.29 0.26 0.00 1.34 0.00 0.00 72.50 70.40 3gcu s THR 123 CO 0.51 -0.37 1.93 -0.78 -0.54 0.00 0.00 174.62 175.37 3gcu h ASP 124 N -0.74 1.12 0.35 3.99 3.58 -1.97 -1.65 116.42 121.09 3gcu h ASP 124 Ca -0.45 -0.03 -0.12 0.00 0.42 0.00 0.00 57.03 56.85 3gcu h ASP 124 Cb 1.28 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 42.04 3gcu h ASP 124 CO 0.64 0.80 -0.49 -0.78 -2.88 0.00 0.00 179.24 176.53 3gcu h ASP 125 N 1.32 0.18 -0.29 2.28 1.82 -1.99 0.74 116.42 120.49 3gcu h ASP 125 Ca 0.37 -0.09 -0.11 0.00 -0.39 0.00 0.00 57.03 56.81 3gcu h ASP 125 Cb -0.12 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 39.83 3gcu h ASP 125 CO -0.09 0.65 -0.24 -0.74 -1.61 0.00 0.00 179.24 177.22 3gcu h HIS 126 N 0.14 0.79 -0.80 0.28 2.76 -1.83 -1.94 115.15 114.56 3gcu h HIS 126 Ca 0.01 -0.23 -0.00 0.00 -2.20 0.00 0.00 60.37 57.94 3gcu h HIS 126 Cb 0.92 -0.17 -0.04 0.00 1.55 0.00 0.00 27.41 29.67 3gcu h HIS 126 CO 0.01 0.95 0.48 0.28 -1.30 0.00 0.00 177.93 178.35 3gcu h VAL 127 N 0.41 1.22 0.15 5.26 2.07 -0.89 -1.67 116.25 122.81 3gcu h VAL 127 Ca 0.05 -0.49 0.01 0.00 0.82 0.00 0.00 66.70 67.09 3gcu h VAL 127 Cb 0.79 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 3gcu h VAL 127 CO 0.06 0.23 -0.19 1.56 0.02 0.00 0.00 177.57 179.26 3gcu h GLN 128 N 1.09 -0.37 -0.35 1.57 4.20 -0.76 -1.69 115.11 118.80 3gcu h GLN 128 Ca 0.29 0.03 0.01 0.00 0.06 0.00 0.00 58.65 59.03 3gcu h GLN 128 Cb -0.04 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 3gcu h GLN 128 CO -0.05 -0.25 0.22 0.35 -0.67 0.00 0.00 178.83 178.43 3gcu h PHE 129 N -0.38 0.41 0.11 2.96 3.57 -1.24 0.11 116.94 122.48 3gcu h PHE 129 Ca 0.01 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 3gcu h PHE 129 Cb 0.38 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.99 3gcu h PHE 129 CO -0.17 0.25 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.04 3gcu h LEU 130 N 0.45 -0.13 -0.75 0.59 4.07 -1.27 -2.48 115.31 115.79 3gcu h LEU 130 Ca 0.13 -0.12 -0.11 0.00 0.08 0.00 0.00 57.88 57.86 3gcu h LEU 130 Cb -0.03 0.03 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 3gcu h LEU 130 CO -0.04 0.04 -0.24 0.40 -1.08 0.00 0.00 178.44 177.52 3gcu h ILE 131 N -0.29 1.27 -0.33 1.22 1.08 -1.29 -1.91 117.51 117.26 3gcu h ILE 131 Ca -0.02 -1.33 0.07 0.00 -0.39 0.00 0.00 64.86 63.20 3gcu h ILE 131 Cb 0.24 1.26 -0.08 0.00 -3.07 0.00 0.00 36.82 35.17 3gcu h ILE 131 CO 0.03 0.44 -0.21 0.22 -0.69 0.00 0.00 178.15 177.94 3gcu h TYR 132 N 0.60 -0.53 -0.41 1.37 3.20 -0.81 -1.38 116.97 119.02 3gcu h TYR 132 Ca 0.08 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.93 3gcu h TYR 132 Cb 0.72 0.28 -0.02 0.00 1.54 0.00 0.00 36.73 39.26 3gcu h TYR 132 CO 0.03 -0.28 -0.03 1.96 -1.64 0.00 0.00 178.16 178.20 3gcu h GLN 133 N -0.16 0.67 -0.43 1.82 4.20 -1.18 0.44 115.11 120.46 3gcu h GLN 133 Ca 0.17 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3gcu h GLN 133 Cb 0.42 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 3gcu h GLN 133 CO -0.43 0.71 0.27 0.82 -0.67 0.00 0.00 178.83 179.53 3gcu h ILE 134 N 0.63 1.13 -0.02 2.54 2.04 -0.92 -2.03 117.51 120.88 3gcu h ILE 134 Ca 0.12 -0.26 -0.11 0.00 1.00 0.00 0.00 64.86 65.61 3gcu h ILE 134 Cb 0.44 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3gcu h ILE 134 CO 0.02 0.12 -0.51 -0.07 0.00 0.00 0.00 178.15 177.71 3gcu h LEU 135 N 0.58 0.05 -0.06 1.44 3.38 -0.75 0.60 115.31 120.54 3gcu h LEU 135 Ca 0.16 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 3gcu h LEU 135 Cb -0.03 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3gcu h LEU 135 CO -0.03 0.55 -0.14 -0.09 0.09 0.00 0.00 178.44 178.82 3gcu h ARG 136 N 0.04 0.20 -0.84 1.13 2.43 -0.68 0.27 114.38 116.93 3gcu h ARG 136 Ca -0.00 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.00 3gcu h ARG 136 Cb 0.92 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.45 3gcu h ARG 136 CO 0.07 0.73 0.42 0.78 -1.51 0.00 0.00 179.97 180.47 3gcu h GLY 137 N -0.30 1.29 1.17 2.80 0.00 -1.30 -2.85 103.07 103.87 3gcu h GLY 137 Ca -0.00 -0.62 -0.10 0.00 0.00 0.00 0.00 47.33 46.61 3gcu h GLY 137 CO 0.03 0.59 -0.05 -2.00 0.00 0.00 0.00 176.54 175.11 3gcu h LEU 138 N 1.19 0.97 -0.73 3.11 5.85 -0.84 0.49 115.31 125.35 3gcu h LEU 138 Ca 0.29 -0.29 0.08 0.00 0.84 0.00 0.00 57.88 58.80 3gcu h LEU 138 Cb 0.09 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 40.79 3gcu h LEU 138 CO -0.04 1.05 0.40 0.50 -0.34 0.00 0.00 178.44 180.01 3gcu h LYS 139 N 0.89 0.68 -0.11 1.25 3.64 -0.83 0.89 116.57 122.98 3gcu h LYS 139 Ca 0.15 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 3gcu h LYS 139 Cb 0.59 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3gcu h LYS 139 CO 0.04 0.45 -0.01 -0.92 -2.27 0.00 0.00 179.45 176.73 3gcu h TYR 140 N 0.70 0.22 -0.10 1.91 3.20 -1.24 -1.39 116.97 120.27 3gcu h TYR 140 Ca 0.35 -0.04 0.02 0.00 3.14 0.00 0.00 58.73 62.19 3gcu h TYR 140 Cb 0.29 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 3gcu h TYR 140 CO -0.08 0.47 -0.03 0.82 -1.64 0.00 0.00 178.16 177.70 3gcu h ILE 141 N -0.09 0.90 -0.45 1.81 2.04 -0.52 -2.93 117.51 118.28 3gcu h ILE 141 Ca 0.03 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.87 3gcu h ILE 141 Cb 0.39 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 3gcu h ILE 141 CO 0.01 0.00 0.19 0.45 0.00 0.00 0.00 178.15 178.80 3gcu h HIS 142 N -0.00 0.62 0.00 1.37 3.86 -0.84 -1.81 115.15 118.35 3gcu h HIS 142 Ca 0.05 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3gcu h HIS 142 Cb 0.08 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.35 3gcu h HIS 142 CO -0.15 0.48 0.00 0.66 0.86 0.00 0.00 177.93 179.78 3gcu h SER 143 N 0.63 0.00 -0.10 2.45 4.64 -1.06 0.15 113.55 120.26 3gcu h SER 143 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3gcu h SER 143 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3gcu h SER 143 CO -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.94 3gcu n ALA 144 N -1.99 2.55 -2.05 5.18 0.00 -0.69 -4.66 120.51 118.84 3gcu n ALA 144 Ca -0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 53.44 52.90 3gcu n ALA 144 Cb 0.21 -1.15 -0.01 0.00 0.00 0.00 0.00 19.45 18.49 3gcu n ALA 144 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3gcu n ASP 145 N 0.09 -3.54 -4.72 0.00 4.64 0.54 -4.37 116.55 109.19 3gcu n ASP 145 Ca 0.17 0.03 -0.35 0.00 -1.38 0.00 0.00 54.79 53.26 3gcu n ASP 145 Cb 0.29 -2.66 -0.09 0.00 -1.04 0.00 0.00 41.12 37.63 3gcu n ASP 145 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3gcu s ILE 146 N -2.49 4.80 -0.14 5.18 -1.09 -1.14 -4.76 121.20 121.57 3gcu s ILE 146 Ca 0.00 -0.05 -0.05 0.00 -2.23 0.00 0.00 60.65 58.32 3gcu s ILE 146 Cb 0.00 -3.09 -0.03 0.00 -1.58 0.00 0.00 42.46 37.76 3gcu s ILE 146 CO 0.00 0.57 0.02 -0.63 -1.23 0.00 0.00 174.94 173.67 3gcu s ILE 147 N -0.55 4.45 -0.02 2.92 1.01 -1.26 -3.87 121.20 123.89 3gcu s ILE 147 Ca 0.11 -0.17 -0.25 0.00 0.00 0.00 0.00 60.65 60.34 3gcu s ILE 147 Cb -0.12 -2.94 -0.18 0.00 0.01 0.00 0.00 42.46 39.22 3gcu s ILE 147 CO 0.02 0.53 1.21 -0.74 0.00 0.00 0.00 174.94 175.96 3gcu h HIS 148 N 6.09 -0.13 0.00 3.97 -0.00 -1.96 -3.47 115.15 119.64 3gcu h HIS 148 Ca -0.41 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.96 3gcu h HIS 148 Cb 1.18 0.04 0.00 0.00 -0.00 0.00 0.00 27.41 28.64 3gcu h HIS 148 CO 0.59 0.29 0.00 0.54 -0.00 0.00 0.00 177.93 179.35 3gcu n ARG 149 N -4.94 0.00 -2.53 5.26 1.74 -1.26 -4.74 116.66 110.19 3gcu n ARG 149 Ca -0.09 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.90 3gcu n ARG 149 Cb 0.25 -1.12 0.04 0.00 -1.02 0.00 0.00 32.46 30.60 3gcu n ARG 149 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3gcu n ASP 150 N 0.00 2.85 -4.70 0.55 4.64 -1.26 -4.98 116.55 113.65 3gcu n ASP 150 Ca 0.00 -2.70 -0.42 0.00 -1.38 0.00 0.00 54.79 50.29 3gcu n ASP 150 Cb 0.00 -0.43 -0.03 0.00 -1.04 0.00 0.00 41.12 39.62 3gcu n ASP 150 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3gcu s LEU 151 N -3.71 4.33 0.14 -2.67 1.43 -1.26 -4.85 118.68 112.09 3gcu s LEU 151 Ca 0.36 2.11 -0.24 0.00 -1.03 0.00 0.00 54.13 55.34 3gcu s LEU 151 Cb 0.36 -3.57 0.07 0.00 0.03 0.00 0.00 46.19 43.08 3gcu s LEU 151 CO -0.01 -0.65 0.62 -1.59 0.23 0.00 0.00 176.35 174.94 3gcu s LYS 152 N 1.91 1.25 0.41 1.70 -2.85 -1.26 -4.81 119.74 116.09 3gcu s LYS 152 Ca 0.62 -0.42 0.15 0.00 -1.00 0.00 0.00 55.97 55.33 3gcu s LYS 152 Cb -0.32 0.58 1.02 0.00 -2.06 0.00 0.00 37.83 37.05 3gcu s LYS 152 CO 0.27 -0.54 1.88 -1.35 0.10 0.00 0.00 175.35 175.71 3gcu h PRO 153 N 2.07 0.45 0.00 1.78 0.11 -1.94 -1.61 132.00 132.86 3gcu h PRO 153 Ca -0.33 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3gcu h PRO 153 Cb 1.30 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3gcu h PRO 153 CO 0.38 0.30 0.00 -1.13 -0.21 0.00 0.00 178.00 177.34 3gcu n SER 154 N -4.51 0.55 -1.15 -2.05 3.41 -1.26 -2.05 113.62 106.56 3gcu n SER 154 Ca 0.17 0.63 0.09 0.00 -0.26 0.00 0.00 58.87 59.50 3gcu n SER 154 Cb 0.60 -0.75 0.27 0.00 -0.26 0.00 0.00 64.21 64.07 3gcu n SER 154 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3gcu n ASN 155 N -2.10 3.35 -3.95 4.04 5.03 -0.61 -4.82 115.26 116.20 3gcu n ASN 155 Ca 0.03 -2.09 -0.31 0.00 0.87 0.00 0.00 54.58 53.08 3gcu n ASN 155 Cb 0.24 -0.42 -0.15 0.00 -1.02 0.00 0.00 39.78 38.42 3gcu n ASN 155 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3gcu s LEU 156 N -1.14 3.20 -0.02 3.41 1.43 -0.87 -1.67 118.68 123.02 3gcu s LEU 156 Ca 0.40 -1.52 -0.26 0.00 -1.03 0.00 0.00 54.13 51.72 3gcu s LEU 156 Cb 0.22 -1.30 -0.04 0.00 0.03 0.00 0.00 46.19 45.10 3gcu s LEU 156 CO 0.25 -0.29 0.83 0.00 0.23 0.00 0.00 176.35 177.37 3gcu s ALA 157 N 1.26 3.26 -0.12 4.21 0.00 -0.35 -0.40 121.76 129.62 3gcu s ALA 157 Ca -0.00 0.32 -0.00 0.00 0.00 0.00 0.00 51.96 52.28 3gcu s ALA 157 Cb -0.19 -3.12 0.02 0.00 0.00 0.00 0.00 23.12 19.83 3gcu s ALA 157 CO -0.09 -0.14 -0.09 0.08 0.00 0.00 0.00 175.76 175.52 3gcu s VAL 158 N 0.78 1.15 0.82 0.00 1.01 -0.61 -0.91 120.40 122.65 3gcu s VAL 158 Ca 0.44 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 61.94 3gcu s VAL 158 Cb -0.19 -1.14 0.18 0.00 0.00 0.00 0.00 36.38 35.22 3gcu s VAL 158 CO 0.23 0.39 1.12 -0.46 0.00 0.00 0.00 175.10 176.38 3gcu n ASN 159 N 4.90 0.39 0.25 3.32 0.23 -0.49 -4.25 115.26 119.61 3gcu n ASN 159 Ca -0.14 -1.59 0.15 0.00 -0.53 0.00 0.00 54.58 52.47 3gcu n ASN 159 Cb 0.50 -0.83 0.84 0.00 -2.08 0.00 0.00 39.78 38.21 3gcu n ASN 159 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3gcu h GLU 160 N 0.00 0.00 -0.50 -3.83 3.07 -1.99 -1.08 114.58 110.25 3gcu h GLU 160 Ca -0.37 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.49 3gcu h GLU 160 Cb 1.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.99 3gcu h GLU 160 CO 0.29 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.65 3gcu n ASP 161 N -3.95 2.68 -1.43 1.42 10.43 -1.26 -4.91 116.55 119.52 3gcu n ASP 161 Ca -0.01 -2.08 -0.17 0.00 2.57 0.00 0.00 54.79 55.11 3gcu n ASP 161 Cb 0.19 -0.35 -0.06 0.00 1.84 0.00 0.00 41.12 42.74 3gcu n ASP 161 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3gcu s GLU 163 N -3.76 4.40 -0.01 0.00 2.02 -1.26 -4.81 118.70 115.27 3gcu s GLU 163 Ca 0.00 1.38 0.05 0.00 0.02 0.00 0.00 54.97 56.42 3gcu s GLU 163 Cb 0.00 -3.56 -0.03 0.00 0.10 0.00 0.00 34.13 30.64 3gcu s GLU 163 CO 0.00 -0.36 -0.16 -1.17 0.02 0.00 0.00 175.26 173.59 3gcu s LEU 164 N 2.19 2.68 -0.02 1.80 0.20 -1.26 -1.40 118.68 122.87 3gcu s LEU 164 Ca 0.47 -0.28 0.03 0.00 0.69 0.00 0.00 54.13 55.04 3gcu s LEU 164 Cb -0.18 -1.55 -0.00 0.00 -0.43 0.00 0.00 46.19 44.03 3gcu s LEU 164 CO 0.16 0.31 -0.10 -0.54 -0.29 0.00 0.00 176.35 175.89 3gcu s LYS 165 N -1.01 1.02 -0.08 1.98 1.02 -0.09 -4.26 119.74 118.32 3gcu s LYS 165 Ca 0.13 -0.36 -0.24 0.00 0.02 0.00 0.00 55.97 55.52 3gcu s LYS 165 Cb -0.11 -0.95 -0.03 0.00 -0.52 0.00 0.00 37.83 36.22 3gcu s LYS 165 CO 0.03 0.17 0.74 0.42 -0.92 0.00 0.00 175.35 175.78 3gcu s ILE 166 N 0.04 5.01 0.32 2.17 1.01 0.14 -1.21 121.20 128.67 3gcu s ILE 166 Ca -0.01 1.51 0.03 0.00 0.00 0.00 0.00 60.65 62.18 3gcu s ILE 166 Cb -0.07 -4.07 -0.01 0.00 0.01 0.00 0.00 42.46 38.31 3gcu s ILE 166 CO 0.00 0.21 0.09 0.18 0.00 0.00 0.00 174.94 175.43 3gcu n LEU 167 N 4.03 0.00 -3.78 2.97 4.32 -0.67 -1.26 117.00 122.61 3gcu n LEU 167 Ca 0.00 -2.37 -0.30 0.00 -0.02 0.00 0.00 56.01 53.33 3gcu n LEU 167 Cb 0.51 0.70 -0.15 0.00 -1.62 0.00 0.00 43.42 42.86 3gcu n LEU 167 CO 0.48 -0.36 -0.35 -0.62 -1.22 0.00 0.00 177.39 175.32 3gcu s ASP 168 N -2.93 3.87 0.00 -1.43 -1.08 -1.26 -4.80 116.67 109.05 3gcu s ASP 168 Ca 0.13 -1.48 0.24 0.00 -0.52 0.00 0.00 52.55 50.92 3gcu s ASP 168 Cb 0.01 -0.91 1.13 0.00 -1.46 0.00 0.00 42.92 41.69 3gcu s ASP 168 CO 0.09 -0.37 1.78 0.49 0.52 0.00 0.00 175.17 177.68 3gcu n PHE 169 N 4.82 0.00 -1.70 -5.34 3.72 -1.26 -4.94 117.46 112.76 3gcu n PHE 169 Ca -0.04 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.93 3gcu n PHE 169 Cb 0.43 -0.37 -0.02 0.00 -0.94 0.00 0.00 39.48 38.58 3gcu n PHE 169 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gcu n GLY 170 N 0.83 1.07 0.00 1.37 0.00 -1.26 -5.10 105.19 102.10 3gcu n GLY 170 Ca 0.09 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.60 3gcu n GLY 170 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gcu n LEU 171 N 2.29 0.18 -2.98 0.99 4.77 -1.26 -4.85 117.00 116.14 3gcu n LEU 171 Ca 0.11 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.08 3gcu n LEU 171 Cb 0.34 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3gcu n LEU 171 CO 0.63 0.03 -0.48 0.52 -1.33 0.00 0.00 177.39 176.76 3gcu n VAL 183 N -1.21 -6.31 -2.86 4.08 0.31 -1.26 -0.04 118.33 111.04 3gcu n VAL 183 Ca 0.00 1.10 -0.41 0.00 -0.01 0.00 0.00 64.34 65.02 3gcu n VAL 183 Cb 0.20 -4.65 -0.04 0.00 -0.91 0.00 0.00 33.84 28.43 3gcu n VAL 183 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gcu s ALA 184 N -1.18 3.28 0.27 3.52 0.00 -1.26 -4.94 121.76 121.44 3gcu s ALA 184 Ca -0.01 0.39 -0.01 0.00 0.00 0.00 0.00 51.96 52.34 3gcu s ALA 184 Cb 0.00 -3.15 0.54 0.00 0.00 0.00 0.00 23.12 20.52 3gcu s ALA 184 CO 0.34 -0.07 1.77 1.15 0.00 0.00 0.00 175.76 178.95 3gcu h THR 185 N 4.40 0.74 -0.66 0.00 2.02 -1.98 -1.48 112.91 115.94 3gcu h THR 185 Ca -0.42 -0.22 0.17 0.00 0.77 0.00 0.00 66.41 66.70 3gcu h THR 185 Cb 1.21 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 3gcu h THR 185 CO 0.73 0.12 0.46 0.08 0.37 0.00 0.00 175.52 177.28 3gcu h ARG 186 N 0.65 0.16 0.00 6.66 0.11 -1.96 -2.10 114.38 117.89 3gcu h ARG 186 Ca 0.47 -0.01 -0.02 0.00 0.10 0.00 0.00 59.98 60.52 3gcu h ARG 186 Cb 0.65 -0.04 -0.00 0.00 1.11 0.00 0.00 29.97 31.70 3gcu h ARG 186 CO -0.36 0.11 -0.09 -1.49 0.10 0.00 0.00 179.97 178.24 3gcu h TRP 187 N 0.16 0.00 -0.13 4.08 6.55 -1.52 -3.01 115.95 122.09 3gcu h TRP 187 Ca 0.32 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.16 3gcu h TRP 187 Cb 1.04 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.34 3gcu h TRP 187 CO -0.00 0.09 0.00 0.66 -1.05 0.00 0.00 178.44 178.14 3gcu n TYR 188 N -3.83 0.17 -3.07 0.49 4.02 -0.79 -4.54 117.16 109.60 3gcu n TYR 188 Ca -0.02 -0.19 -0.39 0.00 -0.01 0.00 0.00 57.90 57.28 3gcu n TYR 188 Cb 0.19 -0.01 -0.05 0.00 -0.02 0.00 0.00 39.34 39.45 3gcu n TYR 188 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 3gcu s ARG 189 N -0.91 4.42 0.44 -0.72 3.52 -1.14 -3.25 118.95 121.32 3gcu s ARG 189 Ca 0.16 0.91 -0.26 0.00 -0.13 0.00 0.00 55.73 56.41 3gcu s ARG 189 Cb 0.10 -3.38 -0.09 0.00 -1.56 0.00 0.00 34.95 30.02 3gcu s ARG 189 CO 0.13 0.26 1.44 0.00 -0.81 0.00 0.00 175.30 176.32 3gcu s ALA 190 N 0.11 3.29 0.35 6.12 0.00 -1.26 -4.91 121.76 125.46 3gcu s ALA 190 Ca 0.36 1.49 0.04 0.00 0.00 0.00 0.00 51.96 53.86 3gcu s ALA 190 Cb -0.19 -3.60 0.69 0.00 0.00 0.00 0.00 23.12 20.02 3gcu s ALA 190 CO 0.20 -1.19 1.95 -1.00 0.00 0.00 0.00 175.76 175.72 3gcu h PRO 191 N 2.41 0.80 0.00 0.00 0.13 -1.95 -2.18 132.00 131.21 3gcu h PRO 191 Ca -0.51 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.57 3gcu h PRO 191 Cb 1.26 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 3gcu h PRO 191 CO 0.61 0.53 -0.02 1.05 -0.23 0.00 0.00 178.00 179.94 3gcu h GLU 192 N 0.82 0.00 -0.24 0.86 9.09 -1.92 -1.37 114.58 121.83 3gcu h GLU 192 Ca 0.33 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.57 3gcu h GLU 192 Cb 0.23 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.33 3gcu h GLU 192 CO -0.11 0.02 -0.51 0.82 0.05 0.00 0.00 179.01 179.28 3gcu h ILE 193 N 0.00 1.30 0.00 -1.06 2.04 -1.76 -2.20 117.51 115.82 3gcu h ILE 193 Ca -0.00 -1.72 -0.01 0.00 1.00 0.00 0.00 64.86 64.13 3gcu h ILE 193 Cb 0.04 1.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.88 3gcu h ILE 193 CO 0.00 0.55 -0.06 0.24 0.00 0.00 0.00 178.15 178.89 3gcu h MET 194 N 0.51 0.00 -0.39 2.37 2.86 -1.25 -2.21 114.93 116.82 3gcu h MET 194 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3gcu h MET 194 Cb 1.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.78 3gcu h MET 194 CO 0.11 0.06 0.00 1.28 1.06 0.00 0.00 176.91 179.42 3gcu n LEU 195 N -3.22 2.68 -3.56 1.22 4.77 -0.63 -4.98 117.00 113.28 3gcu n LEU 195 Ca -0.00 -1.23 -0.19 0.00 -0.03 0.00 0.00 56.01 54.55 3gcu n LEU 195 Cb 0.29 -0.25 0.06 0.00 -2.33 0.00 0.00 43.42 41.18 3gcu n LEU 195 CO 0.28 0.62 0.03 -3.20 -1.33 0.00 0.00 177.39 173.78 3gcu n ASN 196 N 0.97 -1.72 -4.76 -1.43 5.15 -0.83 -4.93 115.26 107.70 3gcu n ASN 196 Ca 0.18 -0.71 -0.39 0.00 -0.60 0.00 0.00 54.58 53.06 3gcu n ASN 196 Cb 0.46 -4.62 0.01 0.00 -0.53 0.00 0.00 39.78 35.10 3gcu n ASN 196 CO 0.00 0.00 0.00 0.86 1.40 0.00 0.00 177.26 179.52 3gcu s TRP 197 N -3.50 2.58 0.02 1.20 -0.11 -0.84 -4.96 118.94 113.33 3gcu s TRP 197 Ca 0.02 1.41 -0.07 0.00 1.22 0.00 0.00 56.10 58.67 3gcu s TRP 197 Cb -0.01 -3.68 -0.03 0.00 -1.50 0.00 0.00 33.47 28.24 3gcu s TRP 197 CO 0.77 -2.37 1.12 1.98 -4.62 0.00 0.00 176.95 173.82 3gcu h MET 198 N 2.02 -0.18 -6.21 5.86 1.85 -1.91 -3.42 114.93 112.93 3gcu h MET 198 Ca -0.50 0.01 -0.54 0.00 -0.61 0.00 0.00 59.70 58.06 3gcu h MET 198 Cb 1.27 0.04 -0.06 0.00 0.43 0.00 0.00 31.60 33.28 3gcu h MET 198 CO 0.60 -0.12 -0.56 -1.01 -0.40 0.00 0.00 176.91 175.42 3gcu s HIS 199 N -3.59 3.07 0.12 1.39 3.76 -1.26 -5.15 115.29 113.63 3gcu s HIS 199 Ca -0.04 -0.09 -0.06 0.00 -0.15 0.00 0.00 55.06 54.73 3gcu s HIS 199 Cb 0.01 -1.42 -0.02 0.00 1.11 0.00 0.00 32.58 32.26 3gcu s HIS 199 CO 0.13 0.53 0.16 1.52 -0.85 0.00 0.00 174.74 176.22 3gcu s TYR 200 N -1.98 0.47 0.00 1.40 1.13 -1.26 -5.07 117.35 112.04 3gcu s TYR 200 Ca 0.32 -0.88 0.00 0.00 -1.41 0.00 0.00 57.07 55.10 3gcu s TYR 200 Cb -0.09 -0.21 0.00 0.00 -1.10 0.00 0.00 41.96 40.56 3gcu s TYR 200 CO 0.23 -0.57 0.00 0.27 -2.51 0.00 0.00 175.55 172.97 3gcu n ASN 201 N -0.10 1.35 0.11 -0.18 0.23 -1.26 -5.03 115.26 110.38 3gcu n ASN 201 Ca -0.10 -0.97 0.11 0.00 -0.53 0.00 0.00 54.58 53.09 3gcu n ASN 201 Cb 0.63 0.00 0.46 0.00 -2.08 0.00 0.00 39.78 38.79 3gcu n ASN 201 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3gcu n GLN 202 N 0.00 0.16 0.33 -3.83 10.64 -1.26 -1.66 117.38 121.75 3gcu n GLN 202 Ca 0.00 0.41 0.22 0.00 -1.83 0.00 0.00 57.00 55.80 3gcu n GLN 202 Cb 0.00 -1.81 1.12 0.00 -0.86 0.00 0.00 30.24 28.69 3gcu n GLN 202 CO 0.00 0.00 0.00 1.79 -1.83 0.00 0.00 177.06 177.02 3gcu h THR 203 N 0.00 0.02 -0.64 -0.39 1.35 -1.96 -2.22 112.91 109.08 3gcu h THR 203 Ca 0.00 -0.10 0.02 0.00 -0.55 0.00 0.00 66.41 65.78 3gcu h THR 203 Cb 0.31 1.09 -0.03 0.00 -1.73 0.00 0.00 68.15 67.80 3gcu h THR 203 CO 0.00 0.00 0.42 -0.37 -0.25 0.00 0.00 175.52 175.32 3gcu h VAL 204 N 0.00 1.12 0.00 6.82 -1.51 -1.69 -2.05 116.25 118.94 3gcu h VAL 204 Ca -0.00 -0.27 -0.14 0.00 -1.23 0.00 0.00 66.70 65.06 3gcu h VAL 204 Cb 0.09 0.25 -0.02 0.00 -2.13 0.00 0.00 31.29 29.48 3gcu h VAL 204 CO 0.00 0.15 -0.65 0.44 -1.23 0.00 0.00 177.57 176.27 3gcu h ASP 205 N 0.80 0.00 -0.51 4.19 3.45 -1.64 -2.82 116.42 119.89 3gcu h ASP 205 Ca 0.25 0.00 -0.07 0.00 0.43 0.00 0.00 57.03 57.63 3gcu h ASP 205 Cb 0.00 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.75 3gcu h ASP 205 CO -0.06 0.65 0.06 0.40 -1.57 0.00 0.00 179.24 178.72 3gcu h ILE 206 N 0.00 1.25 -0.10 0.35 1.08 -1.48 -1.86 117.51 116.75 3gcu h ILE 206 Ca -0.01 -0.98 0.03 0.00 -0.39 0.00 0.00 64.86 63.51 3gcu h ILE 206 Cb 1.25 0.75 -0.03 0.00 -3.07 0.00 0.00 36.82 35.72 3gcu h ILE 206 CO 0.08 0.36 -0.10 -0.25 -0.69 0.00 0.00 178.15 177.56 3gcu h TRP 207 N 0.86 -0.24 -0.70 1.37 2.91 -1.24 -0.25 115.95 118.67 3gcu h TRP 207 Ca 0.17 0.02 0.09 0.00 1.13 0.00 0.00 58.89 60.30 3gcu h TRP 207 Cb 0.42 0.12 -0.07 0.00 -0.51 0.00 0.00 29.16 29.12 3gcu h TRP 207 CO 0.03 -0.15 0.35 0.77 -1.03 0.00 0.00 178.44 178.41 3gcu h SER 208 N -0.12 0.45 -0.74 2.65 0.02 -1.35 -1.37 113.55 113.09 3gcu h SER 208 Ca 0.07 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 3gcu h SER 208 Cb 0.22 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.71 3gcu h SER 208 CO -0.17 0.26 0.41 0.58 -1.14 0.00 0.00 176.83 176.77 3gcu h VAL 209 N 0.60 1.22 -0.72 2.27 2.07 -0.84 -0.26 116.25 120.59 3gcu h VAL 209 Ca 0.34 -0.56 0.09 0.00 0.82 0.00 0.00 66.70 67.39 3gcu h VAL 209 Cb 0.35 0.24 -0.07 0.00 -1.52 0.00 0.00 31.29 30.30 3gcu h VAL 209 CO -0.26 0.25 0.36 1.23 0.02 0.00 0.00 177.57 179.17 3gcu h GLY 210 N 1.02 1.08 1.17 2.17 0.00 -0.03 0.11 103.07 108.59 3gcu h GLY 210 Ca 0.26 -0.23 -0.12 0.00 0.00 0.00 0.00 47.33 47.25 3gcu h GLY 210 CO -0.04 0.06 -0.17 0.00 0.00 0.00 0.00 176.54 176.39 3gcu h ILE 212 N 0.84 1.27 -0.55 0.00 2.04 -0.68 -2.62 117.51 117.81 3gcu h ILE 212 Ca 0.12 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 3gcu h ILE 212 Cb 0.72 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 3gcu h ILE 212 CO 0.06 0.30 0.31 -0.03 0.00 0.00 0.00 178.15 178.78 3gcu h MET 213 N 0.16 0.76 -0.34 2.37 4.05 -0.70 -0.81 114.93 120.42 3gcu h MET 213 Ca 0.06 -0.08 0.07 0.00 -0.28 0.00 0.00 59.70 59.47 3gcu h MET 213 Cb 0.46 -0.15 -0.07 0.00 -0.80 0.00 0.00 31.60 31.03 3gcu h MET 213 CO 0.02 0.58 -0.12 0.00 0.23 0.00 0.00 176.91 177.62 3gcu h ALA 214 N 1.14 0.18 -0.43 0.39 0.00 -1.40 0.09 119.26 119.24 3gcu h ALA 214 Ca 0.20 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 3gcu h ALA 214 Cb 0.03 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3gcu h ALA 214 CO -0.03 -0.49 0.09 1.49 0.00 0.00 0.00 179.25 180.31 3gcu h GLU 215 N -0.04 0.65 -0.05 0.00 4.81 -1.06 -0.35 114.58 118.54 3gcu h GLU 215 Ca 0.17 -0.12 -0.09 0.00 -0.13 0.00 0.00 59.36 59.19 3gcu h GLU 215 Cb 0.30 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 3gcu h GLU 215 CO -0.38 0.61 -0.40 -0.07 -0.73 0.00 0.00 179.01 178.04 3gcu h LEU 216 N 0.63 0.11 -0.12 1.64 3.38 -0.52 0.25 115.31 120.68 3gcu h LEU 216 Ca 0.14 -0.04 -0.24 0.00 0.09 0.00 0.00 57.88 57.83 3gcu h LEU 216 Cb 0.26 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.99 3gcu h LEU 216 CO -0.00 0.50 -0.94 -0.07 0.09 0.00 0.00 178.44 178.03 3gcu h LEU 217 N 0.09 0.75 0.00 1.67 3.38 0.36 -3.38 115.31 118.18 3gcu h LEU 217 Ca 0.01 -0.57 -0.17 0.00 0.09 0.00 0.00 57.88 57.23 3gcu h LEU 217 Cb 0.75 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3gcu h LEU 217 CO 0.06 1.37 -2.04 0.35 0.09 0.00 0.00 178.44 178.27 3gcu n THR 218 N -3.83 0.64 -0.16 0.22 -2.24 -0.27 -4.92 114.28 103.72 3gcu n THR 218 Ca -0.08 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 3gcu n THR 218 Cb 0.83 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 3gcu n THR 218 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gcu n GLY 219 N 1.70 0.59 3.10 3.38 0.00 0.85 -5.05 105.19 109.76 3gcu n GLY 219 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 3gcu n GLY 219 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3gcu s ARG 220 N -0.81 0.65 0.03 1.61 1.70 -1.17 -4.94 118.95 116.02 3gcu s ARG 220 Ca 0.00 -0.99 -0.35 0.00 -0.47 0.00 0.00 55.73 53.92 3gcu s ARG 220 Cb 0.00 -0.25 -0.14 0.00 -0.57 0.00 0.00 34.95 33.99 3gcu s ARG 220 CO 0.00 0.02 1.64 2.41 -1.08 0.00 0.00 175.30 178.29 3gcu n THR 221 N 0.86 0.20 0.09 4.99 -1.04 -1.26 -3.97 114.28 114.15 3gcu n THR 221 Ca -0.19 -0.04 -0.13 0.00 -2.04 0.00 0.00 64.05 61.66 3gcu n THR 221 Cb 0.57 -1.48 -0.08 0.00 -1.82 0.00 0.00 70.33 67.52 3gcu n THR 221 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3gcu h LEU 222 N 6.76 -0.19 -7.12 -4.42 5.85 -1.91 -3.38 115.31 110.90 3gcu h LEU 222 Ca -0.47 -0.24 -0.62 0.00 0.84 0.00 0.00 57.88 57.39 3gcu h LEU 222 Cb 1.28 0.05 -0.41 0.00 0.37 0.00 0.00 40.66 41.95 3gcu h LEU 222 CO 0.89 0.15 -0.64 -0.36 -0.34 0.00 0.00 178.44 178.14 3gcu s PHE 223 N -4.84 3.11 -1.46 1.25 0.40 -1.26 -5.01 117.98 110.17 3gcu s PHE 223 Ca -0.15 -3.12 -0.11 0.00 -0.60 0.00 0.00 56.93 52.95 3gcu s PHE 223 Cb 0.03 -2.53 0.04 0.00 0.51 0.00 0.00 43.02 41.06 3gcu s PHE 223 CO 0.61 -0.65 2.39 -0.35 0.70 0.00 0.00 175.22 177.91 3gcu n PRO 224 N 2.56 3.46 -2.33 0.24 -0.04 -1.26 -4.61 135.00 133.02 3gcu n PRO 224 Ca 0.14 -2.77 -0.35 0.00 -0.04 0.00 0.00 63.50 60.49 3gcu n PRO 224 Cb 0.35 -3.00 -0.01 0.00 -0.04 0.00 0.00 33.50 30.80 3gcu n PRO 224 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3gcu s GLY 225 N 2.10 2.55 0.14 0.55 0.00 -1.26 -4.97 107.32 106.44 3gcu s GLY 225 Ca 0.53 0.72 0.22 0.00 0.00 0.00 0.00 44.72 46.20 3gcu s GLY 225 CO -0.06 1.07 0.93 -1.30 0.00 0.00 0.00 173.10 173.74 3gcu n THR 226 N -1.25 0.44 -3.86 0.90 -2.24 -1.26 -4.84 114.28 102.17 3gcu n THR 226 Ca 0.11 -0.50 -0.11 0.00 -2.27 0.00 0.00 64.05 61.28 3gcu n THR 226 Cb 0.52 -0.22 -0.00 0.00 -2.10 0.00 0.00 70.33 68.53 3gcu n THR 226 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3gcu n ASP 227 N -2.51 -1.54 0.17 3.42 3.85 -1.26 -5.04 116.55 113.64 3gcu n ASP 227 Ca -0.01 -2.53 0.01 0.00 -0.71 0.00 0.00 54.79 51.56 3gcu n ASP 227 Cb 0.54 2.70 0.32 0.00 -1.35 0.00 0.00 41.12 43.32 3gcu n ASP 227 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.20 176.64 3gcu h HIS 228 N 1.87 0.04 0.12 2.11 3.86 -1.98 -0.31 115.15 120.87 3gcu h HIS 228 Ca -0.26 -0.01 -0.21 0.00 -1.16 0.00 0.00 60.37 58.73 3gcu h HIS 228 Cb 1.05 -0.01 0.02 0.00 1.06 0.00 0.00 27.41 29.53 3gcu h HIS 228 CO 0.00 0.44 -0.89 0.82 0.86 0.00 0.00 177.93 179.16 3gcu h ILE 229 N 0.03 1.45 -0.50 2.45 2.04 -1.97 -1.60 117.51 119.41 3gcu h ILE 229 Ca 0.00 -2.46 0.07 0.00 1.00 0.00 0.00 64.86 63.48 3gcu h ILE 229 Cb 0.73 3.01 -0.06 0.00 -0.74 0.00 0.00 36.82 39.76 3gcu h ILE 229 CO 0.05 0.71 0.16 -0.78 0.00 0.00 0.00 178.15 178.29 3gcu h ASP 230 N -0.19 0.14 -0.24 1.72 -0.00 -1.95 -1.07 116.42 114.83 3gcu h ASP 230 Ca -0.15 0.07 0.06 0.00 -0.00 0.00 0.00 57.03 57.01 3gcu h ASP 230 Cb 1.67 0.06 -0.07 0.00 -0.00 0.00 0.00 39.33 40.99 3gcu h ASP 230 CO 0.17 0.10 -0.34 -0.61 -0.00 0.00 0.00 179.24 178.57 3gcu h GLN 231 N 0.33 -0.34 -0.81 0.28 5.75 -1.02 -1.22 115.11 118.07 3gcu h GLN 231 Ca 0.25 0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.73 3gcu h GLN 231 Cb 0.28 0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.87 3gcu h GLN 231 CO -0.27 -0.23 0.36 -0.07 -2.65 0.00 0.00 178.83 175.98 3gcu h LEU 232 N -0.35 1.08 -0.79 -2.39 3.38 -1.08 -2.11 115.31 113.05 3gcu h LEU 232 Ca 0.12 -0.14 0.07 0.00 0.09 0.00 0.00 57.88 58.02 3gcu h LEU 232 Cb 0.55 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 3gcu h LEU 232 CO -0.43 0.93 0.46 0.50 0.09 0.00 0.00 178.44 179.99 3gcu h LYS 233 N 1.16 0.80 -0.35 1.13 3.64 -0.70 -1.02 116.57 121.24 3gcu h LYS 233 Ca 0.28 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.44 3gcu h LYS 233 Cb 0.15 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3gcu h LYS 233 CO -0.03 0.53 -0.43 -0.07 -2.27 0.00 0.00 179.45 177.18 3gcu h LEU 234 N 0.83 0.97 0.43 5.20 3.38 -0.89 -2.33 115.31 122.90 3gcu h LEU 234 Ca 0.36 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3gcu h LEU 234 Cb 0.23 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3gcu h LEU 234 CO -0.20 1.26 -0.21 0.40 0.09 0.00 0.00 178.44 179.78 3gcu h ILE 235 N 0.72 0.57 -0.91 1.22 2.04 -1.17 -2.96 117.51 117.02 3gcu h ILE 235 Ca 0.05 -0.10 0.10 0.00 1.00 0.00 0.00 64.86 65.91 3gcu h ILE 235 Cb 1.02 0.63 -0.07 0.00 -0.74 0.00 0.00 36.82 37.66 3gcu h ILE 235 CO 0.10 0.02 0.59 -0.07 0.00 0.00 0.00 178.15 178.79 3gcu h LEU 236 N -0.64 0.82 -1.37 1.44 3.38 -1.17 -0.88 115.31 116.89 3gcu h LEU 236 Ca -0.06 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.05 3gcu h LEU 236 Cb 0.48 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 3gcu h LEU 236 CO 0.10 0.47 0.52 0.03 0.09 0.00 0.00 178.44 179.65 3gcu h ARG 237 N 0.90 0.66 0.04 1.13 -0.00 -1.32 0.84 114.38 116.62 3gcu h ARG 237 Ca 0.43 -0.04 -0.19 0.00 -0.50 0.00 0.00 59.98 59.68 3gcu h ARG 237 Cb 0.44 -0.15 -0.02 0.00 0.00 0.00 0.00 29.97 30.24 3gcu h ARG 237 CO -0.19 0.43 -1.02 1.25 0.00 0.00 0.00 179.97 180.44 3gcu h LEU 238 N 0.68 0.12 -0.04 3.04 5.85 -1.10 -3.40 115.31 120.45 3gcu h LEU 238 Ca 0.38 -0.73 0.00 0.00 0.84 0.00 0.00 57.88 58.37 3gcu h LEU 238 Cb 0.55 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.55 3gcu h LEU 238 CO -0.15 1.42 -0.92 1.33 -0.34 0.00 0.00 178.44 179.77 3gcu n VAL 239 N -4.31 0.00 0.00 1.05 0.24 -0.45 -0.77 118.33 114.09 3gcu n VAL 239 Ca -0.25 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 3gcu n VAL 239 Cb 0.70 0.93 0.00 0.00 -1.47 0.00 0.00 33.84 34.01 3gcu n VAL 239 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gcu n GLY 240 N 1.50 -0.80 3.80 7.63 0.00 0.29 -4.18 105.19 113.43 3gcu n GLY 240 Ca 0.04 -1.64 -0.33 0.00 0.00 0.00 0.00 46.02 44.10 3gcu n GLY 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gcu s THR 241 N -2.62 3.75 0.48 2.61 -4.23 -0.80 -4.69 115.64 110.15 3gcu s THR 241 Ca 0.00 0.83 -0.22 0.00 -1.18 0.00 0.00 61.69 61.12 3gcu s THR 241 Cb 0.00 -3.36 -0.09 0.00 1.34 0.00 0.00 72.50 70.39 3gcu s THR 241 CO 0.00 -0.49 0.90 -2.65 -0.54 0.00 0.00 174.62 171.84 3gcu n PRO 242 N -2.06 1.07 -2.38 3.99 -0.02 -1.26 -4.89 135.00 129.45 3gcu n PRO 242 Ca 0.09 0.39 -0.25 0.00 -2.02 0.00 0.00 63.50 61.71 3gcu n PRO 242 Cb 0.53 -1.98 0.05 0.00 -0.02 0.00 0.00 33.50 32.08 3gcu n PRO 242 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3gcu s GLY 243 N -0.92 1.68 0.31 -1.23 0.00 -1.26 -4.94 107.32 100.96 3gcu s GLY 243 Ca 0.67 -0.93 0.04 0.00 0.00 0.00 0.00 44.72 44.50 3gcu s GLY 243 CO 0.54 -0.59 1.85 0.00 0.00 0.00 0.00 173.10 174.90 3gcu h ALA 244 N -0.30 1.64 -0.94 3.20 0.00 -1.99 -2.17 119.26 118.69 3gcu h ALA 244 Ca -0.44 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.50 3gcu h ALA 244 Cb 1.29 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 3gcu h ALA 244 CO 0.59 0.12 0.63 1.49 0.00 0.00 0.00 179.25 182.07 3gcu h GLU 245 N 0.88 1.24 0.00 0.00 4.81 -2.00 -2.65 114.58 116.86 3gcu h GLU 245 Ca 0.48 -0.07 -0.25 0.00 -0.13 0.00 0.00 59.36 59.39 3gcu h GLU 245 Cb 0.58 -0.28 0.01 0.00 0.63 0.00 0.00 28.75 29.69 3gcu h GLU 245 CO -0.25 0.82 -1.00 1.25 -0.73 0.00 0.00 179.01 179.11 3gcu h LEU 246 N 1.27 0.71 -1.81 1.64 6.46 -1.80 -3.24 115.31 118.56 3gcu h LEU 246 Ca 0.35 -0.57 -0.01 0.00 -0.12 0.00 0.00 57.88 57.53 3gcu h LEU 246 Cb -0.14 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 39.56 3gcu h LEU 246 CO -0.08 1.37 0.06 -0.07 -0.62 0.00 0.00 178.44 179.11 3gcu h LEU 247 N 0.31 0.16 -0.33 2.25 -0.00 -1.15 -1.53 115.31 115.01 3gcu h LEU 247 Ca -0.10 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 3gcu h LEU 247 Cb 1.64 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 42.26 3gcu h LEU 247 CO 0.18 0.15 0.00 1.17 -0.00 0.00 0.00 178.44 179.94 3gcu n LYS 248 N -4.48 0.04 -0.04 1.13 4.81 -1.02 -2.50 118.16 116.09 3gcu n LYS 248 Ca -0.01 0.47 0.02 0.00 -0.87 0.00 0.00 58.31 57.92 3gcu n LYS 248 Cb 0.11 -1.62 0.04 0.00 0.02 0.00 0.00 35.03 33.58 3gcu n LYS 248 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3gcu n LYS 249 N -1.71 1.64 -3.31 1.64 5.02 -0.58 -4.94 118.16 115.93 3gcu n LYS 249 Ca 0.01 -1.34 -0.41 0.00 -2.02 0.00 0.00 58.31 54.54 3gcu n LYS 249 Cb 0.06 -1.10 -0.08 0.00 -0.02 0.00 0.00 35.03 33.89 3gcu n LYS 249 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3gcu s ILE 250 N -0.75 5.07 0.14 -0.18 1.01 -1.04 -4.94 121.20 120.51 3gcu s ILE 250 Ca 0.08 0.10 -0.03 0.00 0.00 0.00 0.00 60.65 60.80 3gcu s ILE 250 Cb 0.04 -3.94 -0.16 0.00 0.01 0.00 0.00 42.46 38.41 3gcu s ILE 250 CO 0.06 -0.23 1.34 -1.28 0.00 0.00 0.00 174.94 174.83 3gcu h SER 251 N 8.53 0.48 -3.05 3.58 0.87 -1.92 -3.45 113.55 118.59 3gcu h SER 251 Ca -0.28 -0.37 -0.57 0.00 -1.23 0.00 0.00 61.79 59.34 3gcu h SER 251 Cb 1.13 -0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 62.90 3gcu h SER 251 CO 0.75 1.16 0.95 -0.55 -0.53 0.00 0.00 176.83 178.61 3gcu s SER 252 N -7.04 6.77 0.10 6.23 0.15 -1.26 -4.94 113.70 113.72 3gcu s SER 252 Ca -0.05 1.39 -0.20 0.00 0.70 0.00 0.00 55.95 57.79 3gcu s SER 252 Cb 0.09 -2.54 -0.08 0.00 -1.71 0.00 0.00 66.02 61.79 3gcu s SER 252 CO 0.86 -0.96 1.69 -0.08 1.20 0.00 0.00 173.24 175.94 3gcu h GLU 253 N 8.90 0.30 -0.36 5.44 4.81 -1.99 -1.20 114.58 130.47 3gcu h GLU 253 Ca -0.26 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 58.82 3gcu h GLU 253 Cb 1.10 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 3gcu h GLU 253 CO 1.01 0.30 -0.22 0.66 -0.73 0.00 0.00 179.01 180.02 3gcu h SER 254 N 0.22 0.71 0.19 1.04 4.64 -1.99 0.59 113.55 118.95 3gcu h SER 254 Ca 0.07 -0.25 -0.01 0.00 -0.47 0.00 0.00 61.79 61.14 3gcu h SER 254 Cb 0.09 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 61.99 3gcu h SER 254 CO -0.01 0.92 -0.11 0.00 -0.87 0.00 0.00 176.83 176.76 3gcu h ALA 255 N 1.14 -0.27 -0.27 5.18 0.00 -1.96 -0.45 119.26 122.62 3gcu h ALA 255 Ca 0.09 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3gcu h ALA 255 Cb 0.71 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 3gcu h ALA 255 CO 0.05 -0.66 0.03 0.00 0.00 0.00 0.00 179.25 178.68 3gcu h ARG 256 N -0.28 0.12 -0.21 0.00 3.08 -1.00 0.14 114.38 116.22 3gcu h ARG 256 Ca -0.02 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.07 3gcu h ARG 256 Cb 0.23 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.18 3gcu h ARG 256 CO 0.02 0.08 -0.42 -0.91 -1.07 0.00 0.00 179.97 177.67 3gcu h ASN 257 N 0.12 -1.35 0.47 7.04 2.35 -0.79 0.26 115.58 123.68 3gcu h ASN 257 Ca 0.13 0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 56.05 3gcu h ASN 257 Cb 0.15 0.56 -0.00 0.00 0.05 0.00 0.00 38.32 39.08 3gcu h ASN 257 CO -0.19 -0.41 -0.29 0.22 -1.65 0.00 0.00 177.43 175.12 3gcu h TYR 258 N -0.44 -0.75 -1.00 1.19 5.03 -0.64 -2.05 116.97 118.31 3gcu h TYR 258 Ca 0.09 -0.01 0.10 0.00 2.58 0.00 0.00 58.73 61.50 3gcu h TYR 258 Cb 0.61 0.27 -0.08 0.00 1.55 0.00 0.00 36.73 39.08 3gcu h TYR 258 CO -0.53 -0.44 0.63 0.82 -1.32 0.00 0.00 178.16 177.33 3gcu h ILE 259 N -0.72 0.97 0.00 1.81 2.04 -0.56 -1.06 117.51 119.99 3gcu h ILE 259 Ca -0.05 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 3gcu h ILE 259 Cb 0.59 -0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 3gcu h ILE 259 CO 0.05 0.19 -0.15 1.56 0.00 0.00 0.00 178.15 179.80 3gcu h GLN 260 N 1.04 0.00 -0.26 2.37 4.20 -0.23 -2.90 115.11 119.32 3gcu h GLN 260 Ca 0.47 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 59.07 3gcu h GLN 260 Cb 0.39 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 3gcu h GLN 260 CO -0.23 0.15 -0.31 0.66 -0.67 0.00 0.00 178.83 178.43 3gcu h SER 261 N 0.00 0.56 -3.31 1.46 4.64 -0.46 -3.47 113.55 112.98 3gcu h SER 261 Ca -0.00 -0.21 -0.57 0.00 -0.47 0.00 0.00 61.79 60.53 3gcu h SER 261 Cb 0.58 -0.15 0.13 0.00 -0.31 0.00 0.00 62.40 62.64 3gcu h SER 261 CO 0.02 0.84 0.31 0.18 -0.87 0.00 0.00 176.83 177.31 3gcu n LEU 262 N -4.08 3.34 -4.75 5.97 4.77 -1.10 -4.95 117.00 116.19 3gcu n LEU 262 Ca -0.01 1.05 -0.41 0.00 -0.03 0.00 0.00 56.01 56.61 3gcu n LEU 262 Cb 0.45 -1.42 -0.02 0.00 -2.33 0.00 0.00 43.42 40.10 3gcu n LEU 262 CO 0.43 -1.13 1.01 -0.89 -1.33 0.00 0.00 177.39 175.48 3gcu s THR 263 N -1.25 2.85 0.32 -5.08 2.01 -1.26 -4.96 115.64 108.28 3gcu s THR 263 Ca 0.63 0.78 -0.29 0.00 0.31 0.00 0.00 61.69 63.12 3gcu s THR 263 Cb -0.53 -3.50 -0.12 0.00 0.01 0.00 0.00 72.50 68.36 3gcu s THR 263 CO 0.56 0.15 1.33 1.67 -0.69 0.00 0.00 174.62 177.64 3gcu n GLN 264 N 1.67 2.15 -4.83 4.92 7.27 -1.26 -4.94 117.38 122.36 3gcu n GLN 264 Ca 0.03 0.76 -0.27 0.00 0.07 0.00 0.00 57.00 57.58 3gcu n GLN 264 Cb 0.42 -2.36 -0.17 0.00 2.41 0.00 0.00 30.24 30.54 3gcu n GLN 264 CO 0.00 0.00 0.00 -1.64 0.07 0.00 0.00 177.06 175.49 3gcu s MET 265 N -1.60 2.22 0.60 3.69 -1.94 -1.26 -4.98 119.30 116.03 3gcu s MET 265 Ca 0.58 -0.60 -0.14 0.00 -1.71 0.00 0.00 55.69 53.82 3gcu s MET 265 Cb -0.58 -1.75 -0.04 0.00 2.01 0.00 0.00 34.83 34.47 3gcu s MET 265 CO 0.60 0.09 1.03 -1.25 -0.01 0.00 0.00 175.02 175.48 3gcu s PRO 266 N 0.53 3.49 0.07 2.03 0.04 -1.26 -1.90 135.00 138.00 3gcu s PRO 266 Ca -0.16 0.98 -0.31 0.00 0.04 0.00 0.00 61.00 61.55 3gcu s PRO 266 Cb -0.17 -2.07 -0.06 0.00 0.04 0.00 0.00 34.50 32.24 3gcu s PRO 266 CO 0.06 -0.65 1.29 0.21 0.04 0.00 0.00 177.00 177.94 3gcu s LYS 267 N -4.51 4.37 0.62 4.56 2.20 -1.26 -3.74 119.74 121.98 3gcu s LYS 267 Ca 0.59 1.90 -0.16 0.00 -0.36 0.00 0.00 55.97 57.95 3gcu s LYS 267 Cb -0.13 -3.33 -0.02 0.00 -1.51 0.00 0.00 37.83 32.84 3gcu s LYS 267 CO 0.43 -0.36 1.09 -1.64 -0.36 0.00 0.00 175.35 174.50 3gcu s MET 268 N 1.23 3.07 -0.39 4.03 -1.94 0.05 -4.94 119.30 120.41 3gcu s MET 268 Ca 0.61 1.33 -0.29 0.00 -1.71 0.00 0.00 55.69 55.64 3gcu s MET 268 Cb -0.32 -1.99 0.02 0.00 2.01 0.00 0.00 34.83 34.55 3gcu s MET 268 CO 0.29 -1.03 1.19 1.21 -0.01 0.00 0.00 175.02 176.67 3gcu s ASN 269 N -2.59 6.68 0.47 3.03 2.47 -1.26 -4.89 114.94 118.86 3gcu s ASN 269 Ca 0.66 0.82 0.20 0.00 0.42 0.00 0.00 52.86 54.96 3gcu s ASN 269 Cb -0.19 -2.54 1.18 0.00 -1.45 0.00 0.00 41.25 38.25 3gcu s ASN 269 CO 0.38 -1.14 2.02 -0.26 -3.72 0.00 0.00 177.10 174.38 3gcu h PHE 270 N 9.12 0.00 -0.15 0.43 0.05 -1.94 -0.78 116.94 123.67 3gcu h PHE 270 Ca -0.23 0.00 -0.10 0.00 3.82 0.00 0.00 57.97 61.45 3gcu h PHE 270 Cb 1.07 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 39.01 3gcu h PHE 270 CO 0.92 0.17 -0.37 0.00 -0.18 0.00 0.00 178.31 178.84 3gcu h ALA 271 N 1.83 1.10 -0.02 2.45 0.00 -1.90 0.31 119.26 123.04 3gcu h ALA 271 Ca -0.00 -0.39 -0.19 0.00 0.00 0.00 0.00 54.91 54.32 3gcu h ALA 271 Cb 0.34 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.05 3gcu h ALA 271 CO 0.02 0.58 -0.75 -0.97 0.00 0.00 0.00 179.25 178.13 3gcu h ASN 272 N 0.27 0.68 0.07 0.00 -0.73 -1.59 -3.12 115.58 111.16 3gcu h ASN 272 Ca 0.03 -0.74 0.01 0.00 1.87 0.00 0.00 56.30 57.47 3gcu h ASN 272 Cb 0.78 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 39.15 3gcu h ASN 272 CO 0.06 1.33 -0.09 0.58 -0.37 0.00 0.00 177.43 178.94 3gcu h VAL 273 N 0.11 0.79 -2.13 2.57 2.07 -1.10 -3.19 116.25 115.36 3gcu h VAL 273 Ca -0.09 0.00 -0.78 0.00 0.82 0.00 0.00 66.70 66.65 3gcu h VAL 273 Cb 1.43 0.79 -0.28 0.00 -1.52 0.00 0.00 31.29 31.72 3gcu h VAL 273 CO 0.15 0.00 0.93 0.49 0.02 0.00 0.00 177.57 179.16 3gcu n PHE 274 N -5.20 2.93 -0.09 1.57 3.01 0.08 -4.82 117.46 114.93 3gcu n PHE 274 Ca -0.07 -2.54 0.15 0.00 1.01 0.00 0.00 57.45 55.99 3gcu n PHE 274 Cb 0.13 -1.13 0.54 0.00 -0.01 0.00 0.00 39.48 39.01 3gcu n PHE 274 CO 0.00 0.00 0.00 0.97 1.01 0.00 0.00 176.76 178.74 3gcu h ILE 275 N 2.17 0.83 0.00 4.37 6.09 -1.53 -1.77 117.51 127.66 3gcu h ILE 275 Ca 0.53 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 63.90 3gcu h ILE 275 Cb 0.23 0.47 0.00 0.00 0.47 0.00 0.00 36.82 37.99 3gcu h ILE 275 CO 1.26 0.06 0.00 0.61 -3.07 0.00 0.00 178.15 177.01 3gcu n GLY 276 N -1.54 -1.55 3.84 8.18 0.00 -1.26 -4.93 105.19 107.93 3gcu n GLY 276 Ca 0.11 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3gcu n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gcu s ALA 277 N -3.04 3.22 0.06 4.61 0.00 -0.67 -5.03 121.76 120.92 3gcu s ALA 277 Ca 0.12 0.18 -0.36 0.00 0.00 0.00 0.00 51.96 51.90 3gcu s ALA 277 Cb 0.16 -2.91 -0.16 0.00 0.00 0.00 0.00 23.12 20.21 3gcu s ALA 277 CO 0.54 0.26 1.44 -1.71 0.00 0.00 0.00 175.76 176.29 3gcu n ASN 278 N -0.43 2.05 0.11 0.00 2.85 -1.26 -4.86 115.26 113.72 3gcu n ASN 278 Ca 0.05 1.10 0.08 0.00 -0.11 0.00 0.00 54.58 55.70 3gcu n ASN 278 Cb 0.53 -1.24 0.55 0.00 1.24 0.00 0.00 39.78 40.87 3gcu n ASN 278 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3gcu h PRO 279 N 5.19 0.23 -0.66 1.20 0.13 -1.95 0.68 132.00 136.82 3gcu h PRO 279 Ca -0.47 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 3gcu h PRO 279 Cb 1.32 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 3gcu h PRO 279 CO 0.82 0.16 0.32 -0.07 -0.23 0.00 0.00 178.00 179.00 3gcu h LEU 280 N 0.24 0.84 -0.47 1.56 3.38 -1.99 0.85 115.31 119.72 3gcu h LEU 280 Ca 0.10 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 3gcu h LEU 280 Cb 0.11 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3gcu h LEU 280 CO -0.02 0.70 -0.08 0.00 0.09 0.00 0.00 178.44 179.13 3gcu h ALA 281 N 1.43 0.64 -0.35 1.53 0.00 -1.28 -2.31 119.26 118.93 3gcu h ALA 281 Ca 0.23 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3gcu h ALA 281 Cb 0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3gcu h ALA 281 CO -0.03 0.51 0.16 0.28 0.00 0.00 0.00 179.25 180.17 3gcu h VAL 282 N 0.72 1.17 -0.59 0.00 2.07 -0.98 -1.90 116.25 116.73 3gcu h VAL 282 Ca 0.12 -0.48 0.06 0.00 0.82 0.00 0.00 66.70 67.22 3gcu h VAL 282 Cb 0.62 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 3gcu h VAL 282 CO 0.04 0.18 0.30 -0.78 0.02 0.00 0.00 177.57 177.33 3gcu h ASP 283 N 0.42 0.43 -0.20 0.57 3.58 -0.72 -1.77 116.42 118.72 3gcu h ASP 283 Ca 0.12 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.59 3gcu h ASP 283 Cb 0.13 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 3gcu h ASP 283 CO -0.01 0.28 0.08 0.25 -2.88 0.00 0.00 179.24 176.96 3gcu h LEU 284 N 0.57 0.28 -1.01 2.28 5.85 -1.20 -2.72 115.31 119.37 3gcu h LEU 284 Ca 0.27 -0.17 0.16 0.00 0.84 0.00 0.00 57.88 58.98 3gcu h LEU 284 Cb 0.19 -0.07 -0.10 0.00 0.37 0.00 0.00 40.66 41.05 3gcu h LEU 284 CO -0.19 0.37 0.62 -0.07 -0.34 0.00 0.00 178.44 178.84 3gcu h LEU 285 N 0.17 0.85 -1.66 2.25 3.38 -1.15 -0.56 115.31 118.59 3gcu h LEU 285 Ca 0.07 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3gcu h LEU 285 Cb 0.18 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3gcu h LEU 285 CO -0.01 0.37 -0.19 -0.33 0.09 0.00 0.00 178.44 178.38 3gcu h GLU 286 N 0.87 0.00 0.00 1.13 5.08 -1.03 -0.97 114.58 119.66 3gcu h GLU 286 Ca 0.54 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.90 3gcu h GLU 286 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3gcu h GLU 286 CO -0.33 0.19 -0.56 0.87 -1.00 0.00 0.00 179.01 178.18 3gcu h LYS 287 N 0.00 0.00 0.06 2.33 1.57 -0.87 -3.37 116.57 116.29 3gcu h LYS 287 Ca -0.00 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.40 3gcu h LYS 287 Cb 0.37 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 3gcu h LYS 287 CO 0.02 0.00 -2.23 -1.33 -0.57 0.00 0.00 179.45 175.35 3gcu n MET 288 N -2.54 0.70 -2.46 3.15 2.81 -0.50 -1.20 117.12 117.09 3gcu n MET 288 Ca 0.03 0.20 -0.41 0.00 -1.81 0.00 0.00 57.70 55.70 3gcu n MET 288 Cb 0.50 -1.62 0.01 0.00 -0.71 0.00 0.00 33.22 31.40 3gcu n MET 288 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3gcu n LEU 289 N -3.35 7.22 -4.36 4.03 4.77 -0.40 -4.28 117.00 120.63 3gcu n LEU 289 Ca -0.38 -5.04 -0.32 0.00 -0.03 0.00 0.00 56.01 50.24 3gcu n LEU 289 Cb 1.02 -1.32 -0.15 0.00 -2.33 0.00 0.00 43.42 40.65 3gcu n LEU 289 CO 0.35 1.83 -0.49 -0.69 -1.33 0.00 0.00 177.39 177.06 3gcu s VAL 290 N -2.01 2.69 0.09 4.08 1.01 -1.26 -4.93 120.40 120.07 3gcu s VAL 290 Ca 0.42 -0.83 -0.27 0.00 0.00 0.00 0.00 61.98 61.31 3gcu s VAL 290 Cb 0.14 -2.06 -0.16 0.00 0.00 0.00 0.00 36.38 34.30 3gcu s VAL 290 CO -0.04 0.56 1.70 -0.07 0.00 0.00 0.00 175.10 177.25 3gcu h LEU 291 N 6.09 -0.30 -8.78 3.92 4.07 -1.93 -3.39 115.31 114.99 3gcu h LEU 291 Ca -0.33 0.01 -0.55 0.00 0.08 0.00 0.00 57.88 57.09 3gcu h LEU 291 Cb 1.18 0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.99 3gcu h LEU 291 CO 0.51 -0.21 1.39 -0.62 -1.08 0.00 0.00 178.44 178.43 3gcu s ASP 292 N -4.90 5.45 0.60 -0.43 -1.08 -1.26 -4.85 116.67 110.20 3gcu s ASP 292 Ca -0.15 1.21 0.30 0.00 -0.52 0.00 0.00 52.55 53.39 3gcu s ASP 292 Cb 0.05 -2.52 1.81 0.00 -1.46 0.00 0.00 42.92 40.80 3gcu s ASP 292 CO 0.65 -2.07 2.20 0.77 0.52 0.00 0.00 175.17 177.24 3gcu h SER 293 N 14.78 0.00 0.98 -0.34 4.64 -1.97 -0.44 113.55 131.20 3gcu h SER 293 Ca -0.32 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.97 3gcu h SER 293 Cb 1.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3gcu h SER 293 CO 1.07 0.00 -0.12 0.44 -0.87 0.00 0.00 176.83 177.35 3gcu h ASP 294 N 0.00 0.00 -0.02 4.97 3.45 -1.94 -2.95 116.42 119.93 3gcu h ASP 294 Ca 0.03 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.49 3gcu h ASP 294 Cb 0.19 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.96 3gcu h ASP 294 CO -0.00 0.12 -0.44 0.29 -1.57 0.00 0.00 179.24 177.64 3gcu n LYS 295 N -3.26 1.32 -2.15 3.56 4.76 -0.18 -4.95 118.16 117.26 3gcu n LYS 295 Ca 0.00 -1.02 -0.39 0.00 -2.87 0.00 0.00 58.31 54.03 3gcu n LYS 295 Cb 0.38 -1.45 -0.01 0.00 -1.84 0.00 0.00 35.03 32.10 3gcu n LYS 295 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3gcu s ARG 296 N -2.38 4.04 0.51 1.97 0.52 -1.12 -4.95 118.95 117.55 3gcu s ARG 296 Ca 0.18 2.05 -0.22 0.00 -0.52 0.00 0.00 55.73 57.22 3gcu s ARG 296 Cb 0.17 -2.77 -0.06 0.00 0.52 0.00 0.00 34.95 32.82 3gcu s ARG 296 CO 0.54 -0.40 1.27 -1.50 0.02 0.00 0.00 175.30 175.24 3gcu s ILE 297 N -1.30 2.51 0.64 1.52 2.07 -0.34 -5.03 121.20 121.28 3gcu s ILE 297 Ca 0.56 0.38 -0.04 0.00 -1.41 0.00 0.00 60.65 60.14 3gcu s ILE 297 Cb -0.36 -3.19 0.05 0.00 0.13 0.00 0.00 42.46 39.09 3gcu s ILE 297 CO 0.46 -0.01 0.93 0.42 -1.91 0.00 0.00 174.94 174.82 3gcu s THR 298 N -1.41 2.60 0.16 4.00 -4.23 -1.26 -4.90 115.64 110.60 3gcu s THR 298 Ca 0.69 -0.35 -0.14 0.00 -1.18 0.00 0.00 61.69 60.71 3gcu s THR 298 Cb -0.35 -3.07 0.05 0.00 1.34 0.00 0.00 72.50 70.47 3gcu s THR 298 CO 0.42 -0.07 1.76 0.00 -0.54 0.00 0.00 174.62 176.20 3gcu h ALA 299 N -0.34 0.67 -0.71 3.99 0.00 -1.94 -0.92 119.26 120.00 3gcu h ALA 299 Ca -0.44 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.30 3gcu h ALA 299 Cb 1.30 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 3gcu h ALA 299 CO 0.58 0.20 0.17 0.00 0.00 0.00 0.00 179.25 180.20 3gcu h ALA 300 N 1.11 0.95 -0.45 0.00 0.00 -1.93 -2.20 119.26 116.74 3gcu h ALA 300 Ca 0.18 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 3gcu h ALA 300 Cb 0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3gcu h ALA 300 CO -0.03 0.67 -0.11 1.96 0.00 0.00 0.00 179.25 181.74 3gcu h GLN 301 N 1.08 0.82 0.00 0.00 4.20 -1.90 -3.08 115.11 116.23 3gcu h GLN 301 Ca 0.22 -0.28 -0.09 0.00 0.06 0.00 0.00 58.65 58.56 3gcu h GLN 301 Cb 0.38 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 3gcu h GLN 301 CO 0.00 0.90 -0.43 0.00 -0.67 0.00 0.00 178.83 178.63 3gcu h ALA 302 N 1.13 1.24 -0.36 3.87 0.00 -0.77 -2.25 119.26 122.12 3gcu h ALA 302 Ca 0.12 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3gcu h ALA 302 Cb 0.61 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3gcu h ALA 302 CO 0.04 0.54 0.19 -0.07 0.00 0.00 0.00 179.25 179.95 3gcu h LEU 303 N 0.00 0.43 -0.91 0.00 3.38 -1.31 -2.20 115.31 114.70 3gcu h LEU 303 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3gcu h LEU 303 Cb 0.78 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3gcu h LEU 303 CO 0.06 0.35 0.00 0.00 0.09 0.00 0.00 178.44 178.94 3gcu n ALA 304 N -2.48 2.54 -1.76 1.53 0.00 -0.85 -4.71 120.51 114.77 3gcu n ALA 304 Ca 0.02 -0.45 -0.40 0.00 0.00 0.00 0.00 53.44 52.61 3gcu n ALA 304 Cb 0.10 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 3gcu n ALA 304 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3gcu s HIS 305 N -1.84 3.32 0.53 0.00 5.04 -0.83 -4.91 115.29 116.60 3gcu s HIS 305 Ca 0.32 1.57 0.35 0.00 -1.54 0.00 0.00 55.06 55.76 3gcu s HIS 305 Cb 0.17 -3.46 1.51 0.00 0.04 0.00 0.00 32.58 30.83 3gcu s HIS 305 CO 0.26 -1.16 1.79 0.00 -2.34 0.00 0.00 174.74 173.29 3gcu h ALA 306 N 3.55 3.03 -0.46 1.58 0.00 -1.90 -1.19 119.26 123.86 3gcu h ALA 306 Ca -0.48 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 54.52 3gcu h ALA 306 Cb 1.22 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 3gcu h ALA 306 CO 0.66 -1.39 0.33 -0.92 0.00 0.00 0.00 179.25 177.93 3gcu h TYR 307 N 0.05 0.14 -0.73 0.00 3.20 -1.91 -1.43 116.97 116.28 3gcu h TYR 307 Ca 0.58 0.00 -0.27 0.00 3.14 0.00 0.00 58.73 62.18 3gcu h TYR 307 Cb 2.21 -0.04 -0.16 0.00 1.54 0.00 0.00 36.73 40.28 3gcu h TYR 307 CO -0.00 0.06 0.31 1.19 -1.64 0.00 0.00 178.16 178.08 3gcu n PHE 308 N -4.44 2.36 -0.11 -3.82 3.01 -0.45 -4.69 117.46 109.32 3gcu n PHE 308 Ca 0.08 -1.38 0.05 0.00 1.01 0.00 0.00 57.45 57.21 3gcu n PHE 308 Cb 0.45 -0.70 0.37 0.00 -0.01 0.00 0.00 39.48 39.59 3gcu n PHE 308 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3gcu h ALA 309 N 2.04 1.69 0.00 4.37 0.00 -1.40 0.45 119.26 126.41 3gcu h ALA 309 Ca 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3gcu h ALA 309 Cb 2.33 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.93 3gcu h ALA 309 CO 0.76 0.25 0.00 0.00 0.00 0.00 0.00 179.25 180.25 3gcu n GLN 310 N -4.46 0.03 -0.01 0.00 10.64 -1.26 -4.16 117.38 118.16 3gcu n GLN 310 Ca 0.07 0.13 -0.01 0.00 -1.83 0.00 0.00 57.00 55.36 3gcu n GLN 310 Cb 0.14 -1.50 -0.01 0.00 -0.86 0.00 0.00 30.24 28.01 3gcu n GLN 310 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3gcu n TYR 311 N -1.48 0.00 -1.69 2.61 4.02 -0.08 -5.06 117.16 115.48 3gcu n TYR 311 Ca 0.06 0.00 -0.44 0.00 -0.01 0.00 0.00 57.90 57.50 3gcu n TYR 311 Cb 0.24 -0.07 -0.04 0.00 -0.02 0.00 0.00 39.34 39.45 3gcu n TYR 311 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 3gcu n HIS 312 N -2.30 2.50 -3.52 -0.72 -0.00 -0.05 -5.01 115.22 106.13 3gcu n HIS 312 Ca -0.03 0.11 -0.27 0.00 0.46 0.00 0.00 57.72 57.99 3gcu n HIS 312 Cb 0.54 -2.62 -0.14 0.00 -0.12 0.00 0.00 29.99 27.65 3gcu n HIS 312 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 3gcu s ASP 313 N 1.43 3.21 0.57 0.26 -1.08 -1.26 -5.01 116.67 114.79 3gcu s ASP 313 Ca 0.79 -1.19 0.38 0.00 -0.52 0.00 0.00 52.55 52.01 3gcu s ASP 313 Cb -0.59 -0.20 2.05 0.00 -1.46 0.00 0.00 42.92 42.72 3gcu s ASP 313 CO 0.37 -0.43 2.17 1.55 0.52 0.00 0.00 175.17 179.34 3gcu h PRO 314 N 8.38 0.00 -0.42 4.34 0.13 -1.97 0.11 132.00 142.58 3gcu h PRO 314 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 3gcu h PRO 314 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 3gcu h PRO 314 CO 0.42 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.94 3gcu n ASP 315 N -2.86 2.59 -2.82 1.44 8.00 -1.26 -4.09 116.55 117.54 3gcu n ASP 315 Ca -0.02 -1.94 -0.01 0.00 0.71 0.00 0.00 54.79 53.53 3gcu n ASP 315 Cb 0.08 -0.28 0.05 0.00 -0.02 0.00 0.00 41.12 40.95 3gcu n ASP 315 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3gcu n ASP 316 N 0.91 1.55 -3.30 -2.24 4.64 0.37 -4.91 116.55 113.57 3gcu n ASP 316 Ca 0.17 -2.08 -0.25 0.00 -1.38 0.00 0.00 54.79 51.25 3gcu n ASP 316 Cb 0.43 -0.48 -0.08 0.00 -1.04 0.00 0.00 41.12 39.95 3gcu n ASP 316 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3gcu n GLU 317 N -0.56 1.50 -1.31 -0.67 1.02 -1.20 -4.88 120.64 114.54 3gcu n GLU 317 Ca 0.07 -3.86 -0.29 0.00 -0.02 0.00 0.00 57.16 53.06 3gcu n GLU 317 Cb 0.80 -1.68 0.16 0.00 -0.02 0.00 0.00 31.44 30.70 3gcu n GLU 317 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3gcu s PRO 318 N -1.73 0.81 0.40 3.49 0.04 -1.26 -4.97 135.00 131.79 3gcu s PRO 318 Ca 0.37 0.47 0.07 0.00 0.04 0.00 0.00 61.00 61.95 3gcu s PRO 318 Cb 0.16 -1.79 -0.08 0.00 0.04 0.00 0.00 34.50 32.83 3gcu s PRO 318 CO -0.07 -2.46 0.00 0.14 0.04 0.00 0.00 177.00 174.65 3gcu s VAL 319 N -3.08 2.00 0.85 -0.36 -7.23 -1.26 -4.20 120.40 107.12 3gcu s VAL 319 Ca 0.64 -2.01 -0.11 0.00 -1.81 0.00 0.00 61.98 58.69 3gcu s VAL 319 Cb -0.17 -2.97 0.10 0.00 0.56 0.00 0.00 36.38 33.90 3gcu s VAL 319 CO 0.56 -0.01 1.09 0.00 -0.31 0.00 0.00 175.10 176.43 3gcu s ALA 320 N -2.72 1.80 1.00 1.32 0.00 -1.26 -5.04 121.76 116.87 3gcu s ALA 320 Ca 0.35 0.12 -0.16 0.00 0.00 0.00 0.00 51.96 52.27 3gcu s ALA 320 Cb 0.09 -3.25 0.20 0.00 0.00 0.00 0.00 23.12 20.17 3gcu s ALA 320 CO 0.18 -2.16 1.22 0.16 0.00 0.00 0.00 175.76 175.16 3gcu s ASP 321 N -3.34 2.74 0.00 0.00 3.84 -1.26 -4.95 116.67 113.70 3gcu s ASP 321 Ca 0.63 0.53 0.30 0.00 -0.00 0.00 0.00 52.55 54.01 3gcu s ASP 321 Cb -0.18 -0.76 1.55 0.00 -1.38 0.00 0.00 42.92 42.15 3gcu s ASP 321 CO 0.57 -2.99 2.05 -0.81 -0.00 0.00 0.00 175.17 173.99 3gcu n PRO 322 N -3.98 0.52 -2.04 2.11 -0.04 -1.26 -4.88 135.00 125.43 3gcu n PRO 322 Ca 0.12 0.01 -0.42 0.00 -0.04 0.00 0.00 63.50 63.18 3gcu n PRO 322 Cb 0.60 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.53 3gcu n PRO 322 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3gcu s TYR 323 N -2.46 3.08 0.02 0.54 2.02 -1.26 -4.93 117.35 114.35 3gcu s TYR 323 Ca 0.31 0.97 -0.30 0.00 -0.37 0.00 0.00 57.07 57.68 3gcu s TYR 323 Cb 0.20 -3.80 -0.07 0.00 -0.40 0.00 0.00 41.96 37.89 3gcu s TYR 323 CO 0.43 -2.68 1.54 0.34 -1.57 0.00 0.00 175.55 173.61 3gcu s ASP 324 N 0.58 6.72 -0.01 2.29 -1.08 -1.26 -4.89 116.67 119.02 3gcu s ASP 324 Ca 0.61 2.28 0.07 0.00 -0.52 0.00 0.00 52.55 54.99 3gcu s ASP 324 Cb -0.41 -2.56 0.19 0.00 -1.46 0.00 0.00 42.92 38.69 3gcu s ASP 324 CO 0.39 -0.82 1.16 0.00 0.52 0.00 0.00 175.17 176.42 3gcu n GLN 325 N 5.75 2.89 -3.55 4.34 1.13 -1.26 -4.82 117.38 121.85 3gcu n GLN 325 Ca 0.15 -1.88 -0.28 0.00 -1.94 0.00 0.00 57.00 53.06 3gcu n GLN 325 Cb 0.42 -1.19 -0.11 0.00 0.11 0.00 0.00 30.24 29.47 3gcu n GLN 325 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3gcu s SER 326 N -1.08 2.58 -0.54 1.08 0.15 -1.26 -4.91 113.70 109.73 3gcu s SER 326 Ca 0.15 -3.19 0.07 0.00 0.70 0.00 0.00 55.95 53.68 3gcu s SER 326 Cb 0.08 -0.79 0.30 0.00 -1.71 0.00 0.00 66.02 63.90 3gcu s SER 326 CO 0.09 -0.16 0.80 2.22 1.20 0.00 0.00 173.24 177.38 3gcu n PHE 327 N 2.74 2.70 0.05 3.44 1.16 -1.26 -4.88 117.46 121.41 3gcu n PHE 327 Ca 0.24 -3.96 -0.02 0.00 -1.87 0.00 0.00 57.45 51.85 3gcu n PHE 327 Cb 0.43 -0.48 0.25 0.00 -1.61 0.00 0.00 39.48 38.07 3gcu n PHE 327 CO 0.00 0.00 0.00 0.93 -1.87 0.00 0.00 176.76 175.82 3gcu h GLU 328 N 3.47 0.39 0.00 3.97 4.39 -2.02 -3.19 114.58 121.59 3gcu h GLU 328 Ca 0.14 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 3gcu h GLU 328 Cb 0.68 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.30 3gcu h GLU 328 CO 0.72 0.60 -0.05 0.66 -1.16 0.00 0.00 179.01 179.78 3gcu h SER 329 N 0.35 0.00 -2.83 1.42 4.64 -2.05 -3.43 113.55 111.65 3gcu h SER 329 Ca 0.06 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.81 3gcu h SER 329 Cb 0.60 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.66 3gcu h SER 329 CO 0.04 0.05 0.98 -0.13 -0.87 0.00 0.00 176.83 176.90 3gcu s ARG 330 N -4.28 4.16 -0.64 4.77 0.52 -1.21 -4.94 118.95 117.33 3gcu s ARG 330 Ca -0.04 1.78 0.06 0.00 -0.52 0.00 0.00 55.73 57.01 3gcu s ARG 330 Cb 0.13 -3.86 0.22 0.00 0.52 0.00 0.00 34.95 31.97 3gcu s ARG 330 CO 0.54 -0.82 0.64 -3.47 0.02 0.00 0.00 175.30 172.21 3gcu n ASP 331 N 6.97 3.14 -5.00 0.23 4.64 -1.26 -5.08 116.55 120.19 3gcu n ASP 331 Ca 0.15 -3.28 -0.20 0.00 -1.38 0.00 0.00 54.79 50.08 3gcu n ASP 331 Cb 0.44 -0.69 0.06 0.00 -1.04 0.00 0.00 41.12 39.89 3gcu n ASP 331 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3gcu s LEU 332 N -1.99 3.15 0.07 -2.67 1.02 -1.26 -5.12 118.68 111.89 3gcu s LEU 332 Ca 0.35 -0.75 0.02 0.00 0.02 0.00 0.00 54.13 53.76 3gcu s LEU 332 Cb 0.09 -1.79 -0.04 0.00 0.02 0.00 0.00 46.19 44.47 3gcu s LEU 332 CO -0.07 -1.33 0.15 -0.76 0.02 0.00 0.00 176.35 174.36 3gcu s LEU 333 N -4.68 4.07 0.24 1.79 1.43 -1.26 -4.96 118.68 115.32 3gcu s LEU 333 Ca 0.61 0.12 0.09 0.00 -1.03 0.00 0.00 54.13 53.93 3gcu s LEU 333 Cb -0.06 -2.71 0.78 0.00 0.03 0.00 0.00 46.19 44.22 3gcu s LEU 333 CO 0.39 0.17 1.11 -0.38 0.23 0.00 0.00 176.35 177.86 3gcu n ILE 334 N 0.33 -0.30 0.02 -0.59 5.41 -1.26 0.47 119.36 123.45 3gcu n ILE 334 Ca -0.07 1.48 0.00 0.00 1.00 0.00 0.00 62.75 65.16 3gcu n ILE 334 Cb 0.51 -2.30 0.31 0.00 -0.71 0.00 0.00 39.64 37.45 3gcu n ILE 334 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 3gcu h ASP 335 N 0.00 0.44 0.13 4.38 3.32 -1.95 0.34 116.42 123.08 3gcu h ASP 335 Ca 0.53 -0.09 -0.17 0.00 0.02 0.00 0.00 57.03 57.31 3gcu h ASP 335 Cb 1.29 -0.12 0.02 0.00 0.22 0.00 0.00 39.33 40.74 3gcu h ASP 335 CO -0.59 0.54 -0.76 -0.08 -1.72 0.00 0.00 179.24 176.63 3gcu h GLU 336 N 0.45 0.28 -0.82 3.56 4.81 -0.38 -1.97 114.58 120.51 3gcu h GLU 336 Ca 0.09 -0.48 0.10 0.00 -0.13 0.00 0.00 59.36 58.94 3gcu h GLU 336 Cb 0.37 0.18 -0.08 0.00 0.63 0.00 0.00 28.75 29.85 3gcu h GLU 336 CO 0.02 1.23 0.46 -1.49 -0.73 0.00 0.00 179.01 178.50 3gcu h TRP 337 N -0.41 0.83 -0.13 0.92 -0.00 -1.47 0.18 115.95 115.88 3gcu h TRP 337 Ca -0.13 0.03 0.04 0.00 -0.00 0.00 0.00 58.89 58.83 3gcu h TRP 337 Cb 1.60 -0.25 -0.04 0.00 -0.00 0.00 0.00 29.16 30.47 3gcu h TRP 337 CO 0.20 0.32 -0.12 -0.22 -0.00 0.00 0.00 178.44 178.62 3gcu h LYS 338 N 0.76 -0.14 -0.21 0.49 3.64 -0.87 -0.47 116.57 119.76 3gcu h LYS 338 Ca 0.40 0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.62 3gcu h LYS 338 Cb 0.41 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3gcu h LYS 338 CO -0.26 -0.09 -0.58 0.66 -2.27 0.00 0.00 179.45 176.90 3gcu h SER 339 N -0.14 0.75 -0.31 4.20 4.64 -0.92 -0.30 113.55 121.47 3gcu h SER 339 Ca 0.09 -0.42 0.07 0.00 -0.47 0.00 0.00 61.79 61.06 3gcu h SER 339 Cb 0.27 -0.22 -0.07 0.00 -0.31 0.00 0.00 62.40 62.08 3gcu h SER 339 CO -0.21 1.17 -0.12 -0.07 -0.87 0.00 0.00 176.83 176.73 3gcu h LEU 340 N 0.51 -0.41 -0.29 5.97 3.38 -0.92 -0.79 115.31 122.76 3gcu h LEU 340 Ca 0.00 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.11 3gcu h LEU 340 Cb 1.15 0.24 -0.03 0.00 0.09 0.00 0.00 40.66 42.11 3gcu h LEU 340 CO 0.12 -0.15 0.09 0.74 0.09 0.00 0.00 178.44 179.33 3gcu h THR 341 N -0.06 0.91 -0.69 0.22 2.02 -0.84 -2.38 112.91 112.09 3gcu h THR 341 Ca 0.16 -0.07 0.06 0.00 0.77 0.00 0.00 66.41 67.32 3gcu h THR 341 Cb 0.30 0.68 -0.06 0.00 -1.74 0.00 0.00 68.15 67.33 3gcu h THR 341 CO -0.36 0.04 0.39 0.22 0.37 0.00 0.00 175.52 176.19 3gcu h TYR 342 N 0.21 0.72 -0.59 3.16 3.20 -0.63 -1.18 116.97 121.85 3gcu h TYR 342 Ca 0.13 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.05 3gcu h TYR 342 Cb 0.11 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.11 3gcu h TYR 342 CO -0.14 0.35 0.35 -0.44 -1.64 0.00 0.00 178.16 176.64 3gcu h ASP 343 N 0.72 0.57 0.11 -2.11 3.32 -1.04 -2.01 116.42 115.99 3gcu h ASP 343 Ca 0.31 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.29 3gcu h ASP 343 Cb 0.18 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3gcu h ASP 343 CO -0.18 0.40 -0.24 -0.33 -1.72 0.00 0.00 179.24 177.17 3gcu h GLU 344 N 0.70 0.23 -0.09 3.56 4.39 -0.75 -1.49 114.58 121.13 3gcu h GLU 344 Ca 0.24 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.85 3gcu h GLU 344 Cb 0.04 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.67 3gcu h GLU 344 CO -0.11 0.47 -0.02 0.28 -1.16 0.00 0.00 179.01 178.46 3gcu h VAL 345 N 0.21 1.29 -0.29 3.13 2.07 -1.05 -3.02 116.25 118.59 3gcu h VAL 345 Ca 0.04 -0.94 -0.06 0.00 0.82 0.00 0.00 66.70 66.55 3gcu h VAL 345 Cb 0.55 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 3gcu h VAL 345 CO 0.04 0.26 -0.08 0.40 0.02 0.00 0.00 177.57 178.21 3gcu h ILE 346 N -0.16 1.21 -0.00 4.57 2.04 -1.17 -2.85 117.51 121.15 3gcu h ILE 346 Ca 0.02 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 64.97 3gcu h ILE 346 Cb 0.42 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 3gcu h ILE 346 CO 0.01 0.30 -0.10 -1.54 0.00 0.00 0.00 178.15 176.82 3gcu n SER 347 N -4.24 0.32 -4.72 1.72 3.41 -0.58 -4.92 113.62 104.62 3gcu n SER 347 Ca 0.01 -0.35 -0.42 0.00 -0.26 0.00 0.00 58.87 57.84 3gcu n SER 347 Cb 0.29 -0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 64.07 3gcu n SER 347 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3gcu s PHE 348 N -2.58 2.98 -0.22 7.33 5.36 -1.08 -4.99 117.98 124.78 3gcu s PHE 348 Ca 0.26 0.55 -0.00 0.00 -0.96 0.00 0.00 56.93 56.78 3gcu s PHE 348 Cb 0.20 -4.02 0.02 0.00 -0.34 0.00 0.00 43.02 38.89 3gcu s PHE 348 CO 0.49 -3.74 -0.13 0.08 -1.46 0.00 0.00 175.22 170.47 3gcu s VAL 349 N 1.01 2.49 0.50 3.12 1.01 -1.26 -5.08 120.40 122.18 3gcu s VAL 349 Ca 0.71 -1.01 -0.22 0.00 0.00 0.00 0.00 61.98 61.46 3gcu s VAL 349 Cb -0.46 -2.19 -0.08 0.00 0.00 0.00 0.00 36.38 33.65 3gcu s VAL 349 CO 0.33 0.34 1.02 -2.65 0.00 0.00 0.00 175.10 174.15 3gcu n PRO 350 N 4.63 1.24 -2.10 2.72 -0.02 -1.26 -4.99 135.00 135.22 3gcu n PRO 350 Ca -0.18 0.45 -0.34 0.00 -2.02 0.00 0.00 63.50 61.41 3gcu n PRO 350 Cb 0.48 -2.15 0.01 0.00 -0.02 0.00 0.00 33.50 31.82 3gcu n PRO 350 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3gcu s PRO 351 N -2.37 3.23 0.00 0.52 0.04 -1.26 -5.15 135.00 130.00 3gcu s PRO 351 Ca 0.68 1.43 0.00 0.00 0.04 0.00 0.00 61.00 63.15 3gcu s PRO 351 Cb -0.48 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.05 3gcu s PRO 351 CO 0.53 -0.91 0.22 -0.35 0.04 0.00 0.00 177.00 176.53