#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q3g n ASP 2 N 0.00 0.48 -4.09 6.12 9.92 -1.26 -0.82 116.55 126.89 1q3g n ASP 2 Ca 0.00 0.77 -0.10 0.00 -0.53 0.00 0.00 54.79 54.93 1q3g n ASP 2 Cb 0.00 -1.36 -0.09 0.00 -0.64 0.00 0.00 41.12 39.03 1q3g n ASP 2 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1q3g s LYS 3 N -2.75 1.11 -0.14 -1.24 1.02 -0.71 -3.03 119.74 114.00 1q3g s LYS 3 Ca 0.76 -1.39 0.01 0.00 0.02 0.00 0.00 55.97 55.37 1q3g s LYS 3 Cb -0.41 0.31 -0.00 0.00 -0.52 0.00 0.00 37.83 37.21 1q3g s LYS 3 CO 0.48 -0.37 -0.18 -0.06 -0.92 0.00 0.00 175.35 174.30 1q3g s PHE 4 N -4.05 2.72 -0.24 3.18 2.99 -0.63 -0.62 117.98 121.33 1q3g s PHE 4 Ca 0.25 -1.02 -0.08 0.00 0.00 0.00 0.00 56.93 56.09 1q3g s PHE 4 Cb 0.05 -1.83 -0.03 0.00 0.00 0.00 0.00 43.02 41.21 1q3g s PHE 4 CO 0.04 -0.43 0.08 0.50 -0.00 0.00 0.00 175.22 175.41 1q3g s ARG 5 N 0.62 3.72 -0.05 0.44 3.52 0.93 -1.00 118.95 127.13 1q3g s ARG 5 Ca -0.10 -0.45 0.06 0.00 -0.13 0.00 0.00 55.73 55.12 1q3g s ARG 5 Cb -0.16 -3.33 -0.01 0.00 -1.56 0.00 0.00 34.95 29.88 1q3g s ARG 5 CO 0.03 -0.12 -0.24 0.08 -0.81 0.00 0.00 175.30 174.23 1q3g s VAL 6 N 1.46 2.15 -0.10 7.11 1.01 0.11 -1.57 120.40 130.56 1q3g s VAL 6 Ca 0.06 -1.05 -0.03 0.00 0.00 0.00 0.00 61.98 60.96 1q3g s VAL 6 Cb -0.15 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 1q3g s VAL 6 CO 0.04 0.57 0.01 -1.10 0.00 0.00 0.00 175.10 174.63 1q3g s GLN 7 N -0.33 3.16 0.28 2.72 -1.52 0.62 -0.42 119.66 124.17 1q3g s GLN 7 Ca 0.02 -0.39 -0.07 0.00 -1.95 0.00 0.00 55.36 52.97 1q3g s GLN 7 Cb -0.12 -2.87 -0.01 0.00 -0.22 0.00 0.00 33.01 29.79 1q3g s GLN 7 CO 0.02 0.63 0.43 0.20 -0.25 0.00 0.00 175.29 176.32 1q3g s GLY 8 N -0.68 1.06 0.32 3.09 0.00 -0.07 -4.21 107.32 106.84 1q3g s GLY 8 Ca 0.11 -1.26 -0.16 0.00 0.00 0.00 0.00 44.72 43.41 1q3g s GLY 8 CO 0.02 -0.89 0.75 2.56 0.00 0.00 0.00 173.10 175.54 1q3g s PRO 9 N -3.62 4.03 -0.04 2.90 0.04 -0.88 -1.26 135.00 136.16 1q3g s PRO 9 Ca 0.28 0.71 -0.02 0.00 0.04 0.00 0.00 61.00 62.01 1q3g s PRO 9 Cb 0.01 -2.44 0.03 0.00 0.04 0.00 0.00 34.50 32.14 1q3g s PRO 9 CO 0.14 0.16 0.09 0.95 0.04 0.00 0.00 177.00 178.38 1q3g s THR 10 N -1.97 -0.05 -0.01 1.26 -4.23 0.14 -4.99 115.64 105.79 1q3g s THR 10 Ca 0.54 0.18 -0.30 0.00 -1.18 0.00 0.00 61.69 60.93 1q3g s THR 10 Cb -0.10 -0.16 -0.05 0.00 1.34 0.00 0.00 72.50 73.53 1q3g s THR 10 CO 0.17 0.07 1.27 -0.60 -0.54 0.00 0.00 174.62 175.00 1q3g s ARG 11 N 1.03 4.34 -0.22 3.99 3.52 -1.26 -4.60 118.95 125.75 1q3g s ARG 11 Ca -0.08 1.81 -0.17 0.00 -0.13 0.00 0.00 55.73 57.15 1q3g s ARG 11 Cb -0.11 -3.51 -0.03 0.00 -1.56 0.00 0.00 34.95 29.74 1q3g s ARG 11 CO -0.04 -0.45 0.47 -0.51 -0.81 0.00 0.00 175.30 173.96 1q3g s LEU 12 N 2.00 4.12 0.15 -0.88 1.43 -1.26 -4.60 118.68 119.63 1q3g s LEU 12 Ca 0.59 0.55 -0.23 0.00 -1.03 0.00 0.00 54.13 54.02 1q3g s LEU 12 Cb -0.28 -2.61 0.07 0.00 0.03 0.00 0.00 46.19 43.39 1q3g s LEU 12 CO 0.25 -0.18 0.63 0.00 0.23 0.00 0.00 176.35 177.29 1q3g s GLN 13 N 1.74 1.28 0.00 1.70 -2.07 0.03 -3.70 119.66 118.63 1q3g s GLN 13 Ca 0.21 -0.49 0.00 0.00 -1.82 0.00 0.00 55.36 53.26 1q3g s GLN 13 Cb -0.15 0.57 0.00 0.00 -1.09 0.00 0.00 33.01 32.34 1q3g s GLN 13 CO 0.09 -0.56 0.00 0.41 -1.32 0.00 0.00 175.29 173.91 1q3g n GLY 14 N -0.37 0.22 3.17 2.60 0.00 -0.20 -4.33 105.19 106.28 1q3g n GLY 14 Ca -0.16 -1.49 -0.11 0.00 0.00 0.00 0.00 46.02 44.27 1q3g n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q3g s GLU 15 N -0.35 0.84 -0.09 1.61 2.02 -1.26 -1.65 118.70 119.81 1q3g s GLU 15 Ca 0.00 -1.34 -0.18 0.00 0.02 0.00 0.00 54.97 53.47 1q3g s GLU 15 Cb 0.00 -0.21 0.04 0.00 0.10 0.00 0.00 34.13 34.06 1q3g s GLU 15 CO 0.00 -0.02 0.44 0.54 0.02 0.00 0.00 175.26 176.25 1q3g s VAL 16 N -3.62 0.02 -0.24 2.63 0.11 -0.92 -4.82 120.40 113.56 1q3g s VAL 16 Ca 0.12 -0.18 -0.06 0.00 -2.93 0.00 0.00 61.98 58.93 1q3g s VAL 16 Cb 0.05 -0.70 -0.02 0.00 -1.53 0.00 0.00 36.38 34.19 1q3g s VAL 16 CO -0.05 -0.10 0.04 -0.89 -3.33 0.00 0.00 175.10 170.77 1q3g s THR 17 N -0.60 4.03 0.22 5.04 2.01 -1.26 -0.53 115.64 124.54 1q3g s THR 17 Ca -0.07 -0.29 -0.30 0.00 0.31 0.00 0.00 61.69 61.34 1q3g s THR 17 Cb -0.03 -2.88 -0.09 0.00 0.01 0.00 0.00 72.50 69.50 1q3g s THR 17 CO 0.04 0.35 1.29 -0.63 -0.69 0.00 0.00 174.62 174.98 1q3g s ILE 18 N 1.57 3.19 0.77 1.82 -1.09 -0.16 -4.94 121.20 122.36 1q3g s ILE 18 Ca 0.06 1.01 -0.07 0.00 -2.23 0.00 0.00 60.65 59.42 1q3g s ILE 18 Cb -0.15 -3.64 0.11 0.00 -1.58 0.00 0.00 42.46 37.20 1q3g s ILE 18 CO 0.02 0.17 1.08 -0.44 -1.23 0.00 0.00 174.94 174.53 1q3g s SER 19 N 0.18 4.26 0.63 3.58 0.01 -1.26 -4.81 113.70 116.29 1q3g s SER 19 Ca 0.55 0.15 -0.18 0.00 1.31 0.00 0.00 55.95 57.78 1q3g s SER 19 Cb -0.36 -0.57 -0.02 0.00 0.21 0.00 0.00 66.02 65.28 1q3g s SER 19 CO 0.40 -1.95 1.26 -0.83 0.41 0.00 0.00 173.24 172.53 1q3g s GLY 20 N -4.67 2.80 0.03 3.44 0.00 -1.18 -1.62 107.32 106.11 1q3g s GLY 20 Ca 0.65 1.13 -0.30 0.00 0.00 0.00 0.00 44.72 46.20 1q3g s GLY 20 CO 0.46 1.55 1.63 0.00 0.00 0.00 0.00 173.10 176.74 1q3g s ALA 21 N -1.49 3.65 0.16 3.20 0.00 0.58 -4.32 121.76 123.54 1q3g s ALA 21 Ca 0.81 1.10 -0.16 0.00 0.00 0.00 0.00 51.96 53.71 1q3g s ALA 21 Cb -0.35 -3.70 0.04 0.00 0.00 0.00 0.00 23.12 19.12 1q3g s ALA 21 CO 0.38 -1.16 1.79 -0.22 0.00 0.00 0.00 175.76 176.54 1q3g h LYS 22 N 8.60 0.41 -0.15 0.00 3.64 -1.90 -1.29 116.57 125.88 1q3g h LYS 22 Ca -0.41 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1q3g h LYS 22 Cb 1.19 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1q3g h LYS 22 CO 0.93 0.27 0.00 0.09 -2.27 0.00 0.00 179.45 178.47 1q3g n ASN 23 N -4.90 0.15 -0.02 4.20 3.02 -1.26 -1.78 115.26 114.67 1q3g n ASN 23 Ca 0.01 -1.94 -0.03 0.00 -0.03 0.00 0.00 54.58 52.59 1q3g n ASN 23 Cb 0.08 -0.07 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 1q3g n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1q3g n ALA 24 N -0.42 1.99 -0.16 5.41 0.00 -1.00 -4.48 120.51 121.85 1q3g n ALA 24 Ca 0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 53.44 53.19 1q3g n ALA 24 Cb 0.04 0.41 0.01 0.00 0.00 0.00 0.00 19.45 19.91 1q3g n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q3g h ALA 25 N -0.01 0.60 0.47 0.00 0.00 -1.11 -1.88 119.26 117.32 1q3g h ALA 25 Ca -0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1q3g h ALA 25 Cb 1.13 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1q3g h ALA 25 CO -0.02 0.17 -0.22 -0.07 0.00 0.00 0.00 179.25 179.11 1q3g h LEU 26 N 0.60 -0.53 -1.39 0.00 3.38 -1.60 0.14 115.31 115.91 1q3g h LEU 26 Ca 0.16 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 1q3g h LEU 26 Cb 0.14 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1q3g h LEU 26 CO -0.02 -0.38 -0.21 1.55 0.09 0.00 0.00 178.44 179.47 1q3g h PRO 27 N -0.63 0.13 -0.34 1.13 0.13 -1.78 -2.38 132.00 128.26 1q3g h PRO 27 Ca -0.06 -0.04 -0.17 0.00 -0.87 0.00 0.00 66.00 64.86 1q3g h PRO 27 Cb 0.48 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.59 1q3g h PRO 27 CO 0.11 0.35 -0.44 0.82 -0.23 0.00 0.00 178.00 178.61 1q3g h ILE 28 N 0.12 1.28 -0.83 -3.56 2.04 -1.14 -0.42 117.51 115.00 1q3g h ILE 28 Ca 0.02 -1.62 -0.02 0.00 1.00 0.00 0.00 64.86 64.24 1q3g h ILE 28 Cb 0.45 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 1q3g h ILE 28 CO 0.03 0.53 0.43 -0.07 0.00 0.00 0.00 178.15 179.08 1q3g h LEU 29 N 0.71 1.06 -0.40 1.44 3.38 -0.38 -1.25 115.31 119.88 1q3g h LEU 29 Ca 0.05 -0.11 -0.18 0.00 0.09 0.00 0.00 57.88 57.73 1q3g h LEU 29 Cb 1.03 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1q3g h LEU 29 CO 0.10 0.87 -0.78 -0.26 0.09 0.00 0.00 178.44 178.46 1q3g h PHE 30 N 1.17 0.38 0.00 1.13 -1.00 -1.34 -2.85 116.94 114.43 1q3g h PHE 30 Ca 0.29 -0.18 -0.02 0.00 2.81 0.00 0.00 57.97 60.87 1q3g h PHE 30 Cb 0.06 -0.05 -0.00 0.00 3.61 0.00 0.00 35.95 39.57 1q3g h PHE 30 CO 0.01 0.94 -0.10 0.00 -1.61 0.00 0.00 178.31 177.56 1q3g h ALA 31 N 1.00 1.50 0.00 2.45 0.00 -0.46 -1.57 119.26 122.19 1q3g h ALA 31 Ca -0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1q3g h ALA 31 Cb 1.36 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 1q3g h ALA 31 CO 0.12 0.12 -0.01 0.00 0.00 0.00 0.00 179.25 179.49 1q3g h ALA 32 N 1.90 1.06 0.00 0.00 0.00 -0.99 -0.95 119.26 120.28 1q3g h ALA 32 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1q3g h ALA 32 Cb 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1q3g h ALA 32 CO 0.01 0.01 0.00 -0.07 0.00 0.00 0.00 179.25 179.20 1q3g h LEU 33 N 0.00 0.00 0.00 0.00 3.38 -1.42 0.57 115.31 117.84 1q3g h LEU 33 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1q3g h LEU 33 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1q3g h LEU 33 CO 0.00 0.00 -0.56 -0.07 0.09 0.00 0.00 178.44 177.90 1q3g h LEU 34 N 0.00 0.00 -9.49 1.67 3.38 -1.38 -3.47 115.31 106.02 1q3g h LEU 34 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1q3g h LEU 34 Cb 0.01 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.77 1q3g h LEU 34 CO 0.00 0.14 0.61 0.00 0.09 0.00 0.00 178.44 179.28 1q3g s ALA 35 N -3.19 3.45 -0.12 1.53 0.00 0.19 -4.25 121.76 119.37 1q3g s ALA 35 Ca 0.03 0.92 0.18 0.00 0.00 0.00 0.00 51.96 53.09 1q3g s ALA 35 Cb 0.07 -3.47 -0.19 0.00 0.00 0.00 0.00 23.12 19.53 1q3g s ALA 35 CO 0.74 -0.50 0.62 0.39 0.00 0.00 0.00 175.76 177.01 1q3g n GLU 36 N 3.99 0.64 -4.35 0.00 1.02 -0.43 -4.27 120.64 117.23 1q3g n GLU 36 Ca 0.10 0.12 -0.31 0.00 -0.02 0.00 0.00 57.16 57.04 1q3g n GLU 36 Cb 0.45 -1.71 -0.10 0.00 -0.02 0.00 0.00 31.44 30.06 1q3g n GLU 36 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1q3g s GLU 37 N -2.92 2.46 0.22 3.49 2.02 -0.91 -4.33 118.70 118.74 1q3g s GLU 37 Ca -0.05 -0.81 -0.27 0.00 0.02 0.00 0.00 54.97 53.86 1q3g s GLU 37 Cb 0.09 -2.47 -0.17 0.00 0.10 0.00 0.00 34.13 31.68 1q3g s GLU 37 CO 0.83 0.57 0.52 -2.30 0.02 0.00 0.00 175.26 174.90 1q3g n PRO 38 N 1.20 0.10 -4.18 0.39 -0.02 -1.26 -3.47 135.00 127.76 1q3g n PRO 38 Ca -0.14 0.04 -0.18 0.00 -2.02 0.00 0.00 63.50 61.19 1q3g n PRO 38 Cb 0.52 -1.07 -0.12 0.00 -0.02 0.00 0.00 33.50 32.82 1q3g n PRO 38 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1q3g s VAL 39 N -1.06 1.13 -0.13 -1.45 1.01 -0.02 -1.64 120.40 118.24 1q3g s VAL 39 Ca 0.63 -1.34 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 1q3g s VAL 39 Cb -0.89 -1.11 0.03 0.00 0.00 0.00 0.00 36.38 34.41 1q3g s VAL 39 CO 0.57 -0.24 -0.07 -0.70 0.00 0.00 0.00 175.10 174.66 1q3g s GLU 40 N -1.81 1.52 -0.31 2.72 2.12 0.11 -0.50 118.70 122.54 1q3g s GLU 40 Ca -0.01 -0.33 -0.09 0.00 0.36 0.00 0.00 54.97 54.90 1q3g s GLU 40 Cb -0.10 -1.72 0.00 0.00 0.26 0.00 0.00 34.13 32.58 1q3g s GLU 40 CO 0.02 -0.31 0.14 0.42 -0.54 0.00 0.00 175.26 174.99 1q3g s ILE 41 N 1.68 4.41 0.41 -3.70 1.01 -0.11 -1.35 121.20 123.56 1q3g s ILE 41 Ca 0.04 -0.54 -0.02 0.00 0.00 0.00 0.00 60.65 60.14 1q3g s ILE 41 Cb -0.13 -3.27 -0.03 0.00 0.01 0.00 0.00 42.46 39.03 1q3g s ILE 41 CO -0.08 0.05 0.65 -1.10 0.00 0.00 0.00 174.94 174.46 1q3g s GLN 42 N 1.57 3.43 -1.51 2.79 -0.21 0.13 -0.51 119.66 125.34 1q3g s GLN 42 Ca 0.04 -0.17 -0.06 0.00 0.02 0.00 0.00 55.36 55.19 1q3g s GLN 42 Cb -0.17 -2.54 0.01 0.00 1.00 0.00 0.00 33.01 31.30 1q3g s GLN 42 CO 0.05 -0.05 0.76 -1.71 -2.12 0.00 0.00 175.29 172.22 1q3g n ASN 43 N -2.01 -6.19 -4.65 5.90 5.15 -1.06 -1.23 115.26 111.17 1q3g n ASN 43 Ca -0.02 -0.36 -0.42 0.00 -0.60 0.00 0.00 54.58 53.19 1q3g n ASN 43 Cb 0.56 -4.97 -0.04 0.00 -0.53 0.00 0.00 39.78 34.80 1q3g n ASN 43 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1q3g s VAL 44 N -3.22 4.86 0.68 3.44 1.01 -0.56 -3.12 120.40 123.49 1q3g s VAL 44 Ca 0.38 1.57 -0.15 0.00 0.00 0.00 0.00 61.98 63.78 1q3g s VAL 44 Cb -0.17 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 32.11 1q3g s VAL 44 CO 0.47 -0.03 1.16 -2.16 0.00 0.00 0.00 175.10 174.54 1q3g s PRO 45 N 2.58 2.51 -0.82 2.72 0.04 -1.26 -4.76 135.00 136.00 1q3g s PRO 45 Ca 0.36 1.61 -0.17 0.00 0.04 0.00 0.00 61.00 62.84 1q3g s PRO 45 Cb -0.16 -1.89 0.16 0.00 0.04 0.00 0.00 34.50 32.64 1q3g s PRO 45 CO 0.09 -1.52 0.91 0.15 0.04 0.00 0.00 177.00 176.68 1q3g s LYS 46 N -3.91 3.48 0.18 4.56 1.02 -1.26 -4.88 119.74 118.95 1q3g s LYS 46 Ca 0.72 -1.91 0.08 0.00 0.02 0.00 0.00 55.97 54.88 1q3g s LYS 46 Cb -0.26 -4.61 -0.04 0.00 -0.52 0.00 0.00 37.83 32.41 1q3g s LYS 46 CO 0.42 -1.56 -0.16 -0.51 -0.92 0.00 0.00 175.35 172.62 1q3g s LEU 47 N 1.82 2.50 0.29 3.17 1.43 -1.26 -4.58 118.68 122.05 1q3g s LEU 47 Ca 0.23 -0.94 0.01 0.00 -1.03 0.00 0.00 54.13 52.40 1q3g s LEU 47 Cb -0.11 -0.75 0.53 0.00 0.03 0.00 0.00 46.19 45.89 1q3g s LEU 47 CO -0.06 -0.10 1.87 0.50 0.23 0.00 0.00 176.35 178.78 1q3g h LYS 48 N 2.91 1.01 -0.01 1.70 3.11 -1.53 -0.84 116.57 122.91 1q3g h LYS 48 Ca -0.40 -0.06 -0.07 0.00 -2.81 0.00 0.00 60.65 57.31 1q3g h LYS 48 Cb 1.21 -0.23 -0.01 0.00 -1.00 0.00 0.00 32.23 32.21 1q3g h LYS 48 CO 0.56 0.67 -0.32 -0.44 -2.81 0.00 0.00 179.45 177.11 1q3g h ASP 49 N 1.04 0.01 0.09 4.20 3.32 -1.84 -1.53 116.42 121.72 1q3g h ASP 49 Ca 0.45 -0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.36 1q3g h ASP 49 Cb 0.35 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1q3g h ASP 49 CO -0.21 0.33 -0.49 0.40 -1.72 0.00 0.00 179.24 177.55 1q3g h ILE 50 N 0.01 1.32 -0.10 0.35 1.08 -1.48 -0.32 117.51 118.37 1q3g h ILE 50 Ca -0.00 -1.72 -0.02 0.00 -0.39 0.00 0.00 64.86 62.73 1q3g h ILE 50 Cb 0.57 1.73 -0.00 0.00 -3.07 0.00 0.00 36.82 36.05 1q3g h ILE 50 CO 0.04 0.53 0.00 0.44 -0.69 0.00 0.00 178.15 178.47 1q3g h ASP 51 N 0.37 0.18 -0.93 1.72 3.32 -1.00 -1.03 116.42 119.05 1q3g h ASP 51 Ca 0.02 -0.30 0.02 0.00 0.02 0.00 0.00 57.03 56.78 1q3g h ASP 51 Cb 1.00 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 40.45 1q3g h ASP 51 CO 0.09 0.44 0.61 0.74 -1.72 0.00 0.00 179.24 179.40 1q3g h THR 52 N -0.09 1.20 -0.40 0.35 2.02 -1.19 0.62 112.91 115.42 1q3g h THR 52 Ca 0.03 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.78 1q3g h THR 52 Cb 0.34 -0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.61 1q3g h THR 52 CO 0.00 0.22 0.19 0.74 0.37 0.00 0.00 175.52 177.05 1q3g h THR 53 N 1.22 1.17 -0.78 3.16 2.02 -0.91 -0.41 112.91 118.38 1q3g h THR 53 Ca 0.35 -0.50 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 1q3g h THR 53 Cb -0.08 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 1q3g h THR 53 CO -0.09 0.19 0.36 0.24 0.37 0.00 0.00 175.52 176.59 1q3g h MET 54 N 0.51 1.13 -0.15 6.66 2.07 -0.60 0.88 114.93 125.44 1q3g h MET 54 Ca 0.14 -0.17 0.01 0.00 -2.07 0.00 0.00 59.70 57.61 1q3g h MET 54 Cb 0.12 -0.20 -0.01 0.00 -1.87 0.00 0.00 31.60 29.64 1q3g h MET 54 CO -0.02 0.88 0.06 0.87 1.07 0.00 0.00 176.91 179.76 1q3g h LYS 55 N 1.11 0.13 0.04 1.72 1.57 -0.44 0.16 116.57 120.87 1q3g h LYS 55 Ca 0.27 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1q3g h LYS 55 Cb 0.13 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1q3g h LYS 55 CO -0.03 0.08 -0.02 1.25 -0.57 0.00 0.00 179.45 180.16 1q3g h LEU 56 N 0.13 -0.05 -0.37 2.94 6.46 -0.61 -0.71 115.31 123.10 1q3g h LEU 56 Ca 0.06 -0.07 0.05 0.00 -0.12 0.00 0.00 57.88 57.80 1q3g h LEU 56 Cb 0.03 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 39.93 1q3g h LEU 56 CO -0.06 0.04 0.12 -0.07 -0.62 0.00 0.00 178.44 177.85 1q3g h LEU 57 N -0.13 0.12 -0.87 2.25 3.38 -0.66 -1.54 115.31 117.85 1q3g h LEU 57 Ca -0.01 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1q3g h LEU 57 Cb 0.12 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 1q3g h LEU 57 CO 0.01 0.10 0.56 0.74 0.09 0.00 0.00 178.44 179.94 1q3g h THR 58 N 0.27 1.12 0.00 0.22 2.02 -0.81 -0.56 112.91 115.18 1q3g h THR 58 Ca 0.17 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 1q3g h THR 58 Cb 0.16 -0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.52 1q3g h THR 58 CO -0.19 0.20 -0.03 -0.61 0.37 0.00 0.00 175.52 175.26 1q3g h GLN 59 N 1.08 0.00 -0.00 6.66 4.15 -0.17 -0.29 115.11 126.54 1q3g h GLN 59 Ca 0.36 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.78 1q3g h GLN 59 Cb 0.04 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.73 1q3g h GLN 59 CO -0.13 0.03 -0.12 1.28 -1.93 0.00 0.00 178.83 177.96 1q3g n LEU 60 N -3.21 0.58 0.00 -2.39 4.77 -0.28 -4.75 117.00 111.72 1q3g n LEU 60 Ca -0.01 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1q3g n LEU 60 Cb 0.20 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1q3g n LEU 60 CO 0.25 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1q3g n GLY 61 N 1.28 1.67 3.92 -0.72 0.00 -0.12 -1.68 105.19 109.53 1q3g n GLY 61 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1q3g n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q3g s THR 62 N -2.00 5.39 -0.37 2.61 2.01 -0.84 -3.80 115.64 118.64 1q3g s THR 62 Ca 0.00 -0.34 -0.15 0.00 0.31 0.00 0.00 61.69 61.51 1q3g s THR 62 Cb 0.00 -3.62 -0.00 0.00 0.01 0.00 0.00 72.50 68.89 1q3g s THR 62 CO 0.00 0.17 0.33 -0.54 -0.69 0.00 0.00 174.62 173.88 1q3g s LYS 63 N -2.43 3.35 0.02 4.92 1.02 -0.67 -4.16 119.74 121.79 1q3g s LYS 63 Ca 0.34 -0.66 0.05 0.00 0.02 0.00 0.00 55.97 55.72 1q3g s LYS 63 Cb -0.13 -3.87 -0.02 0.00 -0.52 0.00 0.00 37.83 33.30 1q3g s LYS 63 CO 0.27 -0.60 -0.17 0.08 -0.92 0.00 0.00 175.35 174.01 1q3g s VAL 64 N 1.88 1.32 -0.10 3.17 1.01 -1.26 -1.19 120.40 125.23 1q3g s VAL 64 Ca 0.09 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.87 1q3g s VAL 64 Cb -0.17 -1.14 0.07 0.00 0.00 0.00 0.00 36.38 35.14 1q3g s VAL 64 CO 0.11 0.22 0.69 -1.83 0.00 0.00 0.00 175.10 174.29 1q3g s GLU 65 N -0.79 1.01 0.35 2.72 -1.05 -0.91 -5.01 118.70 115.01 1q3g s GLU 65 Ca 0.05 0.43 0.03 0.00 -0.15 0.00 0.00 54.97 55.33 1q3g s GLU 65 Cb -0.07 0.48 -0.01 0.00 -0.44 0.00 0.00 34.13 34.08 1q3g s GLU 65 CO 0.01 -0.28 0.39 2.89 0.95 0.00 0.00 175.26 179.22 1q3g n ARG 66 N 1.31 0.57 0.00 -4.83 1.85 -1.26 0.56 116.66 114.86 1q3g n ARG 66 Ca -0.18 -3.15 0.00 0.00 -1.00 0.00 0.00 57.85 53.52 1q3g n ARG 66 Cb 0.57 2.79 0.00 0.00 -1.05 0.00 0.00 32.46 34.76 1q3g n ARG 66 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1q3g n ASP 67 N -1.63 0.00 0.08 2.89 5.68 -1.26 -5.00 116.55 117.31 1q3g n ASP 67 Ca 0.04 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.45 1q3g n ASP 67 Cb 0.61 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.61 1q3g n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1q3g n GLY 68 N 4.63 -1.41 3.79 6.12 0.00 -1.26 -5.09 105.19 111.98 1q3g n GLY 68 Ca 0.00 -0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 1q3g n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q3g s SER 69 N -5.02 4.66 -0.13 1.61 0.01 -1.26 -1.50 113.70 112.07 1q3g s SER 69 Ca 0.00 -0.95 0.01 0.00 1.31 0.00 0.00 55.95 56.32 1q3g s SER 69 Cb 0.11 -0.52 0.02 0.00 0.21 0.00 0.00 66.02 65.83 1q3g s SER 69 CO 0.79 -0.57 -0.14 -0.69 0.41 0.00 0.00 173.24 173.03 1q3g s VAL 70 N -2.55 1.53 -0.21 3.43 1.01 0.33 -4.38 120.40 119.56 1q3g s VAL 70 Ca 0.43 -0.62 -0.13 0.00 0.00 0.00 0.00 61.98 61.66 1q3g s VAL 70 Cb 0.01 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 1q3g s VAL 70 CO 0.24 0.45 0.26 0.26 0.00 0.00 0.00 175.10 176.32 1q3g s TRP 71 N 1.34 3.37 -0.04 5.22 0.51 0.19 -0.93 118.94 128.60 1q3g s TRP 71 Ca 0.01 0.44 0.06 0.00 -2.12 0.00 0.00 56.10 54.49 1q3g s TRP 71 Cb -0.13 -2.36 -0.01 0.00 -0.81 0.00 0.00 33.47 30.15 1q3g s TRP 71 CO -0.08 0.09 -0.24 0.42 -0.51 0.00 0.00 176.95 176.64 1q3g s ILE 72 N 0.98 1.92 -0.35 2.03 -1.09 0.34 -2.15 121.20 122.88 1q3g s ILE 72 Ca 0.13 -1.01 -0.00 0.00 -2.23 0.00 0.00 60.65 57.54 1q3g s ILE 72 Cb -0.14 -1.61 0.12 0.00 -1.58 0.00 0.00 42.46 39.25 1q3g s ILE 72 CO 0.05 0.54 0.17 -0.62 -1.23 0.00 0.00 174.94 173.84 1q3g s ASP 73 N -0.30 3.61 -0.70 3.58 3.68 -0.33 -0.84 116.67 125.37 1q3g s ASP 73 Ca 0.02 -1.99 -0.00 0.00 2.13 0.00 0.00 52.55 52.70 1q3g s ASP 73 Cb -0.12 -0.73 0.40 0.00 -1.45 0.00 0.00 42.92 41.02 1q3g s ASP 73 CO 0.02 -0.35 1.86 0.00 0.13 0.00 0.00 175.17 176.82 1q3g n ALA 74 N 4.36 6.18 0.08 3.66 0.00 -1.26 -1.67 120.51 131.87 1q3g n ALA 74 Ca 0.04 -3.92 0.01 0.00 0.00 0.00 0.00 53.44 49.57 1q3g n ALA 74 Cb 0.39 -1.62 -0.03 0.00 0.00 0.00 0.00 19.45 18.18 1q3g n ALA 74 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1q3g h SER 75 N 2.58 0.00 -0.48 0.00 0.02 -1.76 -3.38 113.55 110.53 1q3g h SER 75 Ca 0.53 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 61.15 1q3g h SER 75 Cb 0.49 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 62.79 1q3g h SER 75 CO 1.37 0.53 -0.51 0.59 -1.14 0.00 0.00 176.83 177.66 1q3g n ASN 76 N -3.03 3.76 -4.67 3.07 4.13 -1.26 -5.03 115.26 112.22 1q3g n ASN 76 Ca -0.04 -3.81 -0.44 0.00 1.68 0.00 0.00 54.58 51.97 1q3g n ASN 76 Cb 0.78 -0.48 -0.03 0.00 -1.54 0.00 0.00 39.78 38.51 1q3g n ASN 76 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1q3g n VAL 77 N -0.91 0.63 0.00 2.41 0.31 -1.25 -4.75 118.33 114.77 1q3g n VAL 77 Ca 0.36 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.58 1q3g n VAL 77 Cb 0.87 -2.16 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 1q3g n VAL 77 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1q3g n ASN 78 N 6.84 2.78 -4.60 4.52 6.94 -0.81 -5.01 115.26 125.91 1q3g n ASN 78 Ca 0.20 -0.18 -0.31 0.00 -0.02 0.00 0.00 54.58 54.27 1q3g n ASN 78 Cb 0.37 0.92 -0.10 0.00 -2.36 0.00 0.00 39.78 38.61 1q3g n ASN 78 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1q3g s ASN 79 N -1.47 4.61 -0.16 0.53 2.47 -0.67 -5.04 114.94 115.21 1q3g s ASN 79 Ca 0.00 -0.20 0.17 0.00 0.42 0.00 0.00 52.86 53.24 1q3g s ASN 79 Cb 0.00 -1.03 0.44 0.00 -1.45 0.00 0.00 41.25 39.21 1q3g s ASN 79 CO 0.00 0.25 1.19 0.49 -3.72 0.00 0.00 177.10 175.30 1q3g n PHE 80 N 1.24 0.61 -4.10 0.43 3.72 -1.26 -4.71 117.46 113.40 1q3g n PHE 80 Ca -0.14 -1.38 -0.14 0.00 -0.05 0.00 0.00 57.45 55.73 1q3g n PHE 80 Cb 0.52 -0.23 -0.11 0.00 -0.94 0.00 0.00 39.48 38.72 1q3g n PHE 80 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1q3g s SER 81 N -2.98 1.06 -0.23 4.37 1.04 -1.26 -0.95 113.70 114.75 1q3g s SER 81 Ca 0.37 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 56.20 1q3g s SER 81 Cb 0.38 0.02 0.03 0.00 0.10 0.00 0.00 66.02 66.55 1q3g s SER 81 CO -0.08 -0.20 -0.11 0.00 0.98 0.00 0.00 173.24 173.83 1q3g s ALA 82 N -1.57 2.57 0.59 5.32 0.00 -0.52 -4.84 121.76 123.32 1q3g s ALA 82 Ca -0.06 -1.46 -0.14 0.00 0.00 0.00 0.00 51.96 50.29 1q3g s ALA 82 Cb -0.09 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.47 1q3g s ALA 82 CO 0.00 -0.77 1.03 -1.25 0.00 0.00 0.00 175.76 174.78 1q3g s PRO 83 N 1.26 3.49 0.08 0.00 0.04 -1.26 -2.58 135.00 136.04 1q3g s PRO 83 Ca -0.01 1.01 -0.26 0.00 0.04 0.00 0.00 61.00 61.78 1q3g s PRO 83 Cb -0.16 -2.06 -0.10 0.00 0.04 0.00 0.00 34.50 32.21 1q3g s PRO 83 CO -0.07 -0.66 1.42 -0.92 0.04 0.00 0.00 177.00 176.81 1q3g h TYR 84 N 0.25 -1.20 0.00 0.56 3.20 -1.96 0.65 116.97 118.47 1q3g h TYR 84 Ca -0.46 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.45 1q3g h TYR 84 Cb 1.20 0.52 0.00 0.00 1.54 0.00 0.00 36.73 39.99 1q3g h TYR 84 CO 0.62 -0.43 0.28 -0.40 -1.64 0.00 0.00 178.16 176.59 1q3g n ASP 85 N -4.73 0.00 -0.10 -2.11 5.75 -1.26 -0.52 116.55 113.57 1q3g n ASP 85 Ca -0.06 0.20 -0.21 0.00 -0.01 0.00 0.00 54.79 54.72 1q3g n ASP 85 Cb 0.30 -0.20 -0.07 0.00 -1.03 0.00 0.00 41.12 40.12 1q3g n ASP 85 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1q3g n LEU 86 N -1.19 1.65 0.26 -2.12 0.00 0.12 -4.53 117.00 111.19 1q3g n LEU 86 Ca 0.00 0.28 0.17 0.00 0.00 0.00 0.00 56.01 56.46 1q3g n LEU 86 Cb 0.28 -0.67 0.65 0.00 0.00 0.00 0.00 43.42 43.68 1q3g n LEU 86 CO 0.00 0.29 0.97 -0.37 0.00 0.00 0.00 177.39 178.28 1q3g h VAL 87 N -0.82 0.00 0.00 1.96 -1.51 -0.19 -2.07 116.25 113.63 1q3g h VAL 87 Ca -0.45 -0.50 0.00 0.00 -1.23 0.00 0.00 66.70 64.52 1q3g h VAL 87 Cb 1.36 1.47 0.00 0.00 -2.13 0.00 0.00 31.29 31.98 1q3g h VAL 87 CO -0.27 0.00 0.00 2.29 -1.23 0.00 0.00 177.57 178.36 1q3g n LYS 88 N -2.99 0.14 -0.00 5.19 2.85 0.32 -1.66 118.16 122.01 1q3g n LYS 88 Ca 0.01 0.41 0.09 0.00 -1.05 0.00 0.00 58.31 57.76 1q3g n LYS 88 Cb 0.31 -1.79 -0.11 0.00 -0.65 0.00 0.00 35.03 32.79 1q3g n LYS 88 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1q3g n THR 89 N -2.06 0.00 -3.15 0.58 -2.24 -0.78 -4.86 114.28 101.77 1q3g n THR 89 Ca 0.02 -0.10 0.04 0.00 -2.27 0.00 0.00 64.05 61.74 1q3g n THR 89 Cb 0.19 0.90 -0.00 0.00 -2.10 0.00 0.00 70.33 69.32 1q3g n THR 89 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1q3g s MET 90 N -2.80 0.48 0.57 -0.78 -2.45 -0.66 -5.03 119.30 108.62 1q3g s MET 90 Ca 0.05 0.45 0.31 0.00 -1.25 0.00 0.00 55.69 55.26 1q3g s MET 90 Cb 0.14 0.21 1.73 0.00 1.25 0.00 0.00 34.83 38.15 1q3g s MET 90 CO 0.76 -0.89 2.17 0.07 1.05 0.00 0.00 175.02 178.18 1q3g h ARG 91 N 7.82 0.00 0.00 4.11 0.11 -1.87 -2.20 114.38 122.35 1q3g h ARG 91 Ca -0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.05 1q3g h ARG 91 Cb 1.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.27 1q3g h ARG 91 CO 0.10 0.06 0.07 0.00 0.10 0.00 0.00 179.97 180.29 1q3g n ALA 92 N -2.25 0.89 0.76 0.08 0.00 -1.26 -0.90 120.51 117.83 1q3g n ALA 92 Ca -0.02 0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.55 1q3g n ALA 92 Cb 0.17 -0.97 0.39 0.00 0.00 0.00 0.00 19.45 19.03 1q3g n ALA 92 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1q3g n SER 93 N -1.69 0.00 0.24 0.00 3.41 -0.83 -1.66 113.62 113.10 1q3g n SER 93 Ca -0.00 -0.09 0.11 0.00 -0.26 0.00 0.00 58.87 58.62 1q3g n SER 93 Cb 0.08 -0.20 0.61 0.00 -0.26 0.00 0.00 64.21 64.44 1q3g n SER 93 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1q3g h ILE 94 N 0.00 0.65 0.00 -1.33 6.09 -1.29 -2.57 117.51 119.07 1q3g h ILE 94 Ca 0.00 -0.79 0.00 0.00 -1.37 0.00 0.00 64.86 62.70 1q3g h ILE 94 Cb 0.09 1.50 0.00 0.00 0.47 0.00 0.00 36.82 38.89 1q3g h ILE 94 CO 0.00 0.18 0.00 0.79 -3.07 0.00 0.00 178.15 176.05 1q3g n TRP 95 N -3.62 0.00 0.05 2.19 8.01 -0.66 -2.24 117.44 121.16 1q3g n TRP 95 Ca -0.01 0.00 -0.06 0.00 -1.31 0.00 0.00 57.50 56.11 1q3g n TRP 95 Cb 0.31 -0.18 -0.11 0.00 -2.01 0.00 0.00 31.31 29.31 1q3g n TRP 95 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1q3g h ALA 96 N 2.54 0.48 -0.06 6.99 0.00 -1.69 -3.36 119.26 124.16 1q3g h ALA 96 Ca 0.00 -1.01 0.04 0.00 0.00 0.00 0.00 54.91 53.94 1q3g h ALA 96 Cb 0.06 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1q3g h ALA 96 CO 0.00 1.28 -0.21 1.25 0.00 0.00 0.00 179.25 181.57 1q3g h LEU 97 N 0.00 -0.62 0.23 0.00 5.85 -1.65 -2.12 115.31 117.00 1q3g h LEU 97 Ca -0.08 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1q3g h LEU 97 Cb 1.79 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 43.06 1q3g h LEU 97 CO 0.11 -0.27 -0.46 1.23 -0.34 0.00 0.00 178.44 178.71 1q3g h GLY 98 N -0.30 -1.19 0.79 3.75 0.00 -1.76 -1.91 103.07 102.45 1q3g h GLY 98 Ca 0.08 0.61 0.04 0.00 0.00 0.00 0.00 47.33 48.06 1q3g h GLY 98 CO -0.23 -0.32 0.35 -2.55 0.00 0.00 0.00 176.54 173.79 1q3g h PRO 99 N -0.75 0.66 -0.24 4.80 0.11 -1.73 -1.49 132.00 133.35 1q3g h PRO 99 Ca -0.02 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 66.09 1q3g h PRO 99 Cb 0.71 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.63 1q3g h PRO 99 CO -0.18 0.44 -0.00 -0.07 -0.21 0.00 0.00 178.00 177.98 1q3g h LEU 100 N 0.68 -0.10 -0.73 2.35 3.38 -1.23 -0.09 115.31 119.57 1q3g h LEU 100 Ca 0.26 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.20 1q3g h LEU 100 Cb 0.09 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1q3g h LEU 100 CO -0.14 -0.02 -0.39 1.62 0.09 0.00 0.00 178.44 179.61 1q3g h VAL 101 N 0.07 0.83 0.02 1.22 3.04 -1.13 0.26 116.25 120.56 1q3g h VAL 101 Ca 0.11 -1.64 -0.21 0.00 -1.01 0.00 0.00 66.70 63.95 1q3g h VAL 101 Cb 0.15 2.03 -0.01 0.00 -2.01 0.00 0.00 31.29 31.45 1q3g h VAL 101 CO -0.19 0.38 -0.94 0.00 -1.01 0.00 0.00 177.57 175.81 1q3g h ALA 102 N 1.61 0.44 0.01 3.17 0.00 -0.79 -2.34 119.26 121.36 1q3g h ALA 102 Ca -0.00 -0.75 -0.38 0.00 0.00 0.00 0.00 54.91 53.78 1q3g h ALA 102 Cb 1.00 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 1q3g h ALA 102 CO 0.05 0.92 -2.38 -2.13 0.00 0.00 0.00 179.25 175.71 1q3g n ARG 103 N -3.64 0.67 -0.10 0.00 0.63 -0.09 -4.60 116.66 109.53 1q3g n ARG 103 Ca -0.04 0.13 0.06 0.00 -0.92 0.00 0.00 57.85 57.07 1q3g n ARG 103 Cb 0.84 -1.55 0.10 0.00 0.45 0.00 0.00 32.46 32.31 1q3g n ARG 103 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1q3g n PHE 104 N -3.14 0.26 -0.89 -0.14 3.01 0.89 -4.98 117.46 112.46 1q3g n PHE 104 Ca -0.40 -0.28 0.00 0.00 1.01 0.00 0.00 57.45 57.78 1q3g n PHE 104 Cb 1.04 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.50 1q3g n PHE 104 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1q3g n GLY 105 N 0.56 0.40 3.54 1.37 0.00 -0.88 -4.94 105.19 105.24 1q3g n GLY 105 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 1q3g n GLY 105 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1q3g s GLN 106 N -0.69 1.42 0.00 1.61 -2.07 -1.24 -1.47 119.66 117.21 1q3g s GLN 106 Ca 0.00 -0.68 0.00 0.00 -1.82 0.00 0.00 55.36 52.86 1q3g s GLN 106 Cb 0.00 0.58 0.00 0.00 -1.09 0.00 0.00 33.01 32.50 1q3g s GLN 106 CO 0.00 -0.62 0.00 0.41 -1.32 0.00 0.00 175.29 173.76 1q3g n GLY 107 N -0.39 1.79 2.83 2.60 0.00 -0.63 -2.69 105.19 108.70 1q3g n GLY 107 Ca -0.12 -0.25 -0.14 0.00 0.00 0.00 0.00 46.02 45.50 1q3g n GLY 107 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1q3g s GLN 108 N -1.71 0.00 -0.01 1.61 -2.07 -0.13 -0.62 119.66 116.74 1q3g s GLN 108 Ca 0.00 0.22 0.02 0.00 -1.82 0.00 0.00 55.36 53.78 1q3g s GLN 108 Cb 0.00 -0.19 -0.01 0.00 -1.09 0.00 0.00 33.01 31.72 1q3g s GLN 108 CO 0.00 -0.15 -0.08 0.08 -1.32 0.00 0.00 175.29 173.82 1q3g s VAL 109 N 0.96 0.65 0.15 3.63 1.01 -0.88 -1.44 120.40 124.49 1q3g s VAL 109 Ca -0.08 -0.35 -0.31 0.00 0.00 0.00 0.00 61.98 61.24 1q3g s VAL 109 Cb -0.11 -0.55 -0.10 0.00 0.00 0.00 0.00 36.38 35.62 1q3g s VAL 109 CO -0.03 0.19 1.55 -0.55 0.00 0.00 0.00 175.10 176.26 1q3g s SER 110 N -0.15 6.62 -0.16 3.32 0.15 -1.07 0.20 113.70 122.61 1q3g s SER 110 Ca 0.03 2.57 -0.29 0.00 0.70 0.00 0.00 55.95 58.96 1q3g s SER 110 Cb -0.04 -2.59 -0.05 0.00 -1.71 0.00 0.00 66.02 61.63 1q3g s SER 110 CO -0.00 -0.81 1.95 -0.22 1.20 0.00 0.00 173.24 175.36 1q3g s LEU 111 N 1.24 3.85 0.42 3.45 0.20 0.79 -4.81 118.68 123.82 1q3g s LEU 111 Ca 0.70 1.99 -0.26 0.00 0.69 0.00 0.00 54.13 57.24 1q3g s LEU 111 Cb -0.43 -3.52 -0.09 0.00 -0.43 0.00 0.00 46.19 41.72 1q3g s LEU 111 CO 0.31 -1.50 1.37 -2.16 -0.29 0.00 0.00 176.35 174.09 1q3g s PRO 112 N 5.31 3.85 0.00 0.98 0.04 -1.26 -4.97 135.00 138.94 1q3g s PRO 112 Ca 0.87 2.30 0.00 0.00 0.04 0.00 0.00 61.00 64.21 1q3g s PRO 112 Cb -0.33 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.49 1q3g s PRO 112 CO 0.35 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 177.16 1q3g n GLY 113 N 0.62 0.08 3.79 0.56 0.00 -1.26 -4.99 105.19 103.98 1q3g n GLY 113 Ca 0.04 -1.70 -0.31 0.00 0.00 0.00 0.00 46.02 44.05 1q3g n GLY 113 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1q3g s GLY 114 N -0.83 1.71 0.37 -0.02 0.00 -1.26 -4.89 107.32 102.39 1q3g s GLY 114 Ca 0.00 0.21 0.08 0.00 0.00 0.00 0.00 44.72 45.01 1q3g s GLY 114 CO 0.00 0.54 0.02 0.00 0.00 0.00 0.00 173.10 173.66 1q3g h ALA 116 N 1.78 0.41 -0.00 0.00 0.00 -1.95 -3.10 119.26 116.40 1q3g h ALA 116 Ca -0.43 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1q3g h ALA 116 Cb 1.25 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1q3g h ALA 116 CO 0.72 -0.03 -0.03 0.44 0.00 0.00 0.00 179.25 180.36 1q3g n ILE 117 N -4.76 0.00 0.00 0.00 -5.35 -1.26 -4.78 119.36 103.21 1q3g n ILE 117 Ca -0.01 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 1q3g n ILE 117 Cb 0.11 -0.35 0.00 0.00 -1.74 0.00 0.00 39.64 37.65 1q3g n ILE 117 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1q3g n GLY 118 N 1.18 1.89 0.21 3.28 0.00 -1.17 -0.75 105.19 109.83 1q3g n GLY 118 Ca 0.18 -0.87 0.04 0.00 0.00 0.00 0.00 46.02 45.37 1q3g n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q3g h ALA 119 N 0.00 1.60 -6.55 4.61 0.00 -1.93 -1.82 119.26 115.16 1q3g h ALA 119 Ca 0.00 -0.22 -0.48 0.00 0.00 0.00 0.00 54.91 54.22 1q3g h ALA 119 Cb 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 17.77 1q3g h ALA 119 CO 0.00 0.30 -0.94 0.54 0.00 0.00 0.00 179.25 179.15 1q3g n ARG 120 N -4.26 -0.93 -0.84 0.00 1.74 -1.26 -4.28 116.66 106.84 1q3g n ARG 120 Ca -0.02 0.45 -0.30 0.00 -0.77 0.00 0.00 57.85 57.21 1q3g n ARG 120 Cb 0.29 -3.21 0.17 0.00 -1.02 0.00 0.00 32.46 28.69 1q3g n ARG 120 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1q3g s PRO 121 N -6.09 0.67 -0.12 5.56 0.04 -1.26 -4.96 135.00 128.84 1q3g s PRO 121 Ca 0.34 1.13 0.16 0.00 0.04 0.00 0.00 61.00 62.68 1q3g s PRO 121 Cb -0.16 -1.72 0.27 0.00 0.04 0.00 0.00 34.50 32.94 1q3g s PRO 121 CO 0.90 -2.73 1.14 1.55 0.04 0.00 0.00 177.00 177.90 1q3g n VAL 122 N -4.26 1.66 -0.27 -0.36 3.14 -1.26 -4.83 118.33 112.15 1q3g n VAL 122 Ca 0.08 -2.08 0.06 0.00 -2.96 0.00 0.00 64.34 59.44 1q3g n VAL 122 Cb 0.54 -0.13 0.20 0.00 -1.06 0.00 0.00 33.84 33.39 1q3g n VAL 122 CO 0.00 0.00 0.00 -2.24 -6.46 0.00 0.00 176.83 168.13 1q3g h ASP 123 N 0.14 0.31 0.04 6.55 2.03 -2.00 -1.48 116.42 122.00 1q3g h ASP 123 Ca -0.00 0.11 -0.04 0.00 -0.73 0.00 0.00 57.03 56.37 1q3g h ASP 123 Cb 1.07 0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 39.64 1q3g h ASP 123 CO 0.00 0.10 -0.11 -0.07 -1.03 0.00 0.00 179.24 178.14 1q3g h LEU 124 N 0.46 0.16 0.28 0.15 3.38 -1.98 0.19 115.31 117.94 1q3g h LEU 124 Ca 0.44 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.37 1q3g h LEU 124 Cb 0.68 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1q3g h LEU 124 CO -0.42 0.29 -0.14 0.45 0.09 0.00 0.00 178.44 178.72 1q3g h HIS 125 N 0.16 -0.35 -0.36 1.13 3.86 -1.60 -0.40 115.15 117.59 1q3g h HIS 125 Ca 0.04 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1q3g h HIS 125 Cb 0.31 0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.87 1q3g h HIS 125 CO 0.00 -0.13 0.21 0.82 0.86 0.00 0.00 177.93 179.69 1q3g h ILE 126 N -0.51 1.13 -0.56 2.45 2.04 -1.29 -1.77 117.51 118.99 1q3g h ILE 126 Ca -0.04 -0.31 0.08 0.00 1.00 0.00 0.00 64.86 65.60 1q3g h ILE 126 Cb 0.38 0.68 -0.07 0.00 -0.74 0.00 0.00 36.82 37.07 1q3g h ILE 126 CO 0.06 0.13 0.21 0.15 0.00 0.00 0.00 178.15 178.70 1q3g h PHE 127 N 0.47 0.36 -0.14 1.37 3.57 -0.56 0.33 116.94 122.34 1q3g h PHE 127 Ca 0.13 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 1q3g h PHE 127 Cb 0.02 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1q3g h PHE 127 CO -0.03 0.10 0.07 0.78 -2.23 0.00 0.00 178.31 177.00 1q3g h GLY 128 N 0.39 0.21 1.03 2.40 0.00 -0.71 -1.14 103.07 105.26 1q3g h GLY 128 Ca 0.28 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.48 1q3g h GLY 128 CO -0.28 0.10 0.44 1.41 0.00 0.00 0.00 176.54 178.20 1q3g h LEU 129 N 0.12 1.10 -0.97 3.11 3.38 -0.85 -2.09 115.31 119.09 1q3g h LEU 129 Ca 0.05 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1q3g h LEU 129 Cb 0.09 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 1q3g h LEU 129 CO -0.01 0.90 0.42 -0.33 0.09 0.00 0.00 178.44 179.52 1q3g h GLU 130 N 1.21 1.15 0.00 1.13 5.08 -0.72 -0.74 114.58 121.69 1q3g h GLU 130 Ca 0.30 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1q3g h GLU 130 Cb 0.07 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 1q3g h GLU 130 CO -0.04 0.86 -0.09 0.87 -1.00 0.00 0.00 179.01 179.60 1q3g h LYS 131 N 1.15 0.00 -0.06 2.33 1.79 -0.56 -0.80 116.57 120.43 1q3g h LYS 131 Ca 0.29 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.76 1q3g h LYS 131 Cb 0.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 1q3g h LYS 131 CO -0.04 0.09 0.00 1.28 -1.08 0.00 0.00 179.45 179.70 1q3g n LEU 132 N -3.45 1.37 0.00 2.94 4.77 -0.38 -4.70 117.00 117.55 1q3g n LEU 132 Ca -0.01 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 1q3g n LEU 132 Cb 0.25 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1q3g n LEU 132 CO 0.29 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1q3g n GLY 133 N 1.13 0.63 3.78 -0.72 0.00 -0.30 0.02 105.19 109.73 1q3g n GLY 133 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1q3g n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q3g s ALA 134 N -2.00 2.92 -0.23 4.61 0.00 -0.62 -4.82 121.76 121.61 1q3g s ALA 134 Ca 0.00 0.80 -0.07 0.00 0.00 0.00 0.00 51.96 52.69 1q3g s ALA 134 Cb 0.00 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 1q3g s ALA 134 CO 0.00 -0.53 0.06 -2.00 0.00 0.00 0.00 175.76 173.30 1q3g s GLU 135 N -2.88 3.71 -0.14 0.00 2.12 0.68 -4.13 118.70 118.07 1q3g s GLU 135 Ca 0.65 -0.46 0.00 0.00 0.36 0.00 0.00 54.97 55.53 1q3g s GLU 135 Cb -0.24 -3.28 -0.01 0.00 0.26 0.00 0.00 34.13 30.86 1q3g s GLU 135 CO 0.29 -0.08 -0.14 0.42 -0.54 0.00 0.00 175.26 175.20 1q3g s ILE 136 N 1.33 2.90 0.15 -3.70 -1.09 -1.26 -1.75 121.20 117.78 1q3g s ILE 136 Ca 0.05 -0.71 0.08 0.00 -2.23 0.00 0.00 60.65 57.84 1q3g s ILE 136 Cb -0.15 -2.21 -0.04 0.00 -1.58 0.00 0.00 42.46 38.48 1q3g s ILE 136 CO 0.03 0.52 -0.19 -0.54 -1.23 0.00 0.00 174.94 173.54 1q3g s LYS 137 N 0.49 1.23 -0.26 2.79 1.02 0.46 -4.97 119.74 120.49 1q3g s LYS 137 Ca -0.10 -1.34 0.02 0.00 0.02 0.00 0.00 55.97 54.58 1q3g s LYS 137 Cb -0.16 -1.34 0.06 0.00 -0.52 0.00 0.00 37.83 35.88 1q3g s LYS 137 CO 0.04 0.28 -0.08 -1.17 -0.92 0.00 0.00 175.35 173.51 1q3g s LEU 138 N -2.46 3.29 -0.01 3.17 2.96 -1.26 0.41 118.68 124.78 1q3g s LEU 138 Ca 0.13 -1.40 0.01 0.00 -0.22 0.00 0.00 54.13 52.65 1q3g s LEU 138 Cb -0.07 -1.44 0.01 0.00 0.50 0.00 0.00 46.19 45.19 1q3g s LEU 138 CO 0.06 -0.22 -0.02 -1.83 -1.32 0.00 0.00 176.35 173.02 1q3g s GLU 139 N 1.17 0.22 -1.47 1.98 -1.05 -0.75 -4.83 118.70 113.98 1q3g s GLU 139 Ca -0.06 -0.03 -0.07 0.00 -0.15 0.00 0.00 54.97 54.66 1q3g s GLU 139 Cb -0.20 -0.28 0.03 0.00 -0.44 0.00 0.00 34.13 33.25 1q3g s GLU 139 CO -0.06 -0.01 0.65 -0.85 0.95 0.00 0.00 175.26 175.95 1q3g n GLU 140 N 3.38 -4.81 -0.94 -4.83 0.28 -1.26 -1.57 120.64 110.89 1q3g n GLU 140 Ca -0.17 0.77 0.00 0.00 -0.16 0.00 0.00 57.16 57.59 1q3g n GLU 140 Cb 0.56 -5.61 0.00 0.00 1.43 0.00 0.00 31.44 27.82 1q3g n GLU 140 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1q3g n GLY 141 N -1.48 0.52 3.47 -1.84 0.00 -1.26 -5.01 105.19 99.59 1q3g n GLY 141 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 1q3g n GLY 141 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1q3g s TYR 142 N -2.37 2.94 -0.53 1.61 1.51 -0.61 -0.15 117.35 119.76 1q3g s TYR 142 Ca 0.00 -0.34 -0.25 0.00 -1.01 0.00 0.00 57.07 55.47 1q3g s TYR 142 Cb 0.00 -1.88 0.03 0.00 -0.11 0.00 0.00 41.96 40.01 1q3g s TYR 142 CO 0.00 -0.02 0.98 0.54 -1.11 0.00 0.00 175.55 175.94 1q3g s VAL 143 N 0.14 4.35 -0.24 0.71 0.11 0.13 -1.82 120.40 123.78 1q3g s VAL 143 Ca -0.03 0.56 -0.10 0.00 -2.93 0.00 0.00 61.98 59.48 1q3g s VAL 143 Cb -0.14 -4.54 -0.04 0.00 -1.53 0.00 0.00 36.38 30.12 1q3g s VAL 143 CO 0.03 -1.06 0.13 -0.54 -3.33 0.00 0.00 175.10 170.34 1q3g s LYS 144 N 4.07 3.95 0.07 1.54 1.02 0.17 -2.06 119.74 128.50 1q3g s LYS 144 Ca 0.35 -0.33 0.10 0.00 0.02 0.00 0.00 55.97 56.11 1q3g s LYS 144 Cb -0.11 -3.47 -0.03 0.00 -0.52 0.00 0.00 37.83 33.70 1q3g s LYS 144 CO 0.23 -0.00 -0.27 0.00 -0.92 0.00 0.00 175.35 174.39 1q3g s ALA 145 N 1.20 2.29 0.14 5.17 0.00 0.21 -0.40 121.76 130.37 1q3g s ALA 145 Ca 0.06 -1.33 -0.18 0.00 0.00 0.00 0.00 51.96 50.52 1q3g s ALA 145 Cb -0.14 -0.44 0.04 0.00 0.00 0.00 0.00 23.12 22.58 1q3g s ALA 145 CO 0.05 0.53 0.45 -1.54 0.00 0.00 0.00 175.76 175.26 1q3g s SER 146 N -1.49 -0.31 -0.24 0.00 1.04 -0.71 -1.61 113.70 110.37 1q3g s SER 146 Ca 0.12 -0.25 -0.18 0.00 0.48 0.00 0.00 55.95 56.12 1q3g s SER 146 Cb -0.10 0.51 0.07 0.00 0.10 0.00 0.00 66.02 66.60 1q3g s SER 146 CO 0.03 -0.89 0.62 0.54 0.98 0.00 0.00 173.24 174.53 1q3g s VAL 147 N -3.80 -0.00 -0.71 5.02 0.11 -0.54 -0.23 120.40 120.24 1q3g s VAL 147 Ca 0.03 0.01 -0.24 0.00 -2.93 0.00 0.00 61.98 58.85 1q3g s VAL 147 Cb 0.01 -0.89 0.06 0.00 -1.53 0.00 0.00 36.38 34.03 1q3g s VAL 147 CO -0.12 0.01 1.11 0.20 -3.33 0.00 0.00 175.10 172.96 1q3g s ASN 148 N 1.02 6.20 0.00 3.54 0.01 -1.26 -4.69 114.94 119.76 1q3g s ASN 148 Ca -0.05 -0.85 0.00 0.00 -0.71 0.00 0.00 52.86 51.24 1q3g s ASN 148 Cb -0.05 -2.48 0.00 0.00 0.41 0.00 0.00 41.25 39.13 1q3g s ASN 148 CO -0.10 -1.58 0.00 0.61 -1.51 0.00 0.00 177.10 174.53 1q3g n GLY 149 N 5.41 -0.34 3.90 0.66 0.00 -1.26 -4.96 105.19 108.60 1q3g n GLY 149 Ca 0.01 -1.68 -0.28 0.00 0.00 0.00 0.00 46.02 44.07 1q3g n GLY 149 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1q3g s ARG 150 N 0.00 3.61 0.77 1.61 0.52 -1.26 -4.75 118.95 119.44 1q3g s ARG 150 Ca 0.00 0.22 -0.11 0.00 -0.52 0.00 0.00 55.73 55.32 1q3g s ARG 150 Cb 0.00 -2.43 0.05 0.00 0.52 0.00 0.00 34.95 33.09 1q3g s ARG 150 CO 0.00 -0.09 1.08 -0.51 0.02 0.00 0.00 175.30 175.80 1q3g s LEU 151 N -4.35 2.83 -0.16 2.53 1.43 -1.26 -4.80 118.68 114.90 1q3g s LEU 151 Ca 0.48 1.51 -0.00 0.00 -1.03 0.00 0.00 54.13 55.09 1q3g s LEU 151 Cb -0.10 -4.22 -0.00 0.00 0.03 0.00 0.00 46.19 41.90 1q3g s LEU 151 CO 0.39 -1.85 -0.14 -0.54 0.23 0.00 0.00 176.35 174.44 1q3g s LYS 152 N -5.06 3.23 0.44 1.70 1.02 0.10 0.61 119.74 121.79 1q3g s LYS 152 Ca 0.60 -0.74 -0.22 0.00 0.02 0.00 0.00 55.97 55.63 1q3g s LYS 152 Cb -0.15 -2.66 -0.12 0.00 -0.52 0.00 0.00 37.83 34.38 1q3g s LYS 152 CO 0.55 0.00 0.60 0.41 -0.92 0.00 0.00 175.35 175.99 1q3g n GLY 153 N 4.11 -1.34 3.35 -3.33 0.00 -0.26 -4.49 105.19 103.24 1q3g n GLY 153 Ca -0.19 0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 1q3g n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q3g s ALA 154 N -1.47 -0.86 -0.44 4.61 0.00 -1.06 -4.77 121.76 117.77 1q3g s ALA 154 Ca 0.64 -0.15 -0.18 0.00 0.00 0.00 0.00 51.96 52.27 1q3g s ALA 154 Cb -0.58 0.73 0.03 0.00 0.00 0.00 0.00 23.12 23.30 1q3g s ALA 154 CO 0.57 -0.67 0.51 -1.58 0.00 0.00 0.00 175.76 174.60 1q3g s HIS 155 N -3.83 3.13 -0.19 0.00 2.46 -1.26 -1.36 115.29 114.24 1q3g s HIS 155 Ca 0.05 -0.36 -0.03 0.00 0.47 0.00 0.00 55.06 55.20 1q3g s HIS 155 Cb 0.01 -3.12 -0.01 0.00 -0.13 0.00 0.00 32.58 29.33 1q3g s HIS 155 CO -0.09 -0.80 -0.07 0.42 -2.47 0.00 0.00 174.74 171.72 1q3g s ILE 156 N 2.35 3.29 -0.28 0.89 1.01 0.36 -4.96 121.20 123.87 1q3g s ILE 156 Ca 0.15 -0.54 -0.08 0.00 0.00 0.00 0.00 60.65 60.17 1q3g s ILE 156 Cb -0.17 -2.46 -0.02 0.00 0.01 0.00 0.00 42.46 39.82 1q3g s ILE 156 CO 0.14 0.46 0.11 -0.69 0.00 0.00 0.00 174.94 174.96 1q3g s VAL 157 N 1.06 4.47 -0.26 2.92 1.01 -1.26 -0.06 120.40 128.28 1q3g s VAL 157 Ca 0.00 -0.27 -0.24 0.00 0.00 0.00 0.00 61.98 61.47 1q3g s VAL 157 Cb -0.15 -3.18 -0.00 0.00 0.00 0.00 0.00 36.38 33.05 1q3g s VAL 157 CO -0.01 0.21 0.82 -0.04 0.00 0.00 0.00 175.10 176.09 1q3g s MET 158 N 1.62 4.13 -0.04 2.72 1.00 -0.77 -4.92 119.30 123.04 1q3g s MET 158 Ca 0.05 0.86 0.04 0.00 0.00 0.00 0.00 55.69 56.65 1q3g s MET 158 Cb -0.16 -3.67 0.18 0.00 0.00 0.00 0.00 34.83 31.19 1q3g s MET 158 CO 0.05 -0.56 0.91 -0.40 0.00 0.00 0.00 175.02 175.02 1q3g n ASP 159 N 6.07 1.72 -3.63 3.03 5.68 -1.26 -4.68 116.55 123.48 1q3g n ASP 159 Ca 0.05 -2.15 -0.13 0.00 -0.50 0.00 0.00 54.79 52.07 1q3g n ASP 159 Cb 0.48 -0.40 -0.07 0.00 -1.14 0.00 0.00 41.12 39.99 1q3g n ASP 159 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1q3g s LYS 160 N -1.54 0.79 -0.26 0.11 2.20 -1.26 -5.12 119.74 114.66 1q3g s LYS 160 Ca 0.13 0.98 -0.29 0.00 -0.36 0.00 0.00 55.97 56.42 1q3g s LYS 160 Cb 0.09 0.36 0.01 0.00 -1.51 0.00 0.00 37.83 36.78 1q3g s LYS 160 CO 0.05 -0.10 1.12 0.08 -0.36 0.00 0.00 175.35 176.14 1q3g s VAL 161 N 0.49 4.49 -0.07 4.02 1.01 -1.26 -5.00 120.40 124.08 1q3g s VAL 161 Ca -0.01 1.76 -0.00 0.00 0.00 0.00 0.00 61.98 63.73 1q3g s VAL 161 Cb -0.05 -4.28 0.02 0.00 0.00 0.00 0.00 36.38 32.08 1q3g s VAL 161 CO -0.02 -0.31 -0.03 -0.55 0.00 0.00 0.00 175.10 174.19 1q3g s SER 162 N 1.68 1.51 0.02 3.32 0.15 -1.26 -5.00 113.70 114.12 1q3g s SER 162 Ca 0.48 -0.15 -0.26 0.00 0.70 0.00 0.00 55.95 56.72 1q3g s SER 162 Cb -0.15 -0.53 -0.17 0.00 -1.71 0.00 0.00 66.02 63.45 1q3g s SER 162 CO 0.13 -0.13 1.37 0.58 1.20 0.00 0.00 173.24 176.39 1q3g h VAL 163 N 6.23 0.80 0.04 4.45 2.07 -1.95 -1.65 116.25 126.24 1q3g h VAL 163 Ca -0.28 -0.50 0.02 0.00 0.82 0.00 0.00 66.70 66.76 1q3g h VAL 163 Cb 1.14 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 1q3g h VAL 163 CO 0.36 0.11 -0.18 1.23 0.02 0.00 0.00 177.57 179.11 1q3g h GLY 164 N -0.61 -0.27 1.11 2.17 0.00 -2.00 -1.81 103.07 101.67 1q3g h GLY 164 Ca -0.03 0.21 0.01 0.00 0.00 0.00 0.00 47.33 47.52 1q3g h GLY 164 CO 0.06 -0.17 0.58 0.00 0.00 0.00 0.00 176.54 177.01 1q3g h ALA 165 N 0.58 1.39 -0.72 3.60 0.00 -1.93 -1.03 119.26 121.15 1q3g h ALA 165 Ca 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1q3g h ALA 165 Cb 0.36 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1q3g h ALA 165 CO -0.14 0.56 0.42 1.15 0.00 0.00 0.00 179.25 181.23 1q3g h THR 166 N 1.17 1.21 -0.11 0.00 2.02 -0.90 -1.43 112.91 114.88 1q3g h THR 166 Ca 0.33 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 1q3g h THR 166 Cb -0.11 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 66.54 1q3g h THR 166 CO -0.08 0.23 0.03 0.58 0.37 0.00 0.00 175.52 176.66 1q3g h VAL 167 N 0.99 1.17 0.12 3.16 2.07 -0.65 -0.24 116.25 122.87 1q3g h VAL 167 Ca 0.26 -0.53 0.02 0.00 0.82 0.00 0.00 66.70 67.26 1q3g h VAL 167 Cb 0.00 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1q3g h VAL 167 CO -0.04 0.16 -0.24 0.74 0.02 0.00 0.00 177.57 178.20 1q3g h THR 168 N -0.01 0.47 -0.06 2.57 2.02 -0.98 0.25 112.91 117.17 1q3g h THR 168 Ca 0.03 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.21 1q3g h THR 168 Cb 0.22 0.47 -0.00 0.00 -1.74 0.00 0.00 68.15 67.09 1q3g h THR 168 CO -0.00 0.00 0.03 0.40 0.37 0.00 0.00 175.52 176.32 1q3g h ILE 169 N -0.44 1.10 -0.94 3.11 2.04 -1.26 -1.47 117.51 119.65 1q3g h ILE 169 Ca 0.03 -0.29 0.03 0.00 1.00 0.00 0.00 64.86 65.63 1q3g h ILE 169 Cb 0.46 1.18 -0.05 0.00 -0.74 0.00 0.00 36.82 37.67 1q3g h ILE 169 CO -0.14 0.08 0.61 -0.03 0.00 0.00 0.00 178.15 178.68 1q3g h MET 170 N -0.01 1.16 -0.00 2.37 4.05 -0.93 -0.79 114.93 120.78 1q3g h MET 170 Ca 0.02 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1q3g h MET 170 Cb 0.11 -0.26 -0.00 0.00 -0.80 0.00 0.00 31.60 30.65 1q3g h MET 170 CO -0.00 0.77 0.00 0.77 0.23 0.00 0.00 176.91 178.68 1q3g h SER 171 N 1.20 0.01 -0.48 1.39 0.02 -0.77 -3.12 113.55 111.79 1q3g h SER 171 Ca 0.37 -0.28 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 1q3g h SER 171 Cb -0.03 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 1q3g h SER 171 CO -0.11 0.28 0.20 0.00 -1.14 0.00 0.00 176.83 176.05 1q3g h ALA 172 N 0.73 1.35 0.00 3.77 0.00 -1.02 -2.70 119.26 121.38 1q3g h ALA 172 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1q3g h ALA 172 Cb 0.28 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1q3g h ALA 172 CO 0.00 0.48 -0.07 0.00 0.00 0.00 0.00 179.25 179.66 1q3g h ALA 173 N 1.46 1.38 -0.07 0.00 0.00 -1.09 -2.93 119.26 118.01 1q3g h ALA 173 Ca 0.18 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1q3g h ALA 173 Cb 0.18 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1q3g h ALA 173 CO -0.01 0.09 0.06 1.79 0.00 0.00 0.00 179.25 181.17 1q3g h THR 174 N 0.00 0.91 -0.46 0.00 1.35 -1.44 -1.12 112.91 112.15 1q3g h THR 174 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1q3g h THR 174 Cb 0.20 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 1q3g h THR 174 CO 0.01 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.46 1q3g n LEU 175 N -4.45 3.98 -4.90 3.87 4.77 -1.11 -0.66 117.00 118.52 1q3g n LEU 175 Ca -0.01 -2.45 -0.29 0.00 -0.03 0.00 0.00 56.01 53.23 1q3g n LEU 175 Cb 0.16 -0.46 0.04 0.00 -2.33 0.00 0.00 43.42 40.82 1q3g n LEU 175 CO 0.34 0.76 0.65 0.00 -1.33 0.00 0.00 177.39 177.81 1q3g s ALA 176 N -1.83 3.09 -0.45 -1.18 0.00 -0.42 -4.51 121.76 116.45 1q3g s ALA 176 Ca 0.40 -0.46 -0.20 0.00 0.00 0.00 0.00 51.96 51.71 1q3g s ALA 176 Cb 0.27 -2.85 0.03 0.00 0.00 0.00 0.00 23.12 20.57 1q3g s ALA 176 CO 0.18 -0.94 0.59 -2.00 0.00 0.00 0.00 175.76 173.59 1q3g s GLU 177 N -5.18 3.20 0.00 0.00 2.12 0.20 -3.82 118.70 115.22 1q3g s GLU 177 Ca 0.56 -0.58 0.00 0.00 0.36 0.00 0.00 54.97 55.31 1q3g s GLU 177 Cb -0.11 -3.99 0.00 0.00 0.26 0.00 0.00 34.13 30.29 1q3g s GLU 177 CO 0.49 -1.02 0.00 0.41 -0.54 0.00 0.00 175.26 174.60 1q3g n GLY 178 N 5.08 -0.84 3.59 -1.50 0.00 -1.26 -1.10 105.19 109.17 1q3g n GLY 178 Ca -0.04 -2.14 -0.34 0.00 0.00 0.00 0.00 46.02 43.50 1q3g n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q3g s THR 179 N 0.00 3.94 -0.01 2.61 2.01 -1.26 -0.91 115.64 122.02 1q3g s THR 179 Ca 0.00 -0.38 0.06 0.00 0.31 0.00 0.00 61.69 61.68 1q3g s THR 179 Cb 0.00 -2.65 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 1q3g s THR 179 CO 0.00 0.57 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.43 1q3g s THR 180 N -0.50 2.75 -0.09 -0.82 2.01 0.14 -2.57 115.64 116.56 1q3g s THR 180 Ca 0.08 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 61.09 1q3g s THR 180 Cb -0.12 -2.09 0.02 0.00 0.01 0.00 0.00 72.50 70.32 1q3g s THR 180 CO 0.02 0.49 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.73 1q3g s ILE 181 N -0.79 0.96 -0.34 1.82 1.01 -0.46 -0.31 121.20 123.10 1q3g s ILE 181 Ca 0.12 -0.30 -0.10 0.00 0.00 0.00 0.00 60.65 60.38 1q3g s ILE 181 Cb -0.10 -0.96 0.01 0.00 0.01 0.00 0.00 42.46 41.41 1q3g s ILE 181 CO 0.02 0.34 0.18 -0.63 0.00 0.00 0.00 174.94 174.86 1q3g s ILE 182 N 1.37 4.63 0.09 2.92 1.01 0.11 -0.49 121.20 130.85 1q3g s ILE 182 Ca -0.02 -0.60 -0.17 0.00 0.00 0.00 0.00 60.65 59.87 1q3g s ILE 182 Cb -0.14 -3.46 -0.07 0.00 0.01 0.00 0.00 42.46 38.81 1q3g s ILE 182 CO -0.04 -0.07 0.55 -1.61 0.00 0.00 0.00 174.94 173.77 1q3g s GLU 183 N 1.59 4.09 -1.36 2.79 0.41 0.91 -1.63 118.70 125.50 1q3g s GLU 183 Ca 0.04 0.61 -0.09 0.00 -0.41 0.00 0.00 54.97 55.12 1q3g s GLU 183 Cb -0.18 -3.12 0.02 0.00 -1.78 0.00 0.00 34.13 29.07 1q3g s GLU 183 CO 0.07 0.58 1.15 -1.71 -0.49 0.00 0.00 175.26 174.86 1q3g n ASN 184 N 1.38 -5.85 -4.80 -0.19 5.15 0.12 -1.84 115.26 109.23 1q3g n ASN 184 Ca -0.09 -0.57 -0.32 0.00 -0.60 0.00 0.00 54.58 53.00 1q3g n ASN 184 Cb 0.51 -4.93 0.04 0.00 -0.53 0.00 0.00 39.78 34.87 1q3g n ASN 184 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1q3g s ALA 185 N -3.32 2.61 0.28 5.20 0.00 -0.67 -4.60 121.76 121.26 1q3g s ALA 185 Ca 0.54 0.32 -0.29 0.00 0.00 0.00 0.00 51.96 52.53 1q3g s ALA 185 Cb -0.24 -3.24 -0.10 0.00 0.00 0.00 0.00 23.12 19.54 1q3g s ALA 185 CO 0.74 -1.14 1.13 0.00 0.00 0.00 0.00 175.76 176.49 1q3g s ALA 186 N -2.66 3.42 -0.33 0.00 0.00 -1.26 -4.50 121.76 116.43 1q3g s ALA 186 Ca 0.62 0.94 0.09 0.00 0.00 0.00 0.00 51.96 53.61 1q3g s ALA 186 Cb -0.16 -3.35 0.60 0.00 0.00 0.00 0.00 23.12 20.21 1q3g s ALA 186 CO 0.45 -0.22 1.65 0.54 0.00 0.00 0.00 175.76 178.18 1q3g n ARG 187 N 1.16 2.47 -2.16 0.00 3.00 -1.26 -4.65 116.66 115.22 1q3g n ARG 187 Ca -0.01 -3.08 -0.39 0.00 -0.01 0.00 0.00 57.85 54.36 1q3g n ARG 187 Cb 0.44 -2.00 -0.02 0.00 0.00 0.00 0.00 32.46 30.89 1q3g n ARG 187 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1q3g s GLU 188 N -3.16 4.12 0.46 5.56 8.01 -1.26 -4.74 118.70 127.70 1q3g s GLU 188 Ca 0.50 2.06 0.26 0.00 0.01 0.00 0.00 54.97 57.79 1q3g s GLU 188 Cb 0.42 -2.83 1.29 0.00 -4.31 0.00 0.00 34.13 28.70 1q3g s GLU 188 CO 0.07 -0.33 1.80 -1.35 0.01 0.00 0.00 175.26 175.46 1q3g h PRO 189 N 2.90 0.22 -0.13 0.39 0.11 -1.96 0.48 132.00 134.00 1q3g h PRO 189 Ca -0.49 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 1q3g h PRO 189 Cb 1.24 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1q3g h PRO 189 CO 0.63 0.14 -0.25 0.93 -0.21 0.00 0.00 178.00 179.25 1q3g h GLU 190 N 0.22 0.24 -0.37 1.05 3.07 -1.90 -0.58 114.58 116.31 1q3g h GLU 190 Ca 0.56 -0.08 -0.05 0.00 -0.50 0.00 0.00 59.36 59.30 1q3g h GLU 190 Cb 1.76 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.63 1q3g h GLU 190 CO -0.17 0.47 0.04 0.82 -1.40 0.00 0.00 179.01 178.78 1q3g h ILE 191 N 0.21 1.25 -0.48 3.13 1.08 -0.39 0.14 117.51 122.44 1q3g h ILE 191 Ca 0.04 -0.89 0.00 0.00 -0.39 0.00 0.00 64.86 63.61 1q3g h ILE 191 Cb 0.56 1.12 -0.02 0.00 -3.07 0.00 0.00 36.82 35.40 1q3g h ILE 191 CO 0.04 0.30 0.32 0.58 -0.69 0.00 0.00 178.15 178.70 1q3g h VAL 192 N 0.45 1.13 -0.48 1.67 2.07 -1.20 0.24 116.25 120.14 1q3g h VAL 192 Ca 0.11 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 1q3g h VAL 192 Cb 0.39 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1q3g h VAL 192 CO 0.01 0.13 0.18 -0.78 0.02 0.00 0.00 177.57 177.13 1q3g h ASP 193 N 0.65 0.67 -0.53 0.57 3.58 -0.82 -0.39 116.42 120.16 1q3g h ASP 193 Ca 0.18 -0.18 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 1q3g h ASP 193 Cb -0.06 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 40.79 1q3g h ASP 193 CO -0.04 0.67 0.03 0.74 -2.88 0.00 0.00 179.24 177.76 1q3g h THR 194 N 0.63 1.26 -0.03 2.25 2.02 -0.48 -1.56 112.91 117.00 1q3g h THR 194 Ca 0.16 -1.06 -0.00 0.00 0.77 0.00 0.00 66.41 66.28 1q3g h THR 194 Cb 0.21 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1q3g h THR 194 CO -0.01 0.38 0.02 0.00 0.37 0.00 0.00 175.52 176.28 1q3g h ALA 195 N 1.14 0.04 -0.07 6.16 0.00 -0.58 -1.66 119.26 124.30 1q3g h ALA 195 Ca 0.17 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1q3g h ALA 195 Cb 0.48 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1q3g h ALA 195 CO 0.02 -0.42 -0.10 -0.91 0.00 0.00 0.00 179.25 177.84 1q3g h ASN 196 N -0.03 0.09 -0.11 0.00 2.35 -0.89 -0.50 115.58 116.51 1q3g h ASN 196 Ca 0.01 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1q3g h ASN 196 Cb 0.07 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.42 1q3g h ASN 196 CO -0.00 0.21 0.01 0.15 -1.65 0.00 0.00 177.43 176.15 1q3g h PHE 197 N 0.10 0.20 -0.77 1.19 3.57 -0.90 -0.84 116.94 119.49 1q3g h PHE 197 Ca 0.02 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1q3g h PHE 197 Cb 0.24 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.89 1q3g h PHE 197 CO 0.00 0.41 0.50 -0.07 -2.23 0.00 0.00 178.31 176.92 1q3g h LEU 198 N -0.07 0.84 -1.37 0.59 3.38 -0.68 -0.74 115.31 117.26 1q3g h LEU 198 Ca 0.03 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1q3g h LEU 198 Cb 0.32 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1q3g h LEU 198 CO 0.00 0.58 0.33 0.58 0.09 0.00 0.00 178.44 180.03 1q3g h VAL 199 N 0.99 1.16 0.00 1.22 2.07 -0.92 -0.39 116.25 120.38 1q3g h VAL 199 Ca 0.30 -0.37 -0.06 0.00 0.82 0.00 0.00 66.70 67.39 1q3g h VAL 199 Cb -0.03 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1q3g h VAL 199 CO -0.10 0.17 -0.27 0.00 0.02 0.00 0.00 177.57 177.40 1q3g h ALA 200 N 1.59 1.53 -0.00 1.67 0.00 0.34 -1.19 119.26 123.20 1q3g h ALA 200 Ca 0.20 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1q3g h ALA 200 Cb -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1q3g h ALA 200 CO -0.04 0.34 -0.05 1.28 0.00 0.00 0.00 179.25 180.78 1q3g n LEU 201 N -4.18 0.32 0.00 0.00 4.77 -0.30 -4.82 117.00 112.79 1q3g n LEU 201 Ca -0.02 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1q3g n LEU 201 Cb 0.32 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1q3g n LEU 201 CO 0.37 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1q3g n GLY 202 N 1.21 1.04 3.74 -0.72 0.00 -0.45 -0.22 105.19 109.78 1q3g n GLY 202 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1q3g n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q3g s ALA 203 N -2.00 2.10 -0.37 4.61 0.00 -0.35 -4.95 121.76 120.80 1q3g s ALA 203 Ca 0.00 0.48 -0.02 0.00 0.00 0.00 0.00 51.96 52.42 1q3g s ALA 203 Cb 0.00 -3.35 0.09 0.00 0.00 0.00 0.00 23.12 19.86 1q3g s ALA 203 CO 0.00 -1.91 0.12 0.15 0.00 0.00 0.00 175.76 174.12 1q3g s LYS 204 N -4.55 2.08 0.03 0.00 1.02 -1.26 -4.25 119.74 112.82 1q3g s LYS 204 Ca 0.65 -1.65 0.03 0.00 0.02 0.00 0.00 55.97 55.02 1q3g s LYS 204 Cb -0.21 -3.41 -0.02 0.00 -0.52 0.00 0.00 37.83 33.67 1q3g s LYS 204 CO 0.52 -0.91 -0.08 0.42 -0.92 0.00 0.00 175.35 174.38 1q3g s ILE 205 N 1.15 0.60 0.03 2.17 1.01 -1.26 -1.48 121.20 123.42 1q3g s ILE 205 Ca 0.04 -0.82 -0.15 0.00 0.00 0.00 0.00 60.65 59.73 1q3g s ILE 205 Cb -0.21 -0.60 0.02 0.00 0.01 0.00 0.00 42.46 41.68 1q3g s ILE 205 CO -0.04 -0.17 0.32 -0.94 0.00 0.00 0.00 174.94 174.12 1q3g s SER 206 N -1.08 -0.16 0.00 3.58 1.04 -0.55 -4.91 113.70 111.62 1q3g s SER 206 Ca -0.04 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.29 1q3g s SER 206 Cb -0.07 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.41 1q3g s SER 206 CO 0.00 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.25 1q3g n GLY 207 N 0.72 0.66 3.66 7.32 0.00 -1.26 -0.63 105.19 115.66 1q3g n GLY 207 Ca -0.19 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.37 1q3g n GLY 207 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q3g n GLN 208 N -2.00 2.00 0.00 1.61 0.00 -1.26 -0.39 117.38 117.34 1q3g n GLN 208 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 57.00 57.72 1q3g n GLN 208 Cb 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 30.24 27.82 1q3g n GLN 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1q3g n GLY 209 N 2.75 1.50 3.84 2.61 0.00 -1.26 -4.89 105.19 109.73 1q3g n GLY 209 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 1q3g n GLY 209 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1q3g s THR 210 N -2.35 1.66 -2.02 2.61 -4.23 0.48 -4.76 115.64 107.03 1q3g s THR 210 Ca 0.00 -1.65 0.07 0.00 -1.18 0.00 0.00 61.69 58.93 1q3g s THR 210 Cb 0.00 -2.31 0.19 0.00 1.34 0.00 0.00 72.50 71.72 1q3g s THR 210 CO 0.00 0.00 1.19 -0.90 -0.54 0.00 0.00 174.62 174.37 1q3g n ASP 211 N -1.54 0.81 -3.64 3.99 5.68 -1.26 -4.56 116.55 116.02 1q3g n ASP 211 Ca -0.06 -1.94 -0.26 0.00 -0.50 0.00 0.00 54.79 52.03 1q3g n ASP 211 Cb 0.65 -0.09 -0.17 0.00 -1.14 0.00 0.00 41.12 40.37 1q3g n ASP 211 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 1q3g s ARG 212 N -1.81 0.22 -0.16 0.11 3.52 -1.25 0.14 118.95 119.71 1q3g s ARG 212 Ca 0.13 -0.17 -0.05 0.00 -0.13 0.00 0.00 55.73 55.51 1q3g s ARG 212 Cb 0.07 -1.90 -0.03 0.00 -1.56 0.00 0.00 34.95 31.52 1q3g s ARG 212 CO 0.09 -0.66 0.00 0.42 -0.81 0.00 0.00 175.30 174.34 1q3g s ILE 213 N 2.06 4.25 -0.18 4.11 1.01 -0.65 -4.45 121.20 127.35 1q3g s ILE 213 Ca 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 60.65 60.41 1q3g s ILE 213 Cb -0.16 -2.88 -0.01 0.00 0.01 0.00 0.00 42.46 39.42 1q3g s ILE 213 CO -0.09 0.49 -0.09 -0.89 0.00 0.00 0.00 174.94 174.35 1q3g s THR 214 N 0.31 3.12 -0.09 2.92 2.01 0.20 0.07 115.64 124.18 1q3g s THR 214 Ca -0.01 -0.60 0.04 0.00 0.31 0.00 0.00 61.69 61.43 1q3g s THR 214 Cb -0.13 -2.37 0.00 0.00 0.01 0.00 0.00 72.50 70.01 1q3g s THR 214 CO 0.02 0.48 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.58 1q3g s ILE 215 N 0.99 1.86 -0.33 1.82 1.09 0.58 -1.48 121.20 125.73 1q3g s ILE 215 Ca -0.01 -0.91 -0.04 0.00 -1.10 0.00 0.00 60.65 58.59 1q3g s ILE 215 Cb -0.15 -1.62 0.05 0.00 -1.06 0.00 0.00 42.46 39.68 1q3g s ILE 215 CO -0.01 0.52 0.08 -0.70 -0.10 0.00 0.00 174.94 174.72 1q3g s GLU 216 N 0.38 2.50 0.79 2.79 2.12 -0.55 0.28 118.70 127.00 1q3g s GLU 216 Ca -0.17 -1.27 -0.15 0.00 0.36 0.00 0.00 54.97 53.73 1q3g s GLU 216 Cb -0.17 -3.37 0.00 0.00 0.26 0.00 0.00 34.13 30.85 1q3g s GLU 216 CO 0.08 -0.69 0.65 0.41 -0.54 0.00 0.00 175.26 175.17 1q3g n GLY 217 N 4.72 -1.29 3.23 -1.50 0.00 -0.08 -4.12 105.19 106.15 1q3g n GLY 217 Ca -0.12 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 1q3g n GLY 217 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1q3g s VAL 218 N -2.04 0.56 0.14 1.61 -7.23 0.17 -4.72 120.40 108.89 1q3g s VAL 218 Ca 0.66 -1.97 -0.14 0.00 -1.81 0.00 0.00 61.98 58.72 1q3g s VAL 218 Cb -0.31 -2.14 0.02 0.00 0.56 0.00 0.00 36.38 34.51 1q3g s VAL 218 CO 0.58 -0.44 1.67 -0.33 -0.31 0.00 0.00 175.10 176.26 1q3g h GLU 219 N 2.71 0.72 -3.27 4.82 5.08 -1.90 -3.39 114.58 119.34 1q3g h GLU 219 Ca -0.36 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 57.81 1q3g h GLU 219 Cb 1.21 -0.10 -0.11 0.00 0.50 0.00 0.00 28.75 30.24 1q3g h GLU 219 CO 0.62 0.69 0.04 -0.98 -1.00 0.00 0.00 179.01 178.37 1q3g s ARG 220 N -5.41 1.29 -0.03 2.33 1.70 -1.26 -4.99 118.95 112.58 1q3g s ARG 220 Ca -0.13 -0.76 0.03 0.00 -0.47 0.00 0.00 55.73 54.40 1q3g s ARG 220 Cb 0.11 0.52 -0.03 0.00 -0.57 0.00 0.00 34.95 34.98 1q3g s ARG 220 CO 0.78 -0.54 -0.11 -0.51 -1.08 0.00 0.00 175.30 173.84 1q3g s LEU 221 N -2.84 2.94 0.00 -1.89 1.43 -1.26 -4.88 118.68 112.18 1q3g s LEU 221 Ca 0.06 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 1q3g s LEU 221 Cb -0.00 -1.65 0.00 0.00 0.03 0.00 0.00 46.19 44.56 1q3g s LEU 221 CO -0.07 0.32 0.00 0.61 0.23 0.00 0.00 176.35 177.44 1q3g n GLY 222 N 1.97 0.68 0.00 -3.19 0.00 0.69 -1.32 105.19 104.03 1q3g n GLY 222 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1q3g n GLY 222 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q3g n GLY 223 N 5.00 3.89 0.00 -0.02 0.00 -1.23 -2.14 105.19 110.69 1q3g n GLY 223 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1q3g n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q3g n GLY 224 N 0.00 -0.04 3.02 -0.02 0.00 -0.65 -4.51 105.19 102.99 1q3g n GLY 224 Ca 0.00 -1.56 -0.26 0.00 0.00 0.00 0.00 46.02 44.20 1q3g n GLY 224 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q3g s VAL 225 N -2.63 1.24 -0.02 1.61 1.01 -1.26 -0.71 120.40 119.64 1q3g s VAL 225 Ca 0.00 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.48 1q3g s VAL 225 Cb 0.00 -1.15 0.01 0.00 0.00 0.00 0.00 36.38 35.24 1q3g s VAL 225 CO 0.00 0.39 -0.03 -0.47 0.00 0.00 0.00 175.10 174.99 1q3g s TYR 226 N 0.90 0.40 -0.27 5.22 5.04 -0.46 -4.99 117.35 123.19 1q3g s TYR 226 Ca -0.10 -0.06 -0.09 0.00 -2.44 0.00 0.00 57.07 54.38 1q3g s TYR 226 Cb -0.15 -0.34 -0.04 0.00 0.35 0.00 0.00 41.96 41.78 1q3g s TYR 226 CO 0.01 -0.07 0.14 0.50 -1.34 0.00 0.00 175.55 174.79 1q3g s ARG 227 N 0.39 3.77 0.43 4.97 3.52 -1.26 0.17 118.95 130.93 1q3g s ARG 227 Ca -0.04 -0.42 -0.26 0.00 -0.13 0.00 0.00 55.73 54.88 1q3g s ARG 227 Cb -0.07 -3.52 -0.09 0.00 -1.56 0.00 0.00 34.95 29.71 1q3g s ARG 227 CO -0.01 -0.21 1.38 0.08 -0.81 0.00 0.00 175.30 175.73 1q3g s VAL 228 N 1.69 2.31 0.81 7.11 1.01 -0.36 -4.94 120.40 128.02 1q3g s VAL 228 Ca 0.07 0.27 -0.11 0.00 0.00 0.00 0.00 61.98 62.20 1q3g s VAL 228 Cb -0.16 -3.16 0.08 0.00 0.00 0.00 0.00 36.38 33.14 1q3g s VAL 228 CO 0.08 0.04 1.09 -1.48 0.00 0.00 0.00 175.10 174.83 1q3g s LEU 229 N -2.58 2.58 0.55 3.92 2.34 -1.26 -4.72 118.68 119.51 1q3g s LEU 229 Ca 0.59 1.36 -0.22 0.00 0.06 0.00 0.00 54.13 55.93 1q3g s LEU 229 Cb -0.41 -3.96 -0.05 0.00 -0.56 0.00 0.00 46.19 41.20 1q3g s LEU 229 CO 0.53 -2.05 1.34 -2.65 -1.06 0.00 0.00 176.35 172.46 1q3g n PRO 230 N -3.49 1.67 -2.50 1.48 -0.02 -1.26 -0.31 135.00 130.57 1q3g n PRO 230 Ca 0.07 0.61 -0.41 0.00 -2.02 0.00 0.00 63.50 61.75 1q3g n PRO 230 Cb 0.56 -2.56 -0.03 0.00 -0.02 0.00 0.00 33.50 31.45 1q3g n PRO 230 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1q3g s ASP 231 N -0.91 6.16 0.50 2.55 -1.08 -0.64 -4.27 116.67 118.98 1q3g s ASP 231 Ca 0.72 -0.16 0.19 0.00 -0.52 0.00 0.00 52.55 52.77 1q3g s ASP 231 Cb -0.42 -2.55 1.26 0.00 -1.46 0.00 0.00 42.92 39.74 1q3g s ASP 231 CO 0.49 -1.77 2.08 0.08 0.52 0.00 0.00 175.17 176.57 1q3g h ARG 232 N 10.39 0.00 -0.11 4.34 0.11 -1.91 -2.04 114.38 125.16 1q3g h ARG 232 Ca -0.27 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.59 1q3g h ARG 232 Cb 1.06 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.15 1q3g h ARG 232 CO 1.24 0.10 -0.82 0.82 0.10 0.00 0.00 179.97 181.40 1q3g h ILE 233 N 0.00 1.30 -0.58 0.08 1.08 -1.96 0.18 117.51 117.61 1q3g h ILE 233 Ca -0.00 -2.07 -0.03 0.00 -0.39 0.00 0.00 64.86 62.37 1q3g h ILE 233 Cb 0.19 2.09 -0.03 0.00 -3.07 0.00 0.00 36.82 36.00 1q3g h ILE 233 CO 0.01 0.65 0.25 -0.08 -0.69 0.00 0.00 178.15 178.29 1q3g h GLU 234 N 0.46 0.85 0.27 2.37 4.81 -1.84 0.16 114.58 121.67 1q3g h GLU 234 Ca -0.06 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1q3g h GLU 234 Cb 1.45 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.67 1q3g h GLU 234 CO 0.16 0.72 -0.23 1.15 -0.73 0.00 0.00 179.01 180.08 1q3g h THR 235 N 0.79 0.51 -0.66 0.32 2.02 -1.28 -1.58 112.91 113.03 1q3g h THR 235 Ca 0.20 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.43 1q3g h THR 235 Cb 0.17 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 1q3g h THR 235 CO -0.02 0.00 0.44 1.23 0.37 0.00 0.00 175.52 177.54 1q3g h GLY 236 N -0.51 0.85 0.94 2.16 0.00 -0.60 -1.07 103.07 104.84 1q3g h GLY 236 Ca -0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 1q3g h GLY 236 CO -0.02 0.21 0.14 -0.84 0.00 0.00 0.00 176.54 176.03 1q3g h THR 237 N 0.69 1.21 -0.09 4.70 2.02 -0.07 -1.43 112.91 119.93 1q3g h THR 237 Ca 0.28 -0.67 -0.14 0.00 0.77 0.00 0.00 66.41 66.66 1q3g h THR 237 Cb 0.23 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 1q3g h THR 237 CO -0.09 0.24 -0.56 -0.26 0.37 0.00 0.00 175.52 175.22 1q3g h PHE 238 N 0.51 0.35 -0.56 3.16 -1.00 -0.66 -0.66 116.94 118.08 1q3g h PHE 238 Ca 0.13 -0.13 -0.07 0.00 2.81 0.00 0.00 57.97 60.71 1q3g h PHE 238 Cb 0.23 -0.07 -0.02 0.00 3.61 0.00 0.00 35.95 39.70 1q3g h PHE 238 CO 0.01 0.77 0.06 -0.07 -1.61 0.00 0.00 178.31 177.47 1q3g h LEU 239 N 0.22 0.86 -0.75 1.54 3.38 -1.08 -1.89 115.31 117.59 1q3g h LEU 239 Ca 0.00 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.65 1q3g h LEU 239 Cb 1.05 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1q3g h LEU 239 CO 0.09 0.89 -0.42 0.58 0.09 0.00 0.00 178.44 179.67 1q3g h VAL 240 N 0.85 1.31 -0.75 1.22 2.07 -0.93 -1.19 116.25 118.83 1q3g h VAL 240 Ca 0.17 -1.59 0.08 0.00 0.82 0.00 0.00 66.70 66.19 1q3g h VAL 240 Cb 0.42 1.63 -0.07 0.00 -1.52 0.00 0.00 31.29 31.75 1q3g h VAL 240 CO 0.01 0.49 0.41 0.00 0.02 0.00 0.00 177.57 178.50 1q3g h ALA 241 N 1.18 1.04 -0.05 1.67 0.00 -0.34 -1.16 119.26 121.60 1q3g h ALA 241 Ca 0.03 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1q3g h ALA 241 Cb 0.89 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1q3g h ALA 241 CO 0.08 0.05 -0.14 0.00 0.00 0.00 0.00 179.25 179.24 1q3g h ALA 242 N 1.41 0.08 -0.73 0.00 0.00 -1.15 -3.12 119.26 115.74 1q3g h ALA 242 Ca 0.35 -0.37 0.15 0.00 0.00 0.00 0.00 54.91 55.05 1q3g h ALA 242 Cb 0.30 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1q3g h ALA 242 CO -0.23 -0.00 0.49 0.00 0.00 0.00 0.00 179.25 179.51 1q3g h ALA 243 N 0.42 2.16 -0.00 0.00 0.00 -0.74 -1.71 119.26 119.40 1q3g h ALA 243 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1q3g h ALA 243 Cb 0.77 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1q3g h ALA 243 CO 0.03 -0.36 -0.49 0.44 0.00 0.00 0.00 179.25 178.88 1q3g n ILE 244 N -4.47 0.00 -0.77 0.00 -5.35 -0.48 -4.09 119.36 104.21 1q3g n ILE 244 Ca 0.14 -0.06 0.08 0.00 -0.27 0.00 0.00 62.75 62.64 1q3g n ILE 244 Cb 0.54 0.45 0.18 0.00 -1.74 0.00 0.00 39.64 39.07 1q3g n ILE 244 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1q3g n SER 245 N -1.14 3.05 -0.04 7.28 3.41 -0.70 -4.94 113.62 120.54 1q3g n SER 245 Ca 0.08 -2.75 -0.01 0.00 -0.26 0.00 0.00 58.87 55.93 1q3g n SER 245 Cb 0.35 -0.39 -0.00 0.00 -0.26 0.00 0.00 64.21 63.90 1q3g n SER 245 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1q3g n GLY 246 N -0.62 0.11 0.56 5.00 0.00 -1.01 -4.37 105.19 104.86 1q3g n GLY 246 Ca 0.16 -0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.13 1q3g n GLY 246 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q3g n GLY 247 N 0.52 -0.33 2.91 -0.02 0.00 -0.85 -1.75 105.19 105.67 1q3g n GLY 247 Ca -0.01 -1.80 -0.18 0.00 0.00 0.00 0.00 46.02 44.03 1q3g n GLY 247 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1q3g s LYS 248 N -3.14 0.61 0.05 1.61 2.20 -1.24 -1.33 119.74 118.50 1q3g s LYS 248 Ca 0.10 -0.12 -0.09 0.00 -0.36 0.00 0.00 55.97 55.50 1q3g s LYS 248 Cb -0.00 -0.63 0.00 0.00 -1.51 0.00 0.00 37.83 35.69 1q3g s LYS 248 CO 0.07 -0.00 0.20 -1.50 -0.36 0.00 0.00 175.35 173.76 1q3g s ILE 249 N 0.49 0.12 -0.09 5.43 2.07 0.78 -1.04 121.20 128.96 1q3g s ILE 249 Ca -0.06 -0.97 0.00 0.00 -1.41 0.00 0.00 60.65 58.22 1q3g s ILE 249 Cb -0.09 -1.03 0.02 0.00 0.13 0.00 0.00 42.46 41.49 1q3g s ILE 249 CO -0.00 -0.53 -0.08 -0.69 -1.91 0.00 0.00 174.94 171.73 1q3g s VAL 250 N -2.92 0.94 -0.25 4.00 1.01 -0.66 -0.59 120.40 121.93 1q3g s VAL 250 Ca -0.02 -0.28 -0.12 0.00 0.00 0.00 0.00 61.98 61.55 1q3g s VAL 250 Cb 0.01 -0.95 -0.05 0.00 0.00 0.00 0.00 36.38 35.39 1q3g s VAL 250 CO -0.06 0.34 0.24 0.00 0.00 0.00 0.00 175.10 175.62 1q3g s ARG 252 N 1.50 3.49 -1.34 0.00 1.81 0.31 -2.07 118.95 122.64 1q3g s ARG 252 Ca 0.10 -0.45 -0.06 0.00 -1.72 0.00 0.00 55.73 53.60 1q3g s ARG 252 Cb -0.15 -2.82 0.01 0.00 -0.45 0.00 0.00 34.95 31.54 1q3g s ARG 252 CO 0.08 0.35 0.77 0.09 -0.68 0.00 0.00 175.30 175.92 1q3g n ASN 253 N -1.10 -5.84 -4.96 0.23 4.13 -0.87 -0.99 115.26 105.85 1q3g n ASN 253 Ca -0.06 -0.36 -0.19 0.00 1.68 0.00 0.00 54.58 55.66 1q3g n ASN 253 Cb 0.55 -4.58 -0.01 0.00 -1.54 0.00 0.00 39.78 34.20 1q3g n ASN 253 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1q3g s ALA 254 N -3.19 4.22 -0.45 5.41 0.00 -0.38 -4.51 121.76 122.85 1q3g s ALA 254 Ca 0.38 -1.56 0.03 0.00 0.00 0.00 0.00 51.96 50.81 1q3g s ALA 254 Cb -0.17 -1.54 0.15 0.00 0.00 0.00 0.00 23.12 21.56 1q3g s ALA 254 CO 0.47 -0.09 0.30 -1.14 0.00 0.00 0.00 175.76 175.31 1q3g s GLN 255 N -4.18 1.18 0.31 0.00 0.74 -1.26 -4.10 119.66 112.35 1q3g s GLN 255 Ca 0.47 -2.09 0.05 0.00 0.05 0.00 0.00 55.36 53.84 1q3g s GLN 255 Cb -0.09 -1.99 0.83 0.00 1.10 0.00 0.00 33.01 32.87 1q3g s GLN 255 CO 0.31 -1.26 1.61 -1.35 -0.55 0.00 0.00 175.29 174.04 1q3g h PRO 256 N 6.25 0.10 0.00 1.67 0.11 -1.86 -2.02 132.00 136.25 1q3g h PRO 256 Ca 0.11 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1q3g h PRO 256 Cb 0.91 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1q3g h PRO 256 CO 0.44 0.06 0.00 -0.40 -0.21 0.00 0.00 178.00 177.89 1q3g n ASP 257 N -5.33 0.00 -0.78 -2.05 3.85 -1.26 -1.02 116.55 109.96 1q3g n ASP 257 Ca 0.25 0.49 0.12 0.00 -0.71 0.00 0.00 54.79 54.94 1q3g n ASP 257 Cb 0.81 -0.50 0.31 0.00 -1.35 0.00 0.00 41.12 40.39 1q3g n ASP 257 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1q3g n THR 258 N -1.50 0.25 -1.82 2.12 -2.24 -0.76 -4.30 114.28 106.03 1q3g n THR 258 Ca 0.01 -0.48 0.05 0.00 -2.27 0.00 0.00 64.05 61.36 1q3g n THR 258 Cb 0.03 0.72 0.09 0.00 -2.10 0.00 0.00 70.33 69.07 1q3g n THR 258 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1q3g n LEU 259 N 0.80 1.55 -0.11 3.22 4.77 -0.19 -4.89 117.00 122.15 1q3g n LEU 259 Ca 0.17 -2.55 -0.05 0.00 -0.03 0.00 0.00 56.01 53.55 1q3g n LEU 259 Cb 0.45 -0.24 0.01 0.00 -2.33 0.00 0.00 43.42 41.31 1q3g n LEU 259 CO 0.15 0.74 0.73 0.44 -1.33 0.00 0.00 177.39 178.12 1q3g h ASP 260 N 0.55 -0.61 -0.21 -1.43 3.32 -1.75 0.85 116.42 117.14 1q3g h ASP 260 Ca -0.06 0.15 0.02 0.00 0.02 0.00 0.00 57.03 57.15 1q3g h ASP 260 Cb 1.34 0.34 -0.02 0.00 0.22 0.00 0.00 39.33 41.20 1q3g h ASP 260 CO 0.03 -0.21 0.07 0.00 -1.72 0.00 0.00 179.24 177.40 1q3g h ALA 261 N 1.19 0.23 -0.32 3.45 0.00 -1.88 -0.55 119.26 121.38 1q3g h ALA 261 Ca 0.19 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1q3g h ALA 261 Cb 0.40 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1q3g h ALA 261 CO -0.46 -0.36 0.15 0.28 0.00 0.00 0.00 179.25 178.86 1q3g h VAL 262 N 0.17 1.17 -0.63 0.00 2.07 -1.76 -1.51 116.25 115.75 1q3g h VAL 262 Ca 0.09 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 1q3g h VAL 262 Cb 0.06 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1q3g h VAL 262 CO -0.10 0.17 0.24 -0.07 0.02 0.00 0.00 177.57 177.83 1q3g h LEU 263 N 0.38 0.86 -0.64 2.57 3.38 -0.70 -0.06 115.31 121.10 1q3g h LEU 263 Ca 0.11 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1q3g h LEU 263 Cb 0.14 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1q3g h LEU 263 CO -0.01 0.78 0.16 0.00 0.09 0.00 0.00 178.44 179.46 1q3g h ALA 264 N 1.34 0.85 -0.42 1.53 0.00 -0.85 -1.35 119.26 120.37 1q3g h ALA 264 Ca 0.21 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1q3g h ALA 264 Cb 0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1q3g h ALA 264 CO -0.02 0.56 -0.28 -0.22 0.00 0.00 0.00 179.25 179.29 1q3g h LYS 265 N 0.95 0.90 -0.70 0.00 1.63 -0.82 -2.02 116.57 116.51 1q3g h LYS 265 Ca 0.20 -0.41 -0.04 0.00 -0.85 0.00 0.00 60.65 59.55 1q3g h LYS 265 Cb 0.36 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.94 1q3g h LYS 265 CO 0.00 1.06 0.28 -0.07 -3.45 0.00 0.00 179.45 177.27 1q3g h LEU 266 N 0.76 0.95 -0.74 5.20 3.38 -0.75 -1.17 115.31 122.95 1q3g h LEU 266 Ca 0.09 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1q3g h LEU 266 Cb 0.85 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1q3g h LEU 266 CO 0.07 0.85 0.16 0.03 0.09 0.00 0.00 178.44 179.64 1q3g h ARG 267 N 1.02 1.12 0.00 1.13 3.08 -1.04 -1.17 114.38 118.52 1q3g h ARG 267 Ca 0.24 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1q3g h ARG 267 Cb 0.20 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 1q3g h ARG 267 CO -0.02 0.99 -0.08 0.93 -1.07 0.00 0.00 179.97 180.72 1q3g h GLU 268 N 1.06 0.00 0.00 0.04 5.08 -0.65 0.12 114.58 120.23 1q3g h GLU 268 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1q3g h GLU 268 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1q3g h GLU 268 CO 0.00 0.08 0.00 0.00 -1.00 0.00 0.00 179.01 178.09 1q3g n ALA 269 N -2.52 2.39 0.00 3.43 0.00 -0.51 -4.74 120.51 118.56 1q3g n ALA 269 Ca -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1q3g n ALA 269 Cb 0.16 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1q3g n ALA 269 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q3g n GLY 270 N 1.31 1.05 3.78 0.00 0.00 0.42 -0.10 105.19 111.64 1q3g n GLY 270 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1q3g n GLY 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q3g s ALA 271 N -2.00 3.17 -0.53 4.61 0.00 -0.57 -4.89 121.76 121.55 1q3g s ALA 271 Ca 0.00 0.66 -0.17 0.00 0.00 0.00 0.00 51.96 52.45 1q3g s ALA 271 Cb 0.00 -3.25 0.10 0.00 0.00 0.00 0.00 23.12 19.97 1q3g s ALA 271 CO 0.00 -0.06 0.53 0.34 0.00 0.00 0.00 175.76 176.57 1q3g s ASP 272 N -1.51 6.18 -0.07 0.00 2.15 -0.36 -4.42 116.67 118.65 1q3g s ASP 272 Ca 0.54 -1.46 0.01 0.00 0.43 0.00 0.00 52.55 52.07 1q3g s ASP 272 Cb -0.22 -2.23 -0.03 0.00 -0.30 0.00 0.00 42.92 40.14 1q3g s ASP 272 CO 0.28 -0.86 -0.07 -0.63 -0.17 0.00 0.00 175.17 173.71 1q3g s ILE 273 N 2.00 3.67 -0.01 4.11 1.01 -1.26 -1.29 121.20 129.44 1q3g s ILE 273 Ca 0.07 -0.49 -0.01 0.00 0.00 0.00 0.00 60.65 60.22 1q3g s ILE 273 Cb -0.26 -2.50 -0.00 0.00 0.01 0.00 0.00 42.46 39.72 1q3g s ILE 273 CO 0.06 0.60 0.03 -1.61 0.00 0.00 0.00 174.94 174.02 1q3g s GLU 274 N -0.80 0.10 0.20 2.79 2.02 -0.58 -5.00 118.70 117.43 1q3g s GLU 274 Ca 0.12 -0.07 0.09 0.00 0.02 0.00 0.00 54.97 55.13 1q3g s GLU 274 Cb -0.11 0.04 -0.04 0.00 0.10 0.00 0.00 34.13 34.12 1q3g s GLU 274 CO 0.01 -0.02 -0.17 0.95 0.02 0.00 0.00 175.26 176.06 1q3g s THR 275 N -0.26 1.88 0.00 3.63 -4.23 -1.26 -0.41 115.64 114.98 1q3g s THR 275 Ca -0.03 -2.12 0.00 0.00 -1.18 0.00 0.00 61.69 58.36 1q3g s THR 275 Cb -0.02 -2.00 0.00 0.00 1.34 0.00 0.00 72.50 71.82 1q3g s THR 275 CO -0.00 -0.45 0.00 0.61 -0.54 0.00 0.00 174.62 174.24 1q3g n GLY 276 N -0.13 5.63 0.31 3.99 0.00 0.42 -4.99 105.19 110.40 1q3g n GLY 276 Ca -0.10 -1.83 -0.08 0.00 0.00 0.00 0.00 46.02 44.01 1q3g n GLY 276 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1q3g h GLU 277 N 0.00 1.07 -0.16 1.61 4.57 -2.01 -3.35 114.58 116.30 1q3g h GLU 277 Ca 0.00 -0.29 -0.20 0.00 -1.18 0.00 0.00 59.36 57.69 1q3g h GLU 277 Cb 0.00 -0.12 -0.39 0.00 -0.16 0.00 0.00 28.75 28.08 1q3g h GLU 277 CO 0.00 0.99 -1.05 -0.40 -1.18 0.00 0.00 179.01 177.37 1q3g n ASP 278 N -4.25 1.16 -3.61 1.04 3.85 -1.26 -4.73 116.55 108.76 1q3g n ASP 278 Ca 0.04 -2.01 -0.12 0.00 -0.71 0.00 0.00 54.79 51.99 1q3g n ASP 278 Cb 0.29 -0.35 -0.05 0.00 -1.35 0.00 0.00 41.12 39.66 1q3g n ASP 278 CO 0.00 0.00 0.00 -1.66 -1.01 0.00 0.00 177.20 174.53 1q3g s TRP 279 N -1.43 -0.30 -0.01 2.11 1.48 -1.26 -1.26 118.94 118.28 1q3g s TRP 279 Ca 0.31 0.14 0.01 0.00 -1.06 0.00 0.00 56.10 55.49 1q3g s TRP 279 Cb 0.36 0.30 0.00 0.00 -1.16 0.00 0.00 33.47 32.97 1q3g s TRP 279 CO -0.12 -0.67 -0.02 0.42 -4.06 0.00 0.00 176.95 172.49 1q3g s ILE 280 N -3.20 0.21 -0.01 0.66 1.01 -0.88 -0.44 121.20 118.55 1q3g s ILE 280 Ca -0.01 -0.09 0.06 0.00 0.00 0.00 0.00 60.65 60.61 1q3g s ILE 280 Cb 0.00 -0.20 -0.01 0.00 0.01 0.00 0.00 42.46 42.26 1q3g s ILE 280 CO -0.08 0.07 -0.18 -0.94 0.00 0.00 0.00 174.94 173.81 1q3g s SER 281 N 0.08 2.14 -0.03 3.58 1.04 0.45 0.09 113.70 121.05 1q3g s SER 281 Ca -0.00 -0.34 0.01 0.00 0.48 0.00 0.00 55.95 56.10 1q3g s SER 281 Cb -0.03 -0.23 0.02 0.00 0.10 0.00 0.00 66.02 65.87 1q3g s SER 281 CO -0.00 0.22 -0.05 -0.22 0.98 0.00 0.00 173.24 174.17 1q3g s LEU 282 N -0.48 1.51 -0.08 2.42 0.20 0.24 -1.53 118.68 120.95 1q3g s LEU 282 Ca 0.07 -0.11 0.00 0.00 0.69 0.00 0.00 54.13 54.78 1q3g s LEU 282 Cb -0.07 -0.39 0.02 0.00 -0.43 0.00 0.00 46.19 45.32 1q3g s LEU 282 CO -0.01 -0.02 -0.07 -0.62 -0.29 0.00 0.00 176.35 175.35 1q3g s ASP 283 N 0.62 1.77 0.03 3.68 -1.08 -0.41 -0.15 116.67 121.12 1q3g s ASP 283 Ca -0.08 -0.23 0.24 0.00 -0.52 0.00 0.00 52.55 51.96 1q3g s ASP 283 Cb -0.11 -0.69 0.36 0.00 -1.46 0.00 0.00 42.92 41.01 1q3g s ASP 283 CO -0.00 -0.09 1.30 0.23 0.52 0.00 0.00 175.17 177.13 1q3g n MET 284 N 4.58 0.11 -3.73 4.34 2.81 -0.44 -1.22 117.12 123.57 1q3g n MET 284 Ca -0.16 0.02 -0.26 0.00 -1.81 0.00 0.00 57.70 55.49 1q3g n MET 284 Cb 0.50 -1.55 0.05 0.00 -0.71 0.00 0.00 33.22 31.52 1q3g n MET 284 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1q3g n HIS 285 N -1.70 -2.47 -1.05 2.03 8.25 -1.26 -1.26 115.22 117.76 1q3g n HIS 285 Ca 0.04 0.95 -0.02 0.00 -0.26 0.00 0.00 57.72 58.43 1q3g n HIS 285 Cb 0.37 -4.54 -0.01 0.00 1.12 0.00 0.00 29.99 26.93 1q3g n HIS 285 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1q3g n GLY 286 N -1.75 0.30 3.85 -1.41 0.00 -0.72 -4.98 105.19 100.48 1q3g n GLY 286 Ca -0.04 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 1q3g n GLY 286 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q3g s LYS 287 N -1.71 4.02 0.26 1.61 1.02 -0.39 -4.83 119.74 119.72 1q3g s LYS 287 Ca 0.00 0.62 -0.29 0.00 0.02 0.00 0.00 55.97 56.32 1q3g s LYS 287 Cb 0.00 -2.62 -0.09 0.00 -0.52 0.00 0.00 37.83 34.60 1q3g s LYS 287 CO 0.00 0.27 0.95 0.50 -0.92 0.00 0.00 175.35 176.15 1q3g s ARG 288 N -2.62 4.80 0.61 1.68 3.52 -1.26 -4.19 118.95 121.49 1q3g s ARG 288 Ca 0.49 1.47 -0.17 0.00 -0.13 0.00 0.00 55.73 57.39 1q3g s ARG 288 Cb -0.12 -3.19 -0.02 0.00 -1.56 0.00 0.00 34.95 30.05 1q3g s ARG 288 CO 0.19 0.46 1.14 -1.25 -0.81 0.00 0.00 175.30 175.03 1q3g s PRO 289 N -1.34 2.99 -0.05 5.12 0.04 -1.26 -4.84 135.00 135.66 1q3g s PRO 289 Ca 0.43 1.55 -0.14 0.00 0.04 0.00 0.00 61.00 62.88 1q3g s PRO 289 Cb -0.25 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.28 1q3g s PRO 289 CO 0.31 -1.13 0.37 0.15 0.04 0.00 0.00 177.00 176.75 1q3g s LYS 290 N -3.67 3.98 0.39 4.56 -0.14 0.86 -0.40 119.74 125.31 1q3g s LYS 290 Ca 0.71 0.32 -0.27 0.00 -1.36 0.00 0.00 55.97 55.37 1q3g s LYS 290 Cb -0.24 -3.28 -0.11 0.00 -1.68 0.00 0.00 37.83 32.53 1q3g s LYS 290 CO 0.35 0.57 1.31 0.00 -0.76 0.00 0.00 175.35 176.82 1q3g n ALA 291 N 2.33 1.48 -2.36 5.17 0.00 -0.45 -4.35 120.51 122.32 1q3g n ALA 291 Ca -0.13 0.31 -0.18 0.00 0.00 0.00 0.00 53.44 53.43 1q3g n ALA 291 Cb 0.52 -2.29 -0.10 0.00 0.00 0.00 0.00 19.45 17.58 1q3g n ALA 291 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1q3g s VAL 292 N -1.15 1.31 -0.17 0.00 -7.23 -1.26 -4.87 120.40 107.04 1q3g s VAL 292 Ca 0.58 -2.08 -0.03 0.00 -1.81 0.00 0.00 61.98 58.64 1q3g s VAL 292 Cb -0.52 -2.33 -0.02 0.00 0.56 0.00 0.00 36.38 34.07 1q3g s VAL 292 CO 0.60 -0.36 -0.06 -0.89 -0.31 0.00 0.00 175.10 174.08 1q3g s THR 293 N -3.23 3.60 0.07 5.32 2.01 -1.26 -2.93 115.64 119.20 1q3g s THR 293 Ca 0.28 -0.45 0.06 0.00 0.31 0.00 0.00 61.69 61.89 1q3g s THR 293 Cb 0.04 -2.58 -0.03 0.00 0.01 0.00 0.00 72.50 69.95 1q3g s THR 293 CO 0.09 0.48 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.64 1q3g s VAL 294 N 0.64 1.40 -0.20 3.82 1.01 0.24 -4.98 120.40 122.33 1q3g s VAL 294 Ca -0.03 -1.27 -0.05 0.00 0.00 0.00 0.00 61.98 60.63 1q3g s VAL 294 Cb -0.15 -1.27 0.07 0.00 0.00 0.00 0.00 36.38 35.03 1q3g s VAL 294 CO 0.02 -0.02 0.12 -0.60 0.00 0.00 0.00 175.10 174.62 1q3g s ARG 295 N -1.50 0.11 0.65 2.72 3.52 -1.26 -0.09 118.95 123.10 1q3g s ARG 295 Ca 0.03 -0.12 -0.16 0.00 -0.13 0.00 0.00 55.73 55.35 1q3g s ARG 295 Cb -0.09 -1.60 -0.00 0.00 -1.56 0.00 0.00 34.95 31.69 1q3g s ARG 295 CO 0.02 -0.74 1.16 0.95 -0.81 0.00 0.00 175.30 175.89 1q3g s THR 296 N 2.16 2.86 0.06 4.11 -4.23 -0.17 -4.39 115.64 116.03 1q3g s THR 296 Ca 0.04 0.45 -0.28 0.00 -1.18 0.00 0.00 61.69 60.72 1q3g s THR 296 Cb -0.16 -3.03 0.10 0.00 1.34 0.00 0.00 72.50 70.75 1q3g s THR 296 CO -0.15 -0.20 1.16 0.00 -0.54 0.00 0.00 174.62 174.89 1q3g s ALA 297 N -2.02 -2.00 0.79 3.99 0.00 -0.57 -4.07 121.76 117.89 1q3g s ALA 297 Ca 0.72 0.43 -0.14 0.00 0.00 0.00 0.00 51.96 52.97 1q3g s ALA 297 Cb -0.25 0.49 0.07 0.00 0.00 0.00 0.00 23.12 23.42 1q3g s ALA 297 CO 0.39 -1.05 1.15 -2.30 0.00 0.00 0.00 175.76 173.94 1q3g n PRO 298 N -0.50 0.27 -1.66 0.00 -0.02 -1.26 -4.41 135.00 127.42 1q3g n PRO 298 Ca -0.07 0.16 -0.38 0.00 -2.02 0.00 0.00 63.50 61.19 1q3g n PRO 298 Cb 0.62 -2.40 0.05 0.00 -0.02 0.00 0.00 33.50 31.75 1q3g n PRO 298 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 1q3g n HIS 299 N -3.12 1.30 1.23 6.00 -0.00 -1.26 -1.57 115.22 117.80 1q3g n HIS 299 Ca 0.13 0.44 0.01 0.00 0.46 0.00 0.00 57.72 58.77 1q3g n HIS 299 Cb 0.50 -2.20 0.05 0.00 -0.12 0.00 0.00 29.99 28.22 1q3g n HIS 299 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1q3g n PRO 300 N -1.14 1.38 -1.06 1.57 -0.04 -1.26 -4.61 135.00 129.84 1q3g n PRO 300 Ca 0.13 -0.39 -0.24 0.00 -0.04 0.00 0.00 63.50 62.96 1q3g n PRO 300 Cb 0.47 -1.33 0.19 0.00 -0.04 0.00 0.00 33.50 32.79 1q3g n PRO 300 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1q3g n ALA 301 N -0.07 -2.37 -1.75 0.55 0.00 -0.61 -4.26 120.51 112.01 1q3g n ALA 301 Ca 0.04 -1.36 -0.42 0.00 0.00 0.00 0.00 53.44 51.69 1q3g n ALA 301 Cb 0.23 -0.09 -0.03 0.00 0.00 0.00 0.00 19.45 19.56 1q3g n ALA 301 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1q3g s PHE 302 N -2.84 1.84 0.21 0.00 5.36 -1.26 -4.80 117.98 116.48 1q3g s PHE 302 Ca 0.59 -0.13 -0.30 0.00 -0.96 0.00 0.00 56.93 56.13 1q3g s PHE 302 Cb -0.05 -4.16 -0.08 0.00 -0.34 0.00 0.00 43.02 38.39 1q3g s PHE 302 CO 0.44 -4.93 1.22 -1.25 -1.46 0.00 0.00 175.22 169.24 1q3g s PRO 303 N 3.48 4.48 0.51 10.12 0.04 -1.26 -1.51 135.00 150.86 1q3g s PRO 303 Ca 0.82 1.93 0.26 0.00 0.04 0.00 0.00 61.00 64.05 1q3g s PRO 303 Cb -0.43 -3.21 1.39 0.00 0.04 0.00 0.00 34.50 32.29 1q3g s PRO 303 CO 0.37 -0.10 2.05 0.00 0.04 0.00 0.00 177.00 179.37 1q3g h THR 304 N 3.64 0.61 0.00 1.26 1.03 -1.92 -1.53 112.91 115.99 1q3g h THR 304 Ca -0.45 -0.57 0.00 0.00 -0.01 0.00 0.00 66.41 65.38 1q3g h THR 304 Cb 1.21 1.36 0.00 0.00 -1.07 0.00 0.00 68.15 69.66 1q3g h THR 304 CO 0.74 0.13 0.00 0.00 -0.01 0.00 0.00 175.52 176.37 1q3g n ALA 305 N -2.29 1.64 0.49 0.00 0.00 -1.26 -1.97 120.51 117.11 1q3g n ALA 305 Ca -0.02 -0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.43 1q3g n ALA 305 Cb 0.25 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1q3g n ALA 305 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1q3g n MET 306 N -1.42 1.86 0.02 0.00 2.00 -0.58 -4.73 117.12 114.27 1q3g n MET 306 Ca 0.04 -0.70 -0.12 0.00 0.00 0.00 0.00 57.70 56.92 1q3g n MET 306 Cb 0.13 -1.13 -0.06 0.00 0.00 0.00 0.00 33.22 32.16 1q3g n MET 306 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 1q3g h GLN 307 N 1.35 0.05 -0.40 0.03 -0.00 -1.40 -1.95 115.11 112.80 1q3g h GLN 307 Ca 0.00 -0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.68 1q3g h GLN 307 Cb 0.39 -0.01 -0.04 0.00 0.00 0.00 0.00 27.48 27.82 1q3g h GLN 307 CO 0.00 0.03 0.19 0.00 0.00 0.00 0.00 178.83 179.05 1q3g h ALA 308 N 1.02 0.49 -0.77 3.38 0.00 -1.85 0.71 119.26 122.24 1q3g h ALA 308 Ca 0.02 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1q3g h ALA 308 Cb -0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1q3g h ALA 308 CO -0.01 -0.18 0.48 1.96 0.00 0.00 0.00 179.25 181.51 1q3g h GLN 309 N 0.38 0.90 0.00 0.00 7.50 -1.79 -1.26 115.11 120.85 1q3g h GLN 309 Ca 0.17 -0.05 -0.01 0.00 0.50 0.00 0.00 58.65 59.26 1q3g h GLN 309 Cb 0.10 -0.20 -0.00 0.00 0.05 0.00 0.00 27.48 27.42 1q3g h GLN 309 CO -0.13 0.60 -0.02 0.74 -1.50 0.00 0.00 178.83 178.51 1q3g h PHE 310 N 0.93 0.00 -0.44 2.96 -1.00 -0.75 -2.38 116.94 116.26 1q3g h PHE 310 Ca 0.32 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 61.02 1q3g h PHE 310 Cb 0.05 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.60 1q3g h PHE 310 CO -0.04 0.02 -0.01 1.15 -1.61 0.00 0.00 178.31 177.83 1q3g h THR 311 N 0.00 1.26 0.20 -1.55 2.02 0.30 -1.62 112.91 113.52 1q3g h THR 311 Ca -0.00 -1.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.12 1q3g h THR 311 Cb 0.75 1.06 -0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1q3g h THR 311 CO 0.00 0.36 -0.12 0.25 0.37 0.00 0.00 175.52 176.39 1q3g h LEU 312 N 0.63 -0.29 -0.54 2.58 5.85 -1.09 -0.43 115.31 122.03 1q3g h LEU 312 Ca 0.12 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.97 1q3g h LEU 312 Cb 0.50 0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.53 1q3g h LEU 312 CO 0.02 -0.19 -0.02 0.25 -0.34 0.00 0.00 178.44 178.16 1q3g h LEU 313 N -0.30 -0.28 -0.82 2.25 6.46 -1.27 -0.22 115.31 121.14 1q3g h LEU 313 Ca -0.02 0.14 -0.06 0.00 -0.12 0.00 0.00 57.88 57.81 1q3g h LEU 313 Cb 0.25 0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.40 1q3g h LEU 313 CO 0.02 -0.10 0.18 0.78 -0.62 0.00 0.00 178.44 178.71 1q3g h ASN 314 N 0.09 1.00 0.24 1.25 2.35 -1.00 -1.95 115.58 117.58 1q3g h ASN 314 Ca 0.27 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1q3g h ASN 314 Cb 0.42 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1q3g h ASN 314 CO -0.47 0.95 0.00 -0.07 -1.65 0.00 0.00 177.43 176.19 1q3g h LEU 315 N 1.02 0.00 -2.96 1.61 3.38 0.68 -1.59 115.31 117.45 1q3g h LEU 315 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1q3g h LEU 315 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1q3g h LEU 315 CO -0.00 0.00 -0.02 1.33 0.09 0.00 0.00 178.44 179.84 1q3g n VAL 316 N -2.73 1.70 -2.94 1.22 0.24 -0.93 -1.41 118.33 113.48 1q3g n VAL 316 Ca -0.01 -2.02 -0.18 0.00 -2.04 0.00 0.00 64.34 60.09 1q3g n VAL 316 Cb 0.11 -0.11 0.02 0.00 -1.47 0.00 0.00 33.84 32.39 1q3g n VAL 316 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1q3g s ALA 317 N -2.52 4.41 -0.42 2.33 0.00 -0.60 -4.61 121.76 120.35 1q3g s ALA 317 Ca 0.27 -1.63 -0.25 0.00 0.00 0.00 0.00 51.96 50.35 1q3g s ALA 317 Cb 0.23 -1.71 0.02 0.00 0.00 0.00 0.00 23.12 21.66 1q3g s ALA 317 CO 0.02 -0.41 0.86 -2.00 0.00 0.00 0.00 175.76 174.24 1q3g s GLU 318 N -4.45 3.63 0.00 0.00 2.56 0.47 -3.79 118.70 117.12 1q3g s GLU 318 Ca 0.56 0.24 0.00 0.00 0.00 0.00 0.00 54.97 55.77 1q3g s GLU 318 Cb -0.10 -3.87 0.00 0.00 2.00 0.00 0.00 34.13 32.16 1q3g s GLU 318 CO 0.34 -1.05 0.00 0.41 -0.56 0.00 0.00 175.26 174.40 1q3g n GLY 319 N 4.73 -0.81 3.42 -1.50 0.00 -1.26 -1.35 105.19 108.42 1q3g n GLY 319 Ca 0.05 -2.22 -0.40 0.00 0.00 0.00 0.00 46.02 43.45 1q3g n GLY 319 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q3g s THR 320 N -0.31 4.77 -0.04 2.61 2.01 -1.26 -2.22 115.64 121.20 1q3g s THR 320 Ca 0.00 -0.64 -0.03 0.00 0.31 0.00 0.00 61.69 61.34 1q3g s THR 320 Cb 0.00 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 1q3g s THR 320 CO 0.00 -0.14 0.11 -0.83 -0.69 0.00 0.00 174.62 173.07 1q3g s GLY 321 N 1.61 2.07 -0.12 4.40 0.00 -0.46 -4.78 107.32 110.04 1q3g s GLY 321 Ca 0.04 -0.78 0.02 0.00 0.00 0.00 0.00 44.72 44.00 1q3g s GLY 321 CO 0.08 -0.62 -0.18 0.14 0.00 0.00 0.00 173.10 172.52 1q3g s VAL 322 N -1.15 1.70 -0.14 1.40 1.01 -1.15 0.30 120.40 122.37 1q3g s VAL 322 Ca 0.21 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.44 1q3g s VAL 322 Cb -0.12 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.74 1q3g s VAL 322 CO 0.11 0.48 -0.19 -0.63 0.00 0.00 0.00 175.10 174.87 1q3g s ILE 323 N 0.86 2.33 -0.20 2.22 1.01 -0.80 -0.59 121.20 126.03 1q3g s ILE 323 Ca -0.08 -0.89 -0.00 0.00 0.00 0.00 0.00 60.65 59.67 1q3g s ILE 323 Cb -0.15 -1.95 0.02 0.00 0.01 0.00 0.00 42.46 40.39 1q3g s ILE 323 CO -0.01 0.54 -0.15 -0.89 0.00 0.00 0.00 174.94 174.43 1q3g s THR 324 N 0.72 2.41 -0.26 2.92 2.01 0.87 -0.22 115.64 124.09 1q3g s THR 324 Ca -0.08 -0.91 -0.14 0.00 0.31 0.00 0.00 61.69 60.87 1q3g s THR 324 Cb -0.16 -2.08 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 1q3g s THR 324 CO 0.01 0.44 0.31 -0.70 -0.69 0.00 0.00 174.62 174.00 1q3g s GLU 325 N 1.32 4.02 0.00 4.92 2.56 -0.19 -1.00 118.70 130.34 1q3g s GLU 325 Ca 0.04 -0.05 0.06 0.00 0.00 0.00 0.00 54.97 55.02 1q3g s GLU 325 Cb -0.14 -3.63 0.07 0.00 2.00 0.00 0.00 34.13 32.43 1q3g s GLU 325 CO -0.10 -0.20 0.78 0.25 -0.56 0.00 0.00 175.26 175.43 1q3g n THR 326 N 4.94 0.18 -0.13 -1.70 -2.24 -1.26 -4.76 114.28 109.31 1q3g n THR 326 Ca -0.10 -0.59 -0.26 0.00 -2.27 0.00 0.00 64.05 60.83 1q3g n THR 326 Cb 0.51 1.02 -0.11 0.00 -2.10 0.00 0.00 70.33 69.65 1q3g n THR 326 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1q3g n ILE 327 N 0.30 1.53 -5.16 2.28 2.08 -1.26 -4.97 119.36 114.16 1q3g n ILE 327 Ca 0.04 -0.40 -0.32 0.00 0.56 0.00 0.00 62.75 62.63 1q3g n ILE 327 Cb 0.19 -1.80 -0.16 0.00 -0.75 0.00 0.00 39.64 37.12 1q3g n ILE 327 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 1q3g s PHE 328 N -2.50 2.54 0.43 1.39 0.40 -1.26 -5.03 117.98 113.95 1q3g s PHE 328 Ca -0.37 -0.78 0.24 0.00 -0.60 0.00 0.00 56.93 55.43 1q3g s PHE 328 Cb 0.13 -1.67 1.36 0.00 0.51 0.00 0.00 43.02 43.35 1q3g s PHE 328 CO 0.53 -0.25 2.06 1.05 0.70 0.00 0.00 175.22 179.31 1q3g h GLU 329 N 6.30 0.00 -2.00 0.44 9.09 -1.92 -3.32 114.58 123.16 1q3g h GLU 329 Ca -0.28 0.00 -0.54 0.00 0.05 0.00 0.00 59.36 58.60 1q3g h GLU 329 Cb 1.20 0.00 -0.41 0.00 -1.65 0.00 0.00 28.75 27.89 1q3g h GLU 329 CO 0.48 0.13 -0.88 -1.71 0.05 0.00 0.00 179.01 177.09 1q3g n ASN 330 N -3.80 3.08 -2.28 3.06 5.15 0.07 -4.90 115.26 115.63 1q3g n ASN 330 Ca -0.02 -3.39 -0.29 0.00 -0.60 0.00 0.00 54.58 50.28 1q3g n ASN 330 Cb 0.23 -0.57 0.03 0.00 -0.53 0.00 0.00 39.78 38.95 1q3g n ASN 330 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1q3g n ARG 331 N -0.09 3.27 -0.14 1.20 0.63 -1.25 -4.14 116.66 116.14 1q3g n ARG 331 Ca 0.28 -3.96 0.06 0.00 -0.92 0.00 0.00 57.85 53.31 1q3g n ARG 331 Cb 0.54 -2.28 0.09 0.00 0.45 0.00 0.00 32.46 31.27 1q3g n ARG 331 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1q3g n PHE 332 N -0.69 0.00 0.32 -0.14 0.99 -1.26 -4.80 117.46 111.88 1q3g n PHE 332 Ca 0.48 -0.70 0.21 0.00 -0.00 0.00 0.00 57.45 57.44 1q3g n PHE 332 Cb 0.75 -0.11 1.08 0.00 -1.00 0.00 0.00 39.48 40.20 1q3g n PHE 332 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.76 177.28 1q3g h MET 333 N 0.00 0.00 0.00 -1.08 2.86 -1.98 -1.75 114.93 112.97 1q3g h MET 333 Ca 0.00 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.51 1q3g h MET 333 Cb 1.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.65 1q3g h MET 333 CO 0.00 0.01 -0.61 1.12 1.06 0.00 0.00 176.91 178.49 1q3g h HIS 334 N 0.00 0.00 -0.15 -0.22 2.07 -1.94 -3.35 115.15 111.55 1q3g h HIS 334 Ca -0.00 0.00 0.05 0.00 -2.85 0.00 0.00 60.37 57.57 1q3g h HIS 334 Cb 0.11 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 30.03 1q3g h HIS 334 CO 0.00 0.61 -0.19 0.28 -3.07 0.00 0.00 177.93 175.56 1q3g h VAL 335 N 0.00 0.51 -0.07 6.12 2.07 -1.70 -0.64 116.25 122.55 1q3g h VAL 335 Ca -0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1q3g h VAL 335 Cb 1.29 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1q3g h VAL 335 CO 0.08 0.00 0.03 -0.65 0.02 0.00 0.00 177.57 177.05 1q3g h PRO 336 N -0.23 0.09 -0.12 1.57 0.11 -1.74 -1.05 132.00 130.64 1q3g h PRO 336 Ca 0.11 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.11 1q3g h PRO 336 Cb 0.38 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.47 1q3g h PRO 336 CO -0.28 0.08 -0.30 0.93 -0.21 0.00 0.00 178.00 178.21 1q3g h GLU 337 N 0.10 0.41 -0.02 1.05 4.39 -1.55 -3.02 114.58 115.93 1q3g h GLU 337 Ca 0.03 -0.28 -0.05 0.00 0.34 0.00 0.00 59.36 59.39 1q3g h GLU 337 Cb 0.01 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1q3g h GLU 337 CO -0.00 0.90 -0.22 -0.07 -1.16 0.00 0.00 179.01 178.45 1q3g h LEU 338 N -0.02 0.03 -1.45 1.33 3.38 -0.65 -1.33 115.31 116.60 1q3g h LEU 338 Ca -0.00 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1q3g h LEU 338 Cb 0.91 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1q3g h LEU 338 CO 0.06 0.26 -0.11 0.40 0.09 0.00 0.00 178.44 179.14 1q3g h ILE 339 N 0.03 1.16 0.00 1.22 2.04 -1.13 0.79 117.51 121.63 1q3g h ILE 339 Ca 0.00 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 1q3g h ILE 339 Cb 0.41 1.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1q3g h ILE 339 CO 0.03 0.22 -0.17 0.03 0.00 0.00 0.00 178.15 178.26 1q3g h ARG 340 N 0.22 0.00 -0.37 2.37 3.08 -1.12 -0.92 114.38 117.64 1q3g h ARG 340 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1q3g h ARG 340 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1q3g h ARG 340 CO 0.02 0.17 0.00 -1.33 -1.07 0.00 0.00 179.97 177.75 1q3g n MET 341 N -4.15 1.79 -0.16 0.04 2.81 0.22 -4.89 117.12 112.79 1q3g n MET 341 Ca -0.02 -1.07 0.00 0.00 -1.81 0.00 0.00 57.70 54.79 1q3g n MET 341 Cb 0.24 -1.31 0.00 0.00 -0.71 0.00 0.00 33.22 31.44 1q3g n MET 341 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1q3g n GLY 342 N 0.86 0.64 3.80 3.03 0.00 -0.35 -0.31 105.19 112.86 1q3g n GLY 342 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 1q3g n GLY 342 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q3g s ALA 343 N -2.26 2.81 -0.21 4.61 0.00 -0.90 -4.97 121.76 120.84 1q3g s ALA 343 Ca 0.00 0.57 -0.01 0.00 0.00 0.00 0.00 51.96 52.52 1q3g s ALA 343 Cb 0.00 -3.26 0.02 0.00 0.00 0.00 0.00 23.12 19.88 1q3g s ALA 343 CO 0.00 -0.52 -0.12 -1.01 0.00 0.00 0.00 175.76 174.11 1q3g s HIS 344 N -2.10 2.91 0.12 0.00 0.09 -1.26 -4.36 115.29 110.69 1q3g s HIS 344 Ca 0.67 -1.46 -0.24 0.00 -0.00 0.00 0.00 55.06 54.02 1q3g s HIS 344 Cb -0.17 -2.00 0.07 0.00 -0.00 0.00 0.00 32.58 30.48 1q3g s HIS 344 CO 0.26 -0.72 0.63 0.00 -0.00 0.00 0.00 174.74 174.91 1q3g s ALA 345 N 1.34 -1.64 -0.01 -1.40 0.00 -1.26 -1.39 121.76 117.41 1q3g s ALA 345 Ca 0.04 0.64 0.03 0.00 0.00 0.00 0.00 51.96 52.67 1q3g s ALA 345 Cb -0.14 0.73 -0.01 0.00 0.00 0.00 0.00 23.12 23.70 1q3g s ALA 345 CO -0.08 -0.71 -0.11 -1.21 0.00 0.00 0.00 175.76 173.65 1q3g s GLU 346 N -3.36 0.90 -0.17 0.00 8.01 -0.64 -4.97 118.70 118.48 1q3g s GLU 346 Ca -0.00 -0.39 -0.06 0.00 0.01 0.00 0.00 54.97 54.53 1q3g s GLU 346 Cb -0.01 -0.87 -0.04 0.00 -4.31 0.00 0.00 34.13 28.91 1q3g s GLU 346 CO -0.10 0.23 0.03 0.42 0.01 0.00 0.00 175.26 175.85 1q3g s ILE 347 N -0.22 4.55 -0.19 -1.63 1.01 -1.26 -0.39 121.20 123.07 1q3g s ILE 347 Ca 0.04 -0.12 -0.03 0.00 0.00 0.00 0.00 60.65 60.53 1q3g s ILE 347 Cb -0.05 -3.02 0.06 0.00 0.01 0.00 0.00 42.46 39.46 1q3g s ILE 347 CO -0.00 0.48 0.05 -0.70 0.00 0.00 0.00 174.94 174.77 1q3g s GLU 348 N 0.24 0.49 6.50 2.79 2.56 -0.63 -5.02 118.70 125.63 1q3g s GLU 348 Ca 0.02 -0.35 0.00 0.00 0.00 0.00 0.00 54.97 54.64 1q3g s GLU 348 Cb -0.13 -2.02 0.00 0.00 2.00 0.00 0.00 34.13 33.98 1q3g s GLU 348 CO 0.01 -0.67 0.00 0.45 -0.56 0.00 0.00 175.26 174.49 1q3g n SER 349 N 5.11 0.00 -2.05 -1.70 2.88 -1.26 -2.01 113.62 114.59 1q3g n SER 349 Ca -0.08 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.29 1q3g n SER 349 Cb 0.47 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 64.13 1q3g n SER 349 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1q3g n ASN 350 N 5.89 3.97 -3.90 -3.46 6.94 -1.26 -4.91 115.26 118.52 1q3g n ASN 350 Ca 0.00 -3.34 -0.11 0.00 -0.02 0.00 0.00 54.58 51.11 1q3g n ASN 350 Cb 0.00 -0.78 -0.13 0.00 -2.36 0.00 0.00 39.78 36.51 1q3g n ASN 350 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1q3g s THR 351 N -2.90 0.04 -0.17 5.53 -4.23 -0.85 -1.02 115.64 112.04 1q3g s THR 351 Ca 0.51 -0.35 -0.04 0.00 -1.18 0.00 0.00 61.69 60.62 1q3g s THR 351 Cb 0.42 -0.14 -0.03 0.00 1.34 0.00 0.00 72.50 74.09 1q3g s THR 351 CO 0.11 -0.19 -0.02 0.68 -0.54 0.00 0.00 174.62 174.65 1q3g s VAL 352 N -0.57 4.00 -0.34 2.29 -7.23 0.70 -1.61 120.40 117.63 1q3g s VAL 352 Ca -0.06 -0.31 -0.18 0.00 -1.81 0.00 0.00 61.98 59.61 1q3g s VAL 352 Cb -0.04 -2.77 -0.01 0.00 0.56 0.00 0.00 36.38 34.13 1q3g s VAL 352 CO -0.00 0.48 0.50 -0.63 -0.31 0.00 0.00 175.10 175.14 1q3g s ILE 353 N 0.46 5.03 -0.13 -0.62 -1.09 0.48 -1.91 121.20 123.42 1q3g s ILE 353 Ca -0.02 0.36 -0.07 0.00 -2.23 0.00 0.00 60.65 58.69 1q3g s ILE 353 Cb -0.14 -3.94 -0.04 0.00 -1.58 0.00 0.00 42.46 36.76 1q3g s ILE 353 CO 0.02 -0.18 0.10 0.00 -1.23 0.00 0.00 174.94 173.66 1q3g s HIS 355 N -0.59 2.84 0.42 0.00 3.76 -0.48 -1.36 115.29 119.89 1q3g s HIS 355 Ca 0.12 -2.95 -0.23 0.00 -0.15 0.00 0.00 55.06 51.85 1q3g s HIS 355 Cb -0.12 -2.55 -0.11 0.00 1.11 0.00 0.00 32.58 30.91 1q3g s HIS 355 CO 0.02 -0.76 0.81 0.41 -0.85 0.00 0.00 174.74 174.37 1q3g n GLY 356 N 3.27 -0.77 3.36 -2.22 0.00 -0.94 -4.16 105.19 103.73 1q3g n GLY 356 Ca 0.06 0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 1q3g n GLY 356 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1q3g s VAL 357 N -1.35 1.95 0.07 1.61 -7.23 -0.50 -4.73 120.40 110.21 1q3g s VAL 357 Ca 0.64 -2.05 -0.27 0.00 -1.81 0.00 0.00 61.98 58.49 1q3g s VAL 357 Cb -0.58 -1.97 -0.13 0.00 0.56 0.00 0.00 36.38 34.26 1q3g s VAL 357 CO 0.57 -0.36 1.42 -0.08 -0.31 0.00 0.00 175.10 176.34 1q3g h GLU 358 N 2.98 -0.70 -4.34 4.82 4.57 -1.89 -3.40 114.58 116.63 1q3g h GLU 358 Ca -0.42 0.05 -0.20 0.00 -1.18 0.00 0.00 59.36 57.61 1q3g h GLU 358 Cb 1.22 0.16 -0.19 0.00 -0.16 0.00 0.00 28.75 29.78 1q3g h GLU 358 CO 0.54 -0.47 -0.71 0.21 -1.18 0.00 0.00 179.01 177.41 1q3g s LYS 359 N -5.13 0.53 0.23 1.92 2.20 -1.26 -4.97 119.74 113.26 1q3g s LYS 359 Ca -0.13 -0.91 0.02 0.00 -0.36 0.00 0.00 55.97 54.60 1q3g s LYS 359 Cb 0.03 -0.06 -0.03 0.00 -1.51 0.00 0.00 37.83 36.26 1q3g s LYS 359 CO 0.45 -0.02 0.39 -0.51 -0.36 0.00 0.00 175.35 175.30 1q3g s LEU 360 N -2.06 4.25 -0.14 5.43 1.43 -1.26 -4.96 118.68 121.36 1q3g s LEU 360 Ca -0.05 0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 53.26 1q3g s LEU 360 Cb -0.04 -3.02 -0.03 0.00 0.03 0.00 0.00 46.19 43.13 1q3g s LEU 360 CO -0.03 -0.08 -0.04 -0.44 0.23 0.00 0.00 176.35 175.99 1q3g s SER 361 N -3.64 4.81 0.54 2.29 0.01 0.58 0.47 113.70 118.76 1q3g s SER 361 Ca 0.36 -0.09 -0.22 0.00 1.31 0.00 0.00 55.95 57.32 1q3g s SER 361 Cb -0.10 -1.66 -0.05 0.00 0.21 0.00 0.00 66.02 64.42 1q3g s SER 361 CO 0.30 0.22 1.35 0.61 0.41 0.00 0.00 173.24 176.13 1q3g n GLY 362 N 3.20 0.75 3.83 3.44 0.00 -0.61 -4.45 105.19 111.34 1q3g n GLY 362 Ca -0.18 0.03 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 1q3g n GLY 362 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q3g s ALA 363 N -1.29 -1.49 -0.32 4.61 0.00 -1.01 -4.76 121.76 117.50 1q3g s ALA 363 Ca 0.71 -0.23 -0.21 0.00 0.00 0.00 0.00 51.96 52.24 1q3g s ALA 363 Cb -0.42 0.71 -0.00 0.00 0.00 0.00 0.00 23.12 23.40 1q3g s ALA 363 CO 0.49 -1.05 0.68 -0.65 0.00 0.00 0.00 175.76 175.23 1q3g s GLN 364 N -2.63 3.84 0.32 0.00 -0.21 -1.26 -1.75 119.66 117.98 1q3g s GLN 364 Ca 0.17 0.29 0.07 0.00 0.02 0.00 0.00 55.36 55.92 1q3g s GLN 364 Cb -0.03 -3.76 -0.06 0.00 1.00 0.00 0.00 33.01 30.16 1q3g s GLN 364 CO 0.05 -0.66 -0.04 0.14 -2.12 0.00 0.00 175.29 172.66 1q3g s VAL 365 N 2.75 1.81 -0.12 1.09 -7.23 -0.14 -4.96 120.40 113.60 1q3g s VAL 365 Ca 0.27 -2.11 0.02 0.00 -1.81 0.00 0.00 61.98 58.34 1q3g s VAL 365 Cb -0.14 -2.64 0.01 0.00 0.56 0.00 0.00 36.38 34.17 1q3g s VAL 365 CO 0.13 -0.18 -0.16 -0.32 -0.31 0.00 0.00 175.10 174.26 1q3g s MET 366 N -3.71 2.33 0.31 4.82 1.75 -1.26 -1.22 119.30 122.32 1q3g s MET 366 Ca 0.32 -0.60 -0.29 0.00 -1.25 0.00 0.00 55.69 53.87 1q3g s MET 366 Cb 0.05 -1.98 -0.10 0.00 2.84 0.00 0.00 34.83 35.64 1q3g s MET 366 CO 0.15 -0.07 1.26 0.00 -0.65 0.00 0.00 175.02 175.71 1q3g s ALA 367 N 1.02 3.48 -0.02 4.11 0.00 -0.68 -4.92 121.76 124.75 1q3g s ALA 367 Ca -0.05 1.18 0.03 0.00 0.00 0.00 0.00 51.96 53.11 1q3g s ALA 367 Cb -0.15 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 1q3g s ALA 367 CO -0.03 -0.53 0.07 0.25 0.00 0.00 0.00 175.76 175.52 1q3g n THR 368 N 0.98 0.00 -3.81 0.00 -2.24 -1.26 -4.83 114.28 103.12 1q3g n THR 368 Ca 0.00 -0.11 -0.05 0.00 -2.27 0.00 0.00 64.05 61.62 1q3g n THR 368 Cb 0.42 0.51 -0.01 0.00 -2.10 0.00 0.00 70.33 69.15 1q3g n THR 368 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1q3g s ASP 369 N -2.18 -0.20 0.06 3.42 1.47 -1.26 -4.94 116.67 113.03 1q3g s ASP 369 Ca -0.01 -0.52 -0.15 0.00 1.18 0.00 0.00 52.55 53.05 1q3g s ASP 369 Cb 0.02 0.61 -0.05 0.00 -0.34 0.00 0.00 42.92 43.15 1q3g s ASP 369 CO 0.11 -1.12 1.25 0.25 0.68 0.00 0.00 175.17 176.34 1q3g h LEU 370 N 2.00 -0.88 -1.24 2.11 5.85 -1.99 -0.06 115.31 121.10 1q3g h LEU 370 Ca -0.22 0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.54 1q3g h LEU 370 Cb 1.24 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 42.62 1q3g h LEU 370 CO 0.25 -0.18 -0.38 0.03 -0.34 0.00 0.00 178.44 177.82 1q3g h ARG 371 N -0.17 0.00 -0.36 1.25 2.47 -1.91 -2.82 114.38 112.83 1q3g h ARG 371 Ca 0.04 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.68 1q3g h ARG 371 Cb 0.27 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.58 1q3g h ARG 371 CO -0.29 0.38 -0.09 0.00 0.56 0.00 0.00 179.97 180.53 1q3g h ALA 372 N 1.62 0.50 -0.66 0.04 0.00 -1.88 -1.89 119.26 117.00 1q3g h ALA 372 Ca -0.00 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 54.66 1q3g h ALA 372 Cb 0.68 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 1q3g h ALA 372 CO 0.05 0.35 0.36 0.66 0.00 0.00 0.00 179.25 180.67 1q3g h SER 373 N 0.49 0.53 -0.62 0.00 4.64 -0.77 0.12 113.55 117.94 1q3g h SER 373 Ca 0.09 0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.40 1q3g h SER 373 Cb 0.60 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.58 1q3g h SER 373 CO 0.04 0.34 0.24 0.00 -0.87 0.00 0.00 176.83 176.58 1q3g h ALA 374 N 1.35 1.20 -0.62 5.18 0.00 -1.39 -1.07 119.26 123.90 1q3g h ALA 374 Ca 0.30 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1q3g h ALA 374 Cb 0.19 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1q3g h ALA 374 CO -0.19 0.58 0.07 0.77 0.00 0.00 0.00 179.25 180.48 1q3g h SER 375 N 0.94 1.01 0.27 0.00 0.02 -0.27 -1.23 113.55 114.29 1q3g h SER 375 Ca 0.22 -0.27 -0.11 0.00 -0.84 0.00 0.00 61.79 60.78 1q3g h SER 375 Cb 0.22 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1q3g h SER 375 CO -0.02 1.03 -0.45 -0.07 -1.14 0.00 0.00 176.83 176.18 1q3g h LEU 376 N 0.95 0.24 -0.27 5.07 3.38 -0.42 -0.52 115.31 123.74 1q3g h LEU 376 Ca 0.18 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 1q3g h LEU 376 Cb 0.47 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1q3g h LEU 376 CO 0.02 0.67 -0.17 0.58 0.09 0.00 0.00 178.44 179.63 1q3g h VAL 377 N 0.19 1.30 -0.46 1.22 2.07 -0.91 -1.43 116.25 118.24 1q3g h VAL 377 Ca 0.01 -1.29 -0.05 0.00 0.82 0.00 0.00 66.70 66.19 1q3g h VAL 377 Cb 0.88 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 1q3g h VAL 377 CO 0.07 0.41 0.07 -0.07 0.02 0.00 0.00 177.57 178.07 1q3g h LEU 378 N 0.33 0.66 -0.58 2.57 3.38 -1.06 -2.12 115.31 118.49 1q3g h LEU 378 Ca 0.06 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1q3g h LEU 378 Cb 0.70 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1q3g h LEU 378 CO 0.05 0.68 0.37 0.00 0.09 0.00 0.00 178.44 179.63 1q3g h ALA 379 N 1.40 0.73 -0.67 1.53 0.00 -0.81 -1.63 119.26 119.82 1q3g h ALA 379 Ca 0.15 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1q3g h ALA 379 Cb 0.31 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1q3g h ALA 379 CO 0.00 0.18 0.44 0.78 0.00 0.00 0.00 179.25 180.66 1q3g h GLY 380 N 0.78 0.93 1.62 0.00 0.00 -0.65 0.11 103.07 105.86 1q3g h GLY 380 Ca 0.21 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 1q3g h GLY 380 CO -0.04 0.32 0.09 0.00 0.00 0.00 0.00 176.54 176.90 1q3g n ILE 382 N -4.35 0.00 -1.95 0.00 -5.35 -0.89 -0.68 119.36 106.14 1q3g n ILE 382 Ca 0.02 -0.32 -0.32 0.00 -0.27 0.00 0.00 62.75 61.86 1q3g n ILE 382 Cb 0.18 1.17 0.01 0.00 -1.74 0.00 0.00 39.64 39.26 1q3g n ILE 382 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1q3g s ALA 383 N -1.94 2.82 -0.40 -1.28 0.00 0.33 -4.54 121.76 116.75 1q3g s ALA 383 Ca 0.13 0.21 -0.25 0.00 0.00 0.00 0.00 51.96 52.05 1q3g s ALA 383 Cb 0.13 -3.18 0.02 0.00 0.00 0.00 0.00 23.12 20.09 1q3g s ALA 383 CO 0.42 -0.81 0.90 -2.00 0.00 0.00 0.00 175.76 174.27 1q3g s GLU 384 N -4.47 3.71 0.00 0.00 2.56 0.18 -2.07 118.70 118.61 1q3g s GLU 384 Ca 0.60 0.37 0.00 0.00 0.00 0.00 0.00 54.97 55.95 1q3g s GLU 384 Cb -0.14 -3.85 0.00 0.00 2.00 0.00 0.00 34.13 32.14 1q3g s GLU 384 CO 0.43 -1.04 0.00 0.41 -0.56 0.00 0.00 175.26 174.50 1q3g n GLY 385 N 4.61 -0.08 3.67 -1.50 0.00 -0.39 -1.57 105.19 109.93 1q3g n GLY 385 Ca 0.06 -2.05 -0.35 0.00 0.00 0.00 0.00 46.02 43.68 1q3g n GLY 385 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q3g s THR 386 N 0.00 4.96 -0.02 2.61 2.01 -1.26 -0.89 115.64 123.05 1q3g s THR 386 Ca 0.00 0.03 0.08 0.00 0.31 0.00 0.00 61.69 62.10 1q3g s THR 386 Cb 0.00 -3.24 -0.02 0.00 0.01 0.00 0.00 72.50 69.25 1q3g s THR 386 CO 0.00 0.46 -0.25 -0.89 -0.69 0.00 0.00 174.62 173.25 1q3g s THR 387 N 0.31 1.97 -0.23 -0.82 2.01 0.44 -2.41 115.64 116.91 1q3g s THR 387 Ca 0.05 -1.07 0.02 0.00 0.31 0.00 0.00 61.69 61.00 1q3g s THR 387 Cb -0.12 -1.64 0.05 0.00 0.01 0.00 0.00 72.50 70.80 1q3g s THR 387 CO -0.00 0.56 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.68 1q3g s VAL 388 N -0.57 1.89 -0.46 3.82 1.01 -0.71 0.06 120.40 125.43 1q3g s VAL 388 Ca 0.09 -1.27 -0.16 0.00 0.00 0.00 0.00 61.98 60.63 1q3g s VAL 388 Cb -0.10 -1.97 0.05 0.00 0.00 0.00 0.00 36.38 34.37 1q3g s VAL 388 CO -0.01 0.10 0.42 -0.69 0.00 0.00 0.00 175.10 174.93 1q3g s VAL 389 N 1.27 5.15 0.50 2.92 1.01 -0.17 -0.96 120.40 130.12 1q3g s VAL 389 Ca -0.04 -0.76 -0.15 0.00 0.00 0.00 0.00 61.98 61.03 1q3g s VAL 389 Cb -0.18 -4.10 -0.07 0.00 0.00 0.00 0.00 36.38 32.03 1q3g s VAL 389 CO -0.07 -0.53 0.95 -0.62 0.00 0.00 0.00 175.10 174.83 1q3g s ASP 390 N 2.28 6.59 -1.27 3.32 2.15 -0.36 -1.61 116.67 127.77 1q3g s ASP 390 Ca 0.07 1.49 -0.03 0.00 0.43 0.00 0.00 52.55 54.52 1q3g s ASP 390 Cb -0.21 -2.48 0.00 0.00 -0.30 0.00 0.00 42.92 39.94 1q3g s ASP 390 CO 0.09 -0.57 0.37 0.54 -0.17 0.00 0.00 175.17 175.43 1q3g n ARG 391 N -1.59 -3.27 0.00 4.34 1.74 -1.17 -1.68 116.66 115.04 1q3g n ARG 391 Ca 0.06 0.74 0.03 0.00 -0.77 0.00 0.00 57.85 57.91 1q3g n ARG 391 Cb 0.54 -5.19 0.18 0.00 -1.02 0.00 0.00 32.46 26.98 1q3g n ARG 391 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 1q3g n ILE 392 N -4.19 0.00 0.10 0.55 -6.64 -1.21 -2.38 119.36 105.59 1q3g n ILE 392 Ca -0.12 0.00 0.16 0.00 -1.77 0.00 0.00 62.75 61.02 1q3g n ILE 392 Cb 0.61 -0.88 0.68 0.00 -1.44 0.00 0.00 39.64 38.61 1q3g n ILE 392 CO 0.00 0.00 0.00 0.10 -1.77 0.00 0.00 176.55 174.88 1q3g h TYR 393 N 0.00 0.00 -0.85 4.28 -0.00 -1.90 0.14 116.97 118.64 1q3g h TYR 393 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 58.73 58.83 1q3g h TYR 393 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 36.73 36.65 1q3g h TYR 393 CO 0.00 0.00 0.49 0.45 -0.00 0.00 0.00 178.16 179.10 1q3g h HIS 394 N 0.00 0.88 0.00 0.10 3.86 -1.84 -1.26 115.15 116.89 1q3g h HIS 394 Ca 0.16 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.34 1q3g h HIS 394 Cb 0.65 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 1q3g h HIS 394 CO 0.00 0.34 -0.29 0.97 0.86 0.00 0.00 177.93 179.81 1q3g h ILE 395 N 0.79 1.17 0.00 2.45 2.10 -0.97 -2.37 117.51 120.68 1q3g h ILE 395 Ca 0.42 -1.02 0.00 0.00 1.08 0.00 0.00 64.86 65.34 1q3g h ILE 395 Cb 0.42 1.55 0.00 0.00 -1.09 0.00 0.00 36.82 37.70 1q3g h ILE 395 CO -0.26 0.29 0.00 0.47 -1.08 0.00 0.00 178.15 177.56 1q3g n ASP 396 N -4.13 0.21 0.00 2.19 8.00 -0.48 -1.86 116.55 120.49 1q3g n ASP 396 Ca -0.02 0.56 -0.18 0.00 0.71 0.00 0.00 54.79 55.86 1q3g n ASP 396 Cb 0.34 -0.60 -0.07 0.00 -0.02 0.00 0.00 41.12 40.77 1q3g n ASP 396 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1q3g h ARG 397 N 0.00 0.74 0.00 -1.24 3.08 -1.44 -2.22 114.38 113.30 1q3g h ARG 397 Ca 0.00 -0.66 0.00 0.00 0.07 0.00 0.00 59.98 59.39 1q3g h ARG 397 Cb 0.26 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1q3g h ARG 397 CO 0.00 1.26 0.00 0.41 -1.07 0.00 0.00 179.97 180.57 1q3g n GLY 398 N 0.81 0.49 2.96 0.04 0.00 -1.12 -4.02 105.19 104.35 1q3g n GLY 398 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 1q3g n GLY 398 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1q3g s TYR 399 N -0.44 1.78 -0.29 1.61 1.51 -0.77 -4.90 117.35 115.85 1q3g s TYR 399 Ca 0.00 -0.94 -0.29 0.00 -1.01 0.00 0.00 57.07 54.83 1q3g s TYR 399 Cb 0.00 -1.38 0.01 0.00 -0.11 0.00 0.00 41.96 40.48 1q3g s TYR 399 CO 0.00 -0.57 1.10 -2.00 -1.11 0.00 0.00 175.55 172.97 1q3g s GLU 400 N 1.56 4.09 -1.01 -0.62 2.12 -1.26 -4.18 118.70 119.40 1q3g s GLU 400 Ca 0.04 1.17 -0.28 0.00 0.36 0.00 0.00 54.97 56.26 1q3g s GLU 400 Cb -0.13 -3.74 0.04 0.00 0.26 0.00 0.00 34.13 30.57 1q3g s GLU 400 CO -0.09 -0.87 0.54 2.89 -0.54 0.00 0.00 175.26 177.19 1q3g n ARG 401 N 6.81 -0.36 0.16 4.30 1.85 -1.26 -4.85 116.66 123.30 1q3g n ARG 401 Ca 0.12 -0.05 0.03 0.00 -1.00 0.00 0.00 57.85 56.96 1q3g n ARG 401 Cb 0.47 -1.87 0.42 0.00 -1.05 0.00 0.00 32.46 30.43 1q3g n ARG 401 CO 0.00 0.00 0.00 0.97 -0.01 0.00 0.00 177.63 178.59 1q3g h ILE 402 N -1.64 1.17 -0.68 8.89 2.10 -1.95 -2.60 117.51 122.80 1q3g h ILE 402 Ca -0.59 -0.77 -0.08 0.00 1.08 0.00 0.00 64.86 64.50 1q3g h ILE 402 Cb 1.16 1.29 -0.03 0.00 -1.09 0.00 0.00 36.82 38.15 1q3g h ILE 402 CO 0.43 0.23 0.10 1.05 -1.08 0.00 0.00 178.15 178.89 1q3g h GLU 403 N 0.13 1.12 -0.02 2.19 9.09 -1.95 0.97 114.58 126.12 1q3g h GLU 403 Ca 0.03 -0.31 -0.00 0.00 0.05 0.00 0.00 59.36 59.13 1q3g h GLU 403 Cb 0.38 -0.13 -0.00 0.00 -1.65 0.00 0.00 28.75 27.35 1q3g h GLU 403 CO 0.02 1.03 0.00 -0.44 0.05 0.00 0.00 179.01 179.68 1q3g h ASP 404 N 1.05 0.02 -0.90 3.06 3.45 -1.87 0.66 116.42 121.90 1q3g h ASP 404 Ca 0.20 -0.22 0.01 0.00 0.43 0.00 0.00 57.03 57.45 1q3g h ASP 404 Cb 0.46 -0.01 -0.05 0.00 -0.56 0.00 0.00 39.33 39.17 1q3g h ASP 404 CO 0.01 0.24 0.59 0.11 -1.57 0.00 0.00 179.24 178.63 1q3g h LYS 405 N -0.20 1.17 -0.44 3.56 1.57 -1.35 -0.05 116.57 120.85 1q3g h LYS 405 Ca 0.00 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.58 1q3g h LYS 405 Cb 0.23 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1q3g h LYS 405 CO 0.00 0.78 -0.26 -0.07 -0.57 0.00 0.00 179.45 179.33 1q3g h LEU 406 N 1.21 0.98 -0.49 2.94 3.38 -0.72 -3.00 115.31 119.62 1q3g h LEU 406 Ca 0.33 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1q3g h LEU 406 Cb -0.13 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.32 1q3g h LEU 406 CO -0.07 1.19 0.28 -0.09 0.09 0.00 0.00 178.44 179.83 1q3g h ARG 407 N 0.78 0.67 0.00 1.13 2.43 -0.37 -0.12 114.38 118.90 1q3g h ARG 407 Ca 0.09 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1q3g h ARG 407 Cb 0.84 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 1q3g h ARG 407 CO 0.07 0.51 0.00 0.00 -1.51 0.00 0.00 179.97 179.04 1q3g n ALA 408 N -2.27 1.16 0.31 2.80 0.00 -0.07 -0.31 120.51 122.13 1q3g n ALA 408 Ca 0.02 -0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.53 1q3g n ALA 408 Cb 0.07 -1.02 0.13 0.00 0.00 0.00 0.00 19.45 18.62 1q3g n ALA 408 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1q3g n LEU 409 N -1.41 2.74 0.00 0.00 4.77 -0.12 -4.72 117.00 118.26 1q3g n LEU 409 Ca 0.00 -1.39 0.00 0.00 -0.03 0.00 0.00 56.01 54.59 1q3g n LEU 409 Cb 0.01 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1q3g n LEU 409 CO 0.01 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1q3g n GLY 410 N 0.94 0.97 3.78 -0.72 0.00 0.58 -0.79 105.19 109.95 1q3g n GLY 410 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1q3g n GLY 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q3g s ALA 411 N -2.00 3.14 -0.77 4.61 0.00 -0.84 -4.76 121.76 121.14 1q3g s ALA 411 Ca 0.00 0.65 -0.09 0.00 0.00 0.00 0.00 51.96 52.52 1q3g s ALA 411 Cb 0.00 -3.24 0.20 0.00 0.00 0.00 0.00 23.12 20.08 1q3g s ALA 411 CO 0.00 -0.08 0.67 1.21 0.00 0.00 0.00 175.76 177.56 1q3g s ASN 412 N -1.56 6.18 0.05 0.00 3.84 -1.26 -4.45 114.94 117.74 1q3g s ASN 412 Ca 0.55 -2.86 0.03 0.00 0.21 0.00 0.00 52.86 50.78 1q3g s ASN 412 Cb -0.21 -2.06 -0.02 0.00 -0.55 0.00 0.00 41.25 38.40 1q3g s ASN 412 CO 0.27 -0.46 -0.10 -0.51 -2.79 0.00 0.00 177.10 173.51 1q3g s ILE 413 N -0.09 0.72 -0.16 -5.21 2.07 -1.26 -0.28 121.20 116.99 1q3g s ILE 413 Ca 0.19 -1.10 -0.16 0.00 -1.41 0.00 0.00 60.65 58.18 1q3g s ILE 413 Cb -0.14 -0.74 0.04 0.00 0.13 0.00 0.00 42.46 41.75 1q3g s ILE 413 CO -0.07 -0.30 0.44 -0.70 -1.91 0.00 0.00 174.94 172.41 1q3g s GLU 414 N -1.53 0.53 -0.48 3.50 2.56 -0.61 -4.98 118.70 117.68 1q3g s GLU 414 Ca -0.07 0.60 -0.19 0.00 0.00 0.00 0.00 54.97 55.31 1q3g s GLU 414 Cb -0.10 0.26 0.04 0.00 2.00 0.00 0.00 34.13 36.33 1q3g s GLU 414 CO 0.01 -0.07 0.60 0.50 -0.56 0.00 0.00 175.26 175.74 1q3g s ARG 415 N 0.19 3.15 -0.26 4.30 3.52 -1.26 -0.05 118.95 128.55 1q3g s ARG 415 Ca -0.00 -0.74 -0.23 0.00 -0.13 0.00 0.00 55.73 54.63 1q3g s ARG 415 Cb -0.03 -4.04 -0.01 0.00 -1.56 0.00 0.00 34.95 29.31 1q3g s ARG 415 CO 0.01 -1.11 0.74 0.14 -0.81 0.00 0.00 175.30 174.27 1q3g s VAL 416 N 2.59 4.89 0.96 7.11 -7.23 0.21 -4.90 120.40 124.04 1q3g s VAL 416 Ca 0.16 1.31 -0.11 0.00 -1.81 0.00 0.00 61.98 61.54 1q3g s VAL 416 Cb -0.18 -4.05 0.17 0.00 0.56 0.00 0.00 36.38 32.89 1q3g s VAL 416 CO 0.14 -0.07 1.12 -0.54 -0.31 0.00 0.00 175.10 175.44 1q3g s LYS 417 N 2.72 0.65 0.00 4.82 -0.14 -1.26 -1.74 119.74 124.79 1q3g s LYS 417 Ca 0.31 1.38 0.00 0.00 -1.36 0.00 0.00 55.97 56.29 1q3g s LYS 417 Cb -0.15 -1.70 0.00 0.00 -1.68 0.00 0.00 37.83 34.30 1q3g s LYS 417 CO 0.09 -2.83 0.00 0.41 -0.76 0.00 0.00 175.35 172.26 1q3g n GLY 418 N 0.26 0.00 2.40 -3.33 0.00 -1.26 -4.75 105.19 98.51 1q3g n GLY 418 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1q3g n GLY 418 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50