#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 0.80 -4.13 6.12 9.92 -1.26 -0.86 116.55 127.14 1q3g n ASP 2 Ca 0.00 0.81 -0.10 0.00 -0.53 0.00 0.00 54.79 54.97 1q3g n ASP 2 Cb 0.00 -1.39 -0.09 0.00 -0.64 0.00 0.00 41.12 39.00 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 -2.74 1.12 -0.12 -1.24 1.02 -0.70 -2.87 119.74 114.21 1q3g s LYS 3 Ca 0.75 -1.46 0.02 0.00 0.02 0.00 0.00 55.97 55.31 1q3g s LYS 3 Cb -0.42 0.29 -0.00 0.00 -0.52 0.00 0.00 37.83 37.18 1q3g s LYS 3 CO 0.47 -0.37 -0.19 -0.06 -0.92 0.00 0.00 175.35 174.28 1q3g s PHE 4 N -4.08 2.68 -0.27 3.18 2.99 -0.69 -0.22 117.98 121.58 1q3g s PHE 4 Ca 0.29 -1.00 -0.08 0.00 0.00 0.00 0.00 56.93 56.13 1q3g s PHE 4 Cb 0.06 -1.80 -0.02 0.00 0.00 0.00 0.00 43.02 41.26 1q3g s PHE 4 CO 0.06 -0.42 0.10 0.50 -0.00 0.00 0.00 175.22 175.47 1q3g s ARG 5 N 0.52 3.59 -0.06 0.44 3.52 0.96 -1.01 118.95 126.92 1q3g s ARG 5 Ca -0.12 -0.53 0.06 0.00 -0.13 0.00 0.00 55.73 55.01 1q3g s ARG 5 Cb -0.17 -3.41 -0.01 0.00 -1.56 0.00 0.00 34.95 29.80 1q3g s ARG 5 CO 0.05 -0.25 -0.23 0.08 -0.81 0.00 0.00 175.30 174.14 1q3g s VAL 6 N 1.63 1.91 -0.10 7.11 1.01 0.84 -1.16 120.40 131.63 1q3g s VAL 6 Ca 0.06 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.08 1q3g s VAL 6 Cb -0.16 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.59 1q3g s VAL 6 CO 0.05 0.53 -0.19 -1.10 0.00 0.00 0.00 175.10 174.39 1q3g s GLN 7 N -0.10 3.00 0.29 2.72 -0.21 -0.03 0.31 119.66 125.64 1q3g s GLN 7 Ca -0.04 -0.79 0.07 0.00 0.02 0.00 0.00 55.36 54.61 1q3g s GLN 7 Cb -0.13 -2.40 -0.02 0.00 1.00 0.00 0.00 33.01 31.45 1q3g s GLN 7 CO 0.04 0.29 0.24 0.41 -2.12 0.00 0.00 175.29 174.14 1q3g n GLY 8 N 3.26 3.08 3.84 3.09 0.00 0.32 -4.15 105.19 114.61 1q3g n GLY 8 Ca -0.18 -1.87 -0.33 0.00 0.00 0.00 0.00 46.02 43.64 1q3g n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1q3g s PRO 9 N -3.18 4.08 -0.06 1.61 0.04 -0.75 -1.53 135.00 135.21 1q3g s PRO 9 Ca 0.34 0.86 -0.02 0.00 0.04 0.00 0.00 61.00 62.21 1q3g s PRO 9 Cb 0.02 -2.31 0.04 0.00 0.04 0.00 0.00 34.50 32.28 1q3g s PRO 9 CO 0.24 0.05 0.12 0.95 0.04 0.00 0.00 177.00 178.40 1q3g s THR 10 N -2.11 -0.12 -0.17 1.26 -4.23 0.00 -4.99 115.64 105.28 1q3g s THR 10 Ca 0.57 0.27 -0.29 0.00 -1.18 0.00 0.00 61.69 61.06 1q3g s THR 10 Cb -0.10 -0.22 -0.02 0.00 1.34 0.00 0.00 72.50 73.51 1q3g s THR 10 CO 0.17 0.11 1.31 -0.60 -0.54 0.00 0.00 174.62 175.07 1q3g s ARG 11 N 1.62 4.19 -0.08 3.99 3.52 -1.26 -4.58 118.95 126.35 1q3g s ARG 11 Ca -0.04 1.67 -0.25 0.00 -0.13 0.00 0.00 55.73 56.98 1q3g s ARG 11 Cb -0.12 -3.80 -0.03 0.00 -1.56 0.00 0.00 34.95 29.44 1q3g s ARG 11 CO -0.05 -0.77 0.80 -0.51 -0.81 0.00 0.00 175.30 173.96 1q3g s LEU 12 N 3.66 4.28 0.11 -0.88 1.43 -1.26 -4.73 118.68 121.30 1q3g s LEU 12 Ca 0.57 1.28 -0.26 0.00 -1.03 0.00 0.00 54.13 54.69 1q3g s LEU 12 Cb -0.22 -3.23 0.07 0.00 0.03 0.00 0.00 46.19 42.84 1q3g s LEU 12 CO 0.17 -0.23 0.88 0.00 0.23 0.00 0.00 176.35 177.40 1q3g s GLN 13 N 1.26 1.13 0.00 1.70 -2.07 -0.05 -3.81 119.66 117.83 1q3g s GLN 13 Ca 0.41 -0.56 0.00 0.00 -1.82 0.00 0.00 55.36 53.39 1q3g s GLN 13 Cb -0.18 0.43 0.00 0.00 -1.09 0.00 0.00 33.01 32.17 1q3g s GLN 13 CO 0.18 -0.51 0.00 0.41 -1.32 0.00 0.00 175.29 174.05 1q3g n GLY 14 N -0.39 0.14 3.19 2.60 0.00 -0.68 -4.28 105.19 105.76 1q3g n GLY 14 Ca -0.08 -1.59 -0.12 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.21 0.88 -0.09 1.61 2.02 -1.26 -1.58 118.70 120.07 1q3g s GLU 15 Ca 0.00 -1.30 -0.15 0.00 0.02 0.00 0.00 54.97 53.54 1q3g s GLU 15 Cb 0.00 -0.39 0.03 0.00 0.10 0.00 0.00 34.13 33.88 1q3g s GLU 15 CO 0.00 0.03 0.38 0.54 0.02 0.00 0.00 175.26 176.23 1q3g s VAL 16 N -3.19 0.02 -0.26 2.63 0.11 -0.86 -4.82 120.40 114.03 1q3g s VAL 16 Ca 0.11 -0.19 -0.07 0.00 -2.93 0.00 0.00 61.98 58.89 1q3g s VAL 16 Cb 0.02 -0.61 -0.02 0.00 -1.53 0.00 0.00 36.38 34.25 1q3g s VAL 16 CO -0.02 -0.11 0.07 -0.89 -3.33 0.00 0.00 175.10 170.83 1q3g s THR 17 N -0.51 4.22 0.24 5.04 2.01 -1.26 -0.33 115.64 125.06 1q3g s THR 17 Ca -0.06 -0.31 -0.30 0.00 0.31 0.00 0.00 61.69 61.33 1q3g s THR 17 Cb -0.04 -3.03 -0.09 0.00 0.01 0.00 0.00 72.50 69.35 1q3g s THR 17 CO 0.03 0.27 1.33 -0.63 -0.69 0.00 0.00 174.62 174.92 1q3g s ILE 18 N 1.59 3.01 0.78 1.82 -1.09 -0.14 -4.94 121.20 122.22 1q3g s ILE 18 Ca 0.05 0.87 -0.07 0.00 -2.23 0.00 0.00 60.65 59.28 1q3g s ILE 18 Cb -0.16 -3.56 0.13 0.00 -1.58 0.00 0.00 42.46 37.29 1q3g s ILE 18 CO 0.03 0.15 1.08 -0.44 -1.23 0.00 0.00 174.94 174.54 1q3g s SER 19 N 0.11 4.15 0.62 3.58 0.01 -1.26 -4.81 113.70 116.10 1q3g s SER 19 Ca 0.55 0.05 -0.19 0.00 1.31 0.00 0.00 55.95 57.67 1q3g s SER 19 Cb -0.38 -0.42 -0.02 0.00 0.21 0.00 0.00 66.02 65.41 1q3g s SER 19 CO 0.42 -2.01 1.28 -0.83 0.41 0.00 0.00 173.24 172.51 1q3g s GLY 20 N -4.71 2.83 0.01 3.44 0.00 -1.19 -1.48 107.32 106.22 1q3g s GLY 20 Ca 0.66 1.17 -0.30 0.00 0.00 0.00 0.00 44.72 46.26 1q3g s GLY 20 CO 0.47 1.60 1.65 0.00 0.00 0.00 0.00 173.10 176.82 1q3g s ALA 21 N -1.43 3.64 0.17 3.20 0.00 0.39 -4.34 121.76 123.39 1q3g s ALA 21 Ca 0.80 1.07 -0.14 0.00 0.00 0.00 0.00 51.96 53.68 1q3g s ALA 21 Cb -0.36 -3.72 0.10 0.00 0.00 0.00 0.00 23.12 19.14 1q3g s ALA 21 CO 0.39 -1.24 1.80 -0.22 0.00 0.00 0.00 175.76 176.49 1q3g h LYS 22 N 8.93 0.51 -0.25 0.00 3.64 -1.90 -1.07 116.57 126.42 1q3g h LYS 22 Ca -0.41 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1q3g h LYS 22 Cb 1.19 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1q3g h LYS 22 CO 0.94 0.34 0.00 0.09 -2.27 0.00 0.00 179.45 178.55 1q3g n ASN 23 N -4.85 0.33 -0.02 4.20 3.02 -1.26 -2.00 115.26 114.68 1q3g n ASN 23 Ca 0.03 -2.00 -0.02 0.00 -0.03 0.00 0.00 54.58 52.55 1q3g n ASN 23 Cb 0.09 -0.13 -0.01 0.00 -0.61 0.00 0.00 39.78 39.12 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 -0.34 2.04 -0.15 5.41 0.00 -0.95 -4.48 120.51 122.03 1q3g n ALA 24 Ca 0.01 -0.14 -0.08 0.00 0.00 0.00 0.00 53.44 53.23 1q3g n ALA 24 Cb 0.07 0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.02 0.56 0.56 0.00 0.00 -1.12 -1.75 119.26 117.49 1q3g h ALA 25 Ca -0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1q3g h ALA 25 Cb 1.11 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.73 1q3g h ALA 25 CO -0.02 0.08 -0.27 -0.07 0.00 0.00 0.00 179.25 178.98 1q3g h LEU 26 N 0.57 -0.64 -1.54 0.00 3.38 -1.65 0.16 115.31 115.60 1q3g h LEU 26 Ca 0.15 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 1q3g h LEU 26 Cb 0.05 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1q3g h LEU 26 CO -0.03 -0.45 -0.16 1.55 0.09 0.00 0.00 178.44 179.44 1q3g h PRO 27 N -0.75 0.10 -0.30 1.13 0.13 -1.78 -2.32 132.00 128.20 1q3g h PRO 27 Ca -0.08 -0.02 -0.18 0.00 -0.87 0.00 0.00 66.00 64.86 1q3g h PRO 27 Cb 0.58 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.69 1q3g h PRO 27 CO 0.13 0.26 -0.51 0.82 -0.23 0.00 0.00 178.00 178.47 1q3g h ILE 28 N 0.09 1.28 -0.83 -3.56 2.04 -1.10 -0.99 117.51 114.44 1q3g h ILE 28 Ca 0.02 -1.69 -0.03 0.00 1.00 0.00 0.00 64.86 64.15 1q3g h ILE 28 Cb 0.35 1.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 1q3g h ILE 28 CO 0.02 0.55 0.39 -0.07 0.00 0.00 0.00 178.15 179.05 1q3g h LEU 29 N 0.67 1.08 -0.48 1.44 3.38 -0.26 -1.54 115.31 119.61 1q3g h LEU 29 Ca 0.03 -0.13 -0.17 0.00 0.09 0.00 0.00 57.88 57.69 1q3g h LEU 29 Cb 1.11 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1q3g h LEU 29 CO 0.11 0.92 -0.73 -0.26 0.09 0.00 0.00 178.44 178.57 1q3g h PHE 30 N 1.18 0.32 0.00 1.13 -1.00 -1.36 -2.80 116.94 114.41 1q3g h PHE 30 Ca 0.28 -0.15 -0.02 0.00 2.81 0.00 0.00 57.97 60.90 1q3g h PHE 30 Cb 0.13 -0.05 -0.00 0.00 3.61 0.00 0.00 35.95 39.64 1q3g h PHE 30 CO 0.02 0.88 -0.08 0.00 -1.61 0.00 0.00 178.31 177.51 1q3g h ALA 31 N 1.08 1.55 0.00 2.45 0.00 -0.55 -1.26 119.26 122.53 1q3g h ALA 31 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1q3g h ALA 31 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1q3g h ALA 31 CO 0.11 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.47 1q3g h ALA 32 N 1.92 1.00 0.00 0.00 0.00 -1.02 -0.40 119.26 120.77 1q3g h ALA 32 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1q3g h ALA 32 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1q3g h ALA 32 CO 0.01 0.00 0.00 -0.07 0.00 0.00 0.00 179.25 179.19 1q3g h LEU 33 N 0.00 0.00 0.00 0.00 3.38 -1.37 -0.55 115.31 116.77 1q3g h LEU 33 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1q3g h LEU 33 Cb 0.09 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 -0.61 -0.07 0.09 0.00 0.00 178.44 177.85 1q3g h LEU 34 N 0.00 0.00 -9.49 1.67 3.38 -1.27 -3.47 115.31 106.14 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 0.09 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.85 1q3g h LEU 34 CO 0.00 0.29 0.68 0.00 0.09 0.00 0.00 178.44 179.51 1q3g s ALA 35 N -3.09 3.52 -0.26 1.53 0.00 -0.22 -4.26 121.76 118.97 1q3g s ALA 35 Ca 0.03 0.97 0.23 0.00 0.00 0.00 0.00 51.96 53.18 1q3g s ALA 35 Cb 0.07 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1q3g s ALA 35 CO 0.74 -0.61 1.03 0.39 0.00 0.00 0.00 175.76 177.32 1q3g n GLU 36 N 4.23 0.58 -4.56 0.00 1.02 -0.48 -4.31 120.64 117.13 1q3g n GLU 36 Ca 0.11 0.10 -0.29 0.00 -0.02 0.00 0.00 57.16 57.06 1q3g n GLU 36 Cb 0.44 -1.80 -0.13 0.00 -0.02 0.00 0.00 31.44 29.93 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 -3.36 1.56 0.37 3.49 2.02 -1.04 -4.14 118.70 117.60 1q3g s GLU 37 Ca -0.00 -1.26 -0.22 0.00 0.02 0.00 0.00 54.97 53.51 1q3g s GLU 37 Cb 0.10 -1.94 -0.15 0.00 0.10 0.00 0.00 34.13 32.24 1q3g s GLU 37 CO 0.79 0.47 0.13 -2.30 0.02 0.00 0.00 175.26 174.38 1q3g n PRO 38 N 1.19 0.00 -4.09 0.39 -0.02 -1.26 -3.86 135.00 127.35 1q3g n PRO 38 Ca -0.18 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.16 1q3g n PRO 38 Cb 0.53 -0.98 -0.11 0.00 -0.02 0.00 0.00 33.50 32.91 1q3g n PRO 38 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1q3g s VAL 39 N -1.56 0.67 -0.14 -1.45 -7.23 0.12 -2.60 120.40 108.20 1q3g s VAL 39 Ca 0.59 -1.17 0.00 0.00 -1.81 0.00 0.00 61.98 59.59 1q3g s VAL 39 Cb -0.66 -0.75 0.02 0.00 0.56 0.00 0.00 36.38 35.55 1q3g s VAL 39 CO 0.61 -0.37 -0.12 -0.70 -0.31 0.00 0.00 175.10 174.20 1q3g s GLU 40 N -1.72 2.10 -0.31 4.82 2.12 0.42 -0.31 118.70 125.82 1q3g s GLU 40 Ca -0.07 -0.50 -0.08 0.00 0.36 0.00 0.00 54.97 54.67 1q3g s GLU 40 Cb -0.09 -2.00 0.00 0.00 0.26 0.00 0.00 34.13 32.30 1q3g s GLU 40 CO 0.01 -0.26 0.12 0.42 -0.54 0.00 0.00 175.26 175.01 1q3g s ILE 41 N 1.54 4.30 0.39 -3.70 1.01 -0.20 -1.34 121.20 123.19 1q3g s ILE 41 Ca 0.05 -0.57 -0.01 0.00 0.00 0.00 0.00 60.65 60.12 1q3g s ILE 41 Cb -0.13 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.10 1q3g s ILE 41 CO -0.10 0.06 0.62 -1.10 0.00 0.00 0.00 174.94 174.42 1q3g s GLN 42 N 1.56 3.47 -1.49 2.79 -0.21 0.15 -0.65 119.66 125.28 1q3g s GLN 42 Ca 0.04 -0.20 -0.06 0.00 0.02 0.00 0.00 55.36 55.16 1q3g s GLN 42 Cb -0.17 -2.58 0.01 0.00 1.00 0.00 0.00 33.01 31.27 1q3g s GLN 42 CO 0.04 0.02 0.76 -1.71 -2.12 0.00 0.00 175.29 172.29 1q3g n ASN 43 N -1.94 -6.18 -4.64 5.90 5.15 -1.07 -1.21 115.26 111.26 1q3g n ASN 43 Ca -0.03 -0.35 -0.42 0.00 -0.60 0.00 0.00 54.58 53.18 1q3g n ASN 43 Cb 0.56 -4.94 -0.04 0.00 -0.53 0.00 0.00 39.78 34.83 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 4.83 0.65 3.44 1.01 -0.52 -3.18 120.40 123.41 1q3g s VAL 44 Ca 0.38 1.59 -0.17 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 32.08 1q3g s VAL 44 CO 0.47 -0.08 1.19 -2.16 0.00 0.00 0.00 175.10 174.53 1q3g s PRO 45 N 2.85 2.68 -0.86 2.72 0.04 -1.26 -4.77 135.00 136.41 1q3g s PRO 45 Ca 0.35 1.75 -0.18 0.00 0.04 0.00 0.00 61.00 62.96 1q3g s PRO 45 Cb -0.15 -1.90 0.14 0.00 0.04 0.00 0.00 34.50 32.63 1q3g s PRO 45 CO 0.07 -1.41 1.01 0.15 0.04 0.00 0.00 177.00 176.86 1q3g s LYS 46 N -3.62 3.52 0.19 4.56 1.02 -1.26 -4.86 119.74 119.29 1q3g s LYS 46 Ca 0.75 -1.79 0.09 0.00 0.02 0.00 0.00 55.97 55.04 1q3g s LYS 46 Cb -0.29 -4.72 -0.04 0.00 -0.52 0.00 0.00 37.83 32.26 1q3g s LYS 46 CO 0.38 -1.67 -0.17 -0.51 -0.92 0.00 0.00 175.35 172.46 1q3g s LEU 47 N 2.31 2.50 0.31 3.17 1.43 -1.26 -4.57 118.68 122.57 1q3g s LEU 47 Ca 0.27 -0.94 0.02 0.00 -1.03 0.00 0.00 54.13 52.45 1q3g s LEU 47 Cb -0.08 -0.81 0.57 0.00 0.03 0.00 0.00 46.19 45.89 1q3g s LEU 47 CO -0.07 -0.07 1.90 0.50 0.23 0.00 0.00 176.35 178.84 1q3g h LYS 48 N 2.87 0.95 -0.09 1.70 3.11 -1.52 -0.89 116.57 122.70 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 1.22 -0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 32.22 1q3g h LYS 48 CO 0.56 0.63 -0.28 -0.44 -2.81 0.00 0.00 179.45 177.11 1q3g h ASP 49 N 0.98 0.15 -0.05 4.20 3.32 -1.83 -1.67 116.42 121.52 1q3g h ASP 49 Ca 0.41 -0.05 -0.13 0.00 0.02 0.00 0.00 57.03 57.28 1q3g h ASP 49 Cb 0.30 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1q3g h ASP 49 CO -0.17 0.44 -0.40 0.40 -1.72 0.00 0.00 179.24 177.78 1q3g h ILE 50 N 0.14 1.30 -0.17 0.35 1.08 -1.49 -0.46 117.51 118.26 1q3g h ILE 50 Ca 0.02 -1.57 -0.02 0.00 -0.39 0.00 0.00 64.86 62.91 1q3g h ILE 50 Cb 0.57 1.55 -0.01 0.00 -3.07 0.00 0.00 36.82 35.86 1q3g h ILE 50 CO 0.04 0.49 0.04 0.44 -0.69 0.00 0.00 178.15 178.48 1q3g h ASP 51 N 0.47 0.25 -0.86 1.72 3.32 -1.02 -0.66 116.42 119.65 1q3g h ASP 51 Ca 0.04 -0.23 0.01 0.00 0.02 0.00 0.00 57.03 56.87 1q3g h ASP 51 Cb 0.90 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.34 1q3g h ASP 51 CO 0.08 0.42 0.57 0.74 -1.72 0.00 0.00 179.24 179.33 1q3g h THR 52 N 0.07 1.22 -0.38 0.35 2.02 -1.17 0.19 112.91 115.21 1q3g h THR 52 Ca 0.05 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 1q3g h THR 52 Cb 0.27 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.61 1q3g h THR 52 CO 0.00 0.21 0.18 0.74 0.37 0.00 0.00 175.52 177.02 1q3g h THR 53 N 1.16 1.18 -0.79 3.16 2.02 -0.90 -0.69 112.91 118.04 1q3g h THR 53 Ca 0.32 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 1q3g h THR 53 Cb -0.13 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 1q3g h THR 53 CO -0.07 0.19 0.45 0.24 0.37 0.00 0.00 175.52 176.70 1q3g h MET 54 N 0.48 1.09 -0.22 6.66 2.07 -0.54 0.11 114.93 124.58 1q3g h MET 54 Ca 0.13 -0.11 -0.00 0.00 -2.07 0.00 0.00 59.70 57.64 1q3g h MET 54 Cb 0.14 -0.22 -0.01 0.00 -1.87 0.00 0.00 31.60 29.63 1q3g h MET 54 CO -0.02 0.79 0.12 -0.22 1.07 0.00 0.00 176.91 178.66 1q3g h LYS 55 N 1.10 0.31 -0.07 1.72 3.64 -0.47 -0.08 116.57 122.72 1q3g h LYS 55 Ca 0.28 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1q3g h LYS 55 Cb 0.00 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1q3g h LYS 55 CO -0.05 0.28 0.03 1.25 -2.27 0.00 0.00 179.45 178.69 1q3g h LEU 56 N 0.25 0.09 -0.43 5.20 6.46 -0.65 -0.49 115.31 125.75 1q3g h LEU 56 Ca 0.08 -0.13 0.05 0.00 -0.12 0.00 0.00 57.88 57.76 1q3g h LEU 56 Cb 0.06 -0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 39.92 1q3g h LEU 56 CO -0.01 0.19 0.15 -0.07 -0.62 0.00 0.00 178.44 178.08 1q3g h LEU 57 N -0.02 0.16 -0.96 2.25 3.38 -0.60 -1.17 115.31 118.36 1q3g h LEU 57 Ca 0.02 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1q3g h LEU 57 Cb 0.13 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 1q3g h LEU 57 CO -0.00 0.13 0.64 0.74 0.09 0.00 0.00 178.44 180.03 1q3g h THR 58 N 0.32 1.24 0.00 0.22 2.02 -0.84 -0.84 112.91 115.03 1q3g h THR 58 Ca 0.20 -0.44 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 1q3g h THR 58 Cb 0.19 -0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 66.43 1q3g h THR 58 CO -0.20 0.24 -0.02 1.56 0.37 0.00 0.00 175.52 177.47 1q3g h GLN 59 N 1.30 0.00 -0.00 6.66 1.08 0.09 -0.92 115.11 123.32 1q3g h GLN 59 Ca 0.35 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.55 1q3g h GLN 59 Cb -0.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.28 1q3g h GLN 59 CO -0.08 0.02 -0.09 1.28 -0.95 0.00 0.00 178.83 179.01 1q3g n LEU 60 N -3.99 0.47 0.00 1.46 4.77 -0.38 -4.62 117.00 114.72 1q3g n LEU 60 Ca -0.03 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1q3g n LEU 60 Cb 0.10 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1q3g n LEU 60 CO 0.29 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1q3g n GLY 61 N 1.25 1.41 3.90 -0.72 0.00 -0.35 -0.97 105.19 109.71 1q3g n GLY 61 Ca 0.16 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 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 5.22 -0.38 2.61 2.01 -0.84 -4.40 115.64 117.86 1q3g s THR 62 Ca 0.00 -0.05 -0.15 0.00 0.31 0.00 0.00 61.69 61.80 1q3g s THR 62 Cb 0.00 -3.62 0.01 0.00 0.01 0.00 0.00 72.50 68.89 1q3g s THR 62 CO 0.00 0.08 0.33 -0.54 -0.69 0.00 0.00 174.62 173.80 1q3g s LYS 63 N -2.56 3.24 0.01 4.92 1.02 -0.56 -4.17 119.74 121.64 1q3g s LYS 63 Ca 0.39 -0.75 0.06 0.00 0.02 0.00 0.00 55.97 55.68 1q3g s LYS 63 Cb -0.12 -3.90 -0.02 0.00 -0.52 0.00 0.00 37.83 33.27 1q3g s LYS 63 CO 0.25 -0.65 -0.18 0.08 -0.92 0.00 0.00 175.35 173.93 1q3g s VAL 64 N 1.86 1.39 -0.19 3.17 1.01 -1.26 -1.29 120.40 125.09 1q3g s VAL 64 Ca 0.08 -0.91 -0.28 0.00 0.00 0.00 0.00 61.98 60.87 1q3g s VAL 64 Cb -0.18 -1.19 0.08 0.00 0.00 0.00 0.00 36.38 35.09 1q3g s VAL 64 CO 0.11 0.26 0.77 -1.83 0.00 0.00 0.00 175.10 174.42 1q3g s GLU 65 N -0.76 0.85 0.34 2.72 -1.05 -0.97 -5.01 118.70 114.82 1q3g s GLU 65 Ca 0.06 0.61 0.07 0.00 -0.15 0.00 0.00 54.97 55.56 1q3g s GLU 65 Cb -0.07 0.41 -0.03 0.00 -0.44 0.00 0.00 34.13 34.00 1q3g s GLU 65 CO 0.00 -0.18 0.25 2.89 0.95 0.00 0.00 175.26 179.17 1q3g n ARG 66 N 1.83 0.43 0.00 -4.83 1.85 -1.26 0.10 116.66 114.78 1q3g n ARG 66 Ca -0.15 -3.28 0.00 0.00 -1.00 0.00 0.00 57.85 53.42 1q3g n ARG 66 Cb 0.56 2.51 0.00 0.00 -1.05 0.00 0.00 32.46 34.48 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 -1.68 0.00 0.08 2.89 5.68 -1.26 -5.00 116.55 117.26 1q3g n ASP 67 Ca 0.05 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.45 1q3g n ASP 67 Cb 0.59 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.57 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 4.56 -1.38 3.78 6.12 0.00 -1.26 -5.09 105.19 111.93 1q3g n GLY 68 Ca 0.00 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 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 -5.00 4.85 -0.15 1.61 0.01 -1.26 -1.44 113.70 112.31 1q3g s SER 69 Ca -0.00 -0.74 0.01 0.00 1.31 0.00 0.00 55.95 56.52 1q3g s SER 69 Cb 0.11 -0.73 0.02 0.00 0.21 0.00 0.00 66.02 65.63 1q3g s SER 69 CO 0.80 -0.40 -0.16 -0.69 0.41 0.00 0.00 173.24 173.21 1q3g s VAL 70 N -2.43 1.70 -0.21 3.43 1.01 0.17 -4.35 120.40 119.73 1q3g s VAL 70 Ca 0.40 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.54 1q3g s VAL 70 Cb -0.03 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1q3g s VAL 70 CO 0.24 0.48 0.28 0.26 0.00 0.00 0.00 175.10 176.36 1q3g s TRP 71 N 1.40 3.37 -0.04 5.22 0.51 0.12 -1.04 118.94 128.48 1q3g s TRP 71 Ca 0.04 0.46 0.06 0.00 -2.12 0.00 0.00 56.10 54.54 1q3g s TRP 71 Cb -0.13 -2.38 -0.01 0.00 -0.81 0.00 0.00 33.47 30.14 1q3g s TRP 71 CO -0.11 0.09 -0.23 0.42 -0.51 0.00 0.00 176.95 176.62 1q3g s ILE 72 N 0.98 1.83 -0.29 2.03 -1.09 0.57 -2.28 121.20 122.95 1q3g s ILE 72 Ca 0.14 -0.96 -0.02 0.00 -2.23 0.00 0.00 60.65 57.58 1q3g s ILE 72 Cb -0.14 -1.54 0.10 0.00 -1.58 0.00 0.00 42.46 39.30 1q3g s ILE 72 CO 0.05 0.51 0.11 -0.62 -1.23 0.00 0.00 174.94 173.76 1q3g s ASP 73 N -0.25 3.73 -0.36 3.58 3.68 -0.41 0.15 116.67 126.79 1q3g s ASP 73 Ca 0.01 -1.43 0.07 0.00 2.13 0.00 0.00 52.55 53.32 1q3g s ASP 73 Cb -0.12 -0.62 0.53 0.00 -1.45 0.00 0.00 42.92 41.26 1q3g s ASP 73 CO 0.02 -0.42 1.59 0.00 0.13 0.00 0.00 175.17 176.49 1q3g n ALA 74 N 5.03 4.85 -0.36 3.66 0.00 -1.26 -1.49 120.51 130.94 1q3g n ALA 74 Ca -0.04 -3.19 0.06 0.00 0.00 0.00 0.00 53.44 50.26 1q3g n ALA 74 Cb 0.42 -0.94 0.21 0.00 0.00 0.00 0.00 19.45 19.15 1q3g n ALA 74 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1q3g h SER 75 N 1.19 0.93 -4.29 0.00 4.64 -1.77 -3.40 113.55 110.86 1q3g h SER 75 Ca 0.36 0.04 -0.64 0.00 -0.47 0.00 0.00 61.79 61.07 1q3g h SER 75 Cb 1.82 -0.15 -0.30 0.00 -0.31 0.00 0.00 62.40 63.46 1q3g h SER 75 CO 0.68 0.53 -0.87 0.21 -0.87 0.00 0.00 176.83 176.50 1q3g s ASN 76 N -5.73 2.71 -0.20 4.97 3.84 -1.26 -5.02 114.94 114.24 1q3g s ASN 76 Ca -0.12 -0.43 0.01 0.00 0.21 0.00 0.00 52.86 52.53 1q3g s ASN 76 Cb 0.21 -0.49 0.04 0.00 -0.55 0.00 0.00 41.25 40.47 1q3g s ASN 76 CO 0.81 0.25 -0.11 -0.69 -2.79 0.00 0.00 177.10 174.57 1q3g s VAL 77 N -0.35 1.72 -0.23 -5.21 1.01 -1.26 -4.36 120.40 111.72 1q3g s VAL 77 Ca 0.04 -1.08 0.17 0.00 0.00 0.00 0.00 61.98 61.11 1q3g s VAL 77 Cb -0.11 -1.79 0.12 0.00 0.00 0.00 0.00 36.38 34.61 1q3g s VAL 77 CO 0.01 0.16 1.45 -1.13 0.00 0.00 0.00 175.10 175.59 1q3g h ASN 78 N 7.95 0.00 -5.12 3.32 -1.24 -1.27 -3.48 115.58 115.75 1q3g h ASN 78 Ca -0.28 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 56.65 1q3g h ASN 78 Cb 1.09 0.00 -0.15 0.00 0.73 0.00 0.00 38.32 40.00 1q3g h ASN 78 CO 0.48 0.37 -0.31 0.21 -1.29 0.00 0.00 177.43 176.89 1q3g s ASN 79 N -6.34 0.02 -0.10 1.15 2.47 -0.95 -4.98 114.94 106.21 1q3g s ASN 79 Ca 0.04 -0.50 0.15 0.00 0.42 0.00 0.00 52.86 52.97 1q3g s ASN 79 Cb 0.07 0.35 0.32 0.00 -1.45 0.00 0.00 41.25 40.54 1q3g s ASN 79 CO 0.73 -0.70 1.15 0.49 -3.72 0.00 0.00 177.10 175.05 1q3g n PHE 80 N 0.12 0.00 -4.73 0.43 3.72 -1.26 -4.65 117.46 111.08 1q3g n PHE 80 Ca -0.16 -0.87 -0.26 0.00 -0.05 0.00 0.00 57.45 56.11 1q3g n PHE 80 Cb 0.62 -0.17 -0.14 0.00 -0.94 0.00 0.00 39.48 38.85 1q3g n PHE 80 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1q3g s SER 81 N -2.45 2.51 -0.48 4.37 0.01 -1.26 -0.53 113.70 115.88 1q3g s SER 81 Ca 0.29 -0.50 0.03 0.00 1.31 0.00 0.00 55.95 57.08 1q3g s SER 81 Cb 0.29 -0.22 0.15 0.00 0.21 0.00 0.00 66.02 66.45 1q3g s SER 81 CO -0.06 0.19 0.31 0.00 0.41 0.00 0.00 173.24 174.09 1q3g s ALA 82 N -0.74 2.26 1.01 1.44 0.00 -0.46 -4.88 121.76 120.39 1q3g s ALA 82 Ca 0.08 -2.78 -0.12 0.00 0.00 0.00 0.00 51.96 49.14 1q3g s ALA 82 Cb -0.09 -1.86 0.18 0.00 0.00 0.00 0.00 23.12 21.34 1q3g s ALA 82 CO 0.01 -2.05 0.96 -0.35 0.00 0.00 0.00 175.76 174.33 1q3g n PRO 83 N 3.09 -1.12 -0.36 0.00 -0.04 -1.26 -2.51 135.00 132.80 1q3g n PRO 83 Ca 0.16 -0.28 -0.02 0.00 -0.04 0.00 0.00 63.50 63.32 1q3g n PRO 83 Cb 0.38 -2.22 0.03 0.00 -0.04 0.00 0.00 33.50 31.65 1q3g n PRO 83 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 1q3g h TYR 84 N -2.12 -1.14 0.00 0.54 3.20 -1.94 -2.11 116.97 113.40 1q3g h TYR 84 Ca -0.49 0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.48 1q3g h TYR 84 Cb 1.30 0.64 0.00 0.00 1.54 0.00 0.00 36.73 40.20 1q3g h TYR 84 CO 0.40 -0.40 0.00 -0.40 -1.64 0.00 0.00 178.16 176.12 1q3g n ASP 85 N -5.45 0.00 0.00 -2.11 5.75 -1.26 -1.32 116.55 112.16 1q3g n ASP 85 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.87 1q3g n ASP 85 Cb 0.39 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 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 -0.54 0.16 0.25 -2.12 0.00 -0.80 -4.76 117.00 109.18 1q3g n LEU 86 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 56.01 56.17 1q3g n LEU 86 Cb 0.00 0.00 0.62 0.00 0.00 0.00 0.00 43.42 44.04 1q3g n LEU 86 CO 0.00 -0.13 0.96 -0.37 0.00 0.00 0.00 177.39 177.85 1q3g h VAL 87 N 0.00 0.00 0.00 1.96 -1.51 -1.44 -2.20 116.25 113.06 1q3g h VAL 87 Ca 0.00 -0.51 0.00 0.00 -1.23 0.00 0.00 66.70 64.96 1q3g h VAL 87 Cb 0.67 1.47 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 1q3g h VAL 87 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 177.57 178.63 1q3g n LYS 88 N -2.96 0.13 -0.00 5.19 2.85 -0.43 -1.65 118.16 121.28 1q3g n LYS 88 Ca 0.01 0.39 0.09 0.00 -1.05 0.00 0.00 58.31 57.74 1q3g n LYS 88 Cb 0.31 -1.76 -0.11 0.00 -0.65 0.00 0.00 35.03 32.82 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 -2.01 0.00 -3.15 0.58 -2.24 -0.83 -4.87 114.28 101.76 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 0.20 0.92 -0.00 0.00 -2.10 0.00 0.00 70.33 69.35 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 -2.76 0.49 0.15 -0.78 -2.45 -0.66 -5.02 119.30 108.28 1q3g s MET 90 Ca 0.06 0.60 0.19 0.00 -1.25 0.00 0.00 55.69 55.30 1q3g s MET 90 Cb 0.14 0.30 0.82 0.00 1.25 0.00 0.00 34.83 37.34 1q3g s MET 90 CO 0.75 -0.81 1.60 2.89 1.05 0.00 0.00 175.02 180.50 1q3g n ARG 91 N 5.39 0.11 0.00 4.11 1.85 -1.19 -2.12 116.66 124.81 1q3g n ARG 91 Ca 0.03 0.35 0.06 0.00 -1.00 0.00 0.00 57.85 57.29 1q3g n ARG 91 Cb 0.54 -1.71 0.26 0.00 -1.05 0.00 0.00 32.46 30.49 1q3g n ARG 91 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1q3g n ALA 92 N -1.66 1.58 1.05 2.89 0.00 -1.26 -1.86 120.51 121.25 1q3g n ALA 92 Ca 0.03 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.52 1q3g n ALA 92 Cb 0.20 -1.19 0.52 0.00 0.00 0.00 0.00 19.45 18.98 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 -1.44 0.00 0.26 0.00 3.41 -0.90 -1.74 113.62 113.21 1q3g n SER 93 Ca 0.04 -0.33 0.13 0.00 -0.26 0.00 0.00 58.87 58.45 1q3g n SER 93 Cb 0.12 -0.12 0.71 0.00 -0.26 0.00 0.00 64.21 64.67 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 0.49 0.00 -1.33 6.09 -1.64 -2.26 117.51 118.86 1q3g h ILE 94 Ca 0.00 -0.59 0.00 0.00 -1.37 0.00 0.00 64.86 62.90 1q3g h ILE 94 Cb 0.07 1.40 0.00 0.00 0.47 0.00 0.00 36.82 38.76 1q3g h ILE 94 CO 0.00 0.12 0.00 0.79 -3.07 0.00 0.00 178.15 175.99 1q3g n TRP 95 N -3.53 0.00 0.04 2.19 8.01 -0.71 -2.20 117.44 121.24 1q3g n TRP 95 Ca -0.01 0.00 -0.08 0.00 -1.31 0.00 0.00 57.50 56.10 1q3g n TRP 95 Cb 0.26 -0.17 -0.13 0.00 -2.01 0.00 0.00 31.31 29.27 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 2.63 0.44 -0.08 6.99 0.00 -1.64 -3.37 119.26 124.23 1q3g h ALA 96 Ca 0.00 -1.05 0.04 0.00 0.00 0.00 0.00 54.91 53.90 1q3g h ALA 96 Cb 0.06 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1q3g h ALA 96 CO 0.00 1.32 -0.29 1.25 0.00 0.00 0.00 179.25 181.53 1q3g h LEU 97 N 0.00 -0.90 0.15 0.00 5.85 -1.64 -2.04 115.31 116.73 1q3g h LEU 97 Ca -0.08 0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1q3g h LEU 97 Cb 1.84 0.38 -0.04 0.00 0.37 0.00 0.00 40.66 43.20 1q3g h LEU 97 CO 0.12 -0.35 -0.51 1.23 -0.34 0.00 0.00 178.44 178.59 1q3g h GLY 98 N -0.40 -1.18 0.97 3.75 0.00 -1.76 -1.67 103.07 102.79 1q3g h GLY 98 Ca 0.08 0.64 0.01 0.00 0.00 0.00 0.00 47.33 48.07 1q3g h GLY 98 CO -0.30 -0.28 0.46 -2.55 0.00 0.00 0.00 176.54 173.87 1q3g h PRO 99 N -0.76 0.91 -0.31 4.80 0.11 -1.73 -1.50 132.00 133.52 1q3g h PRO 99 Ca -0.01 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.07 1q3g h PRO 99 Cb 0.75 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.63 1q3g h PRO 99 CO -0.26 0.60 0.14 -0.07 -0.21 0.00 0.00 178.00 178.20 1q3g h LEU 100 N 0.94 0.20 -0.60 2.35 3.38 -1.16 -0.36 115.31 120.05 1q3g h LEU 100 Ca 0.27 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 58.10 1q3g h LEU 100 Cb -0.08 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1q3g h LEU 100 CO -0.07 0.15 -0.66 1.62 0.09 0.00 0.00 178.44 179.57 1q3g h VAL 101 N 0.30 1.42 -0.15 1.22 3.04 -1.16 0.18 116.25 121.11 1q3g h VAL 101 Ca 0.13 -2.15 -0.12 0.00 -1.01 0.00 0.00 66.70 63.55 1q3g h VAL 101 Cb 0.06 2.13 -0.01 0.00 -2.01 0.00 0.00 31.29 31.46 1q3g h VAL 101 CO -0.10 0.63 -0.44 0.00 -1.01 0.00 0.00 177.57 176.64 1q3g h ALA 102 N 1.19 0.97 0.01 3.17 0.00 -0.93 -0.86 119.26 122.81 1q3g h ALA 102 Ca -0.01 -0.45 -0.38 0.00 0.00 0.00 0.00 54.91 54.07 1q3g h ALA 102 Cb 1.19 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 1q3g h ALA 102 CO 0.10 0.63 -2.39 -2.13 0.00 0.00 0.00 179.25 175.46 1q3g n ARG 103 N -4.00 0.67 -0.07 0.00 0.63 -0.18 -4.61 116.66 109.10 1q3g n ARG 103 Ca -0.02 0.11 0.05 0.00 -0.92 0.00 0.00 57.85 57.08 1q3g n ARG 103 Cb 0.52 -1.54 0.09 0.00 0.45 0.00 0.00 32.46 31.97 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 -3.10 0.20 -0.88 -0.14 3.01 0.64 -4.98 117.46 112.20 1q3g n PHE 104 Ca -0.40 -0.22 0.00 0.00 1.01 0.00 0.00 57.45 57.84 1q3g n PHE 104 Cb 1.05 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.51 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 0.53 0.51 3.40 1.37 0.00 -0.33 -4.95 105.19 105.73 1q3g n GLY 105 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.51 1.23 0.00 1.61 -2.07 -1.24 -1.28 119.66 117.39 1q3g s GLN 106 Ca 0.00 -0.56 0.00 0.00 -1.82 0.00 0.00 55.36 52.98 1q3g s GLN 106 Cb 0.00 0.55 0.00 0.00 -1.09 0.00 0.00 33.01 32.47 1q3g s GLN 106 CO 0.00 -0.52 0.00 0.41 -1.32 0.00 0.00 175.29 173.86 1q3g n GLY 107 N -0.33 1.23 2.73 2.60 0.00 -0.56 -2.94 105.19 107.92 1q3g n GLY 107 Ca -0.16 -0.13 -0.18 0.00 0.00 0.00 0.00 46.02 45.55 1q3g n GLY 107 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1q3g s GLN 108 N -1.56 -0.02 -0.02 1.61 -0.21 0.31 -0.75 119.66 119.03 1q3g s GLN 108 Ca 0.00 0.26 0.03 0.00 0.02 0.00 0.00 55.36 55.67 1q3g s GLN 108 Cb 0.00 -0.40 -0.00 0.00 1.00 0.00 0.00 33.01 33.61 1q3g s GLN 108 CO 0.00 -0.24 -0.10 0.08 -2.12 0.00 0.00 175.29 172.91 1q3g s VAL 109 N 1.58 0.79 0.18 1.09 1.01 -1.00 -1.35 120.40 122.70 1q3g s VAL 109 Ca -0.03 -0.40 -0.32 0.00 0.00 0.00 0.00 61.98 61.24 1q3g s VAL 109 Cb -0.13 -0.69 -0.11 0.00 0.00 0.00 0.00 36.38 35.46 1q3g s VAL 109 CO -0.03 0.24 1.63 -0.55 0.00 0.00 0.00 175.10 176.39 1q3g s SER 110 N -0.00 6.51 -0.10 3.32 0.15 -1.04 -0.39 113.70 122.14 1q3g s SER 110 Ca 0.00 2.71 -0.29 0.00 0.70 0.00 0.00 55.95 59.07 1q3g s SER 110 Cb -0.06 -2.60 -0.06 0.00 -1.71 0.00 0.00 66.02 61.59 1q3g s SER 110 CO 0.00 -0.88 1.90 -0.22 1.20 0.00 0.00 173.24 175.24 1q3g s LEU 111 N 1.19 4.06 0.44 3.45 0.20 0.91 -4.83 118.68 124.11 1q3g s LEU 111 Ca 0.72 2.18 -0.25 0.00 0.69 0.00 0.00 54.13 57.47 1q3g s LEU 111 Cb -0.46 -3.53 -0.08 0.00 -0.43 0.00 0.00 46.19 41.69 1q3g s LEU 111 CO 0.32 -1.30 1.32 -2.16 -0.29 0.00 0.00 176.35 174.24 1q3g s PRO 112 N 4.89 3.77 0.00 0.98 0.04 -1.26 -4.97 135.00 138.45 1q3g s PRO 112 Ca 0.85 2.18 0.00 0.00 0.04 0.00 0.00 61.00 64.07 1q3g s PRO 112 Cb -0.35 -2.63 0.00 0.00 0.04 0.00 0.00 34.50 31.56 1q3g s PRO 112 CO 0.35 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 177.14 1q3g n GLY 113 N 0.63 -0.02 3.79 0.56 0.00 -1.26 -4.99 105.19 103.90 1q3g n GLY 113 Ca 0.05 -1.73 -0.31 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.95 1.73 0.40 -0.02 0.00 -1.26 -4.90 107.32 102.33 1q3g s GLY 114 Ca 0.00 0.24 0.07 0.00 0.00 0.00 0.00 44.72 45.03 1q3g s GLY 114 CO 0.00 0.57 0.10 0.00 0.00 0.00 0.00 173.10 173.78 1q3g h ALA 116 N 1.59 0.30 -0.00 0.00 0.00 -1.96 -3.14 119.26 116.05 1q3g h ALA 116 Ca -0.43 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1q3g h ALA 116 Cb 1.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1q3g h ALA 116 CO 0.73 -0.08 -0.01 0.44 0.00 0.00 0.00 179.25 180.33 1q3g n ILE 117 N -4.77 0.00 0.00 0.00 -5.35 -1.26 -4.79 119.36 103.19 1q3g n ILE 117 Ca -0.03 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 1q3g n ILE 117 Cb 0.15 -0.31 0.00 0.00 -1.74 0.00 0.00 39.64 37.74 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 1.10 2.25 0.25 3.28 0.00 -1.19 -1.47 105.19 109.40 1q3g n GLY 118 Ca 0.21 -0.87 0.01 0.00 0.00 0.00 0.00 46.02 45.38 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 1.46 -6.28 4.61 0.00 -1.93 -1.83 119.26 115.29 1q3g h ALA 119 Ca 0.00 -0.21 -0.42 0.00 0.00 0.00 0.00 54.91 54.28 1q3g h ALA 119 Cb 0.00 -0.10 0.07 0.00 0.00 0.00 0.00 17.79 17.75 1q3g h ALA 119 CO 0.00 0.38 -0.90 0.54 0.00 0.00 0.00 179.25 179.27 1q3g n ARG 120 N -4.27 -1.15 -0.68 0.00 1.74 -1.26 -4.18 116.66 106.86 1q3g n ARG 120 Ca -0.00 0.51 -0.29 0.00 -0.77 0.00 0.00 57.85 57.30 1q3g n ARG 120 Cb 0.26 -3.92 0.21 0.00 -1.02 0.00 0.00 32.46 28.00 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 -5.83 -0.04 -0.11 5.56 0.04 -1.26 -4.96 135.00 128.40 1q3g s PRO 121 Ca 0.41 1.05 0.15 0.00 0.04 0.00 0.00 61.00 62.65 1q3g s PRO 121 Cb -0.16 -1.64 0.25 0.00 0.04 0.00 0.00 34.50 32.99 1q3g s PRO 121 CO 0.87 -3.19 1.13 1.55 0.04 0.00 0.00 177.00 177.39 1q3g n VAL 122 N -4.57 1.53 -0.28 -0.36 3.14 -1.26 -4.84 118.33 111.68 1q3g n VAL 122 Ca 0.06 -1.90 0.07 0.00 -2.96 0.00 0.00 64.34 59.61 1q3g n VAL 122 Cb 0.54 -0.08 0.22 0.00 -1.06 0.00 0.00 33.84 33.46 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 0.10 0.34 0.09 6.55 2.03 -2.00 -1.32 116.42 122.21 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 1.09 0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 39.66 1q3g h ASP 123 CO 0.00 0.11 -0.14 -0.07 -1.03 0.00 0.00 179.24 178.11 1q3g h LEU 124 N 0.48 0.11 0.34 0.15 3.38 -1.98 0.22 115.31 118.01 1q3g h LEU 124 Ca 0.45 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.39 1q3g h LEU 124 Cb 0.72 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1q3g h LEU 124 CO -0.42 0.27 -0.17 0.45 0.09 0.00 0.00 178.44 178.66 1q3g h HIS 125 N 0.12 -0.43 -0.24 1.13 3.86 -1.57 -0.52 115.15 117.50 1q3g h HIS 125 Ca 0.02 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1q3g h HIS 125 Cb 0.32 0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 1q3g h HIS 125 CO 0.00 -0.16 0.14 0.82 0.86 0.00 0.00 177.93 179.60 1q3g h ILE 126 N -0.64 1.04 -0.81 2.45 2.04 -1.29 -1.50 117.51 118.80 1q3g h ILE 126 Ca -0.05 -0.10 0.11 0.00 1.00 0.00 0.00 64.86 65.83 1q3g h ILE 126 Cb 0.46 0.72 -0.08 0.00 -0.74 0.00 0.00 36.82 37.18 1q3g h ILE 126 CO 0.08 0.05 0.43 0.15 0.00 0.00 0.00 178.15 178.86 1q3g h PHE 127 N 0.30 0.77 0.01 1.37 3.57 -0.52 0.32 116.94 122.76 1q3g h PHE 127 Ca 0.09 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 1q3g h PHE 127 Cb -0.01 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.50 1q3g h PHE 127 CO -0.07 0.25 -0.01 0.78 -2.23 0.00 0.00 178.31 177.04 1q3g h GLY 128 N 0.68 -0.02 1.01 2.40 0.00 -0.55 -1.55 103.07 105.04 1q3g h GLY 128 Ca 0.41 0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.75 1q3g h GLY 128 CO -0.30 -0.01 0.54 1.41 0.00 0.00 0.00 176.54 178.19 1q3g h LEU 129 N -0.22 1.04 -1.16 3.11 3.38 -0.84 -1.96 115.31 118.67 1q3g h LEU 129 Ca -0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1q3g h LEU 129 Cb 0.21 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1q3g h LEU 129 CO 0.00 0.79 0.45 -0.33 0.09 0.00 0.00 178.44 179.45 1q3g h GLU 130 N 1.20 1.03 0.00 1.13 5.08 -0.80 -0.28 114.58 121.94 1q3g h GLU 130 Ca 0.32 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 1q3g h GLU 130 Cb -0.07 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 28.96 1q3g h GLU 130 CO -0.06 0.72 -0.09 0.87 -1.00 0.00 0.00 179.01 179.45 1q3g h LYS 131 N 1.05 0.00 -0.06 2.33 1.79 -0.54 -1.22 116.57 119.91 1q3g h LYS 131 Ca 0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 1q3g h LYS 131 Cb -0.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 1q3g h LYS 131 CO -0.05 0.09 0.00 1.28 -1.08 0.00 0.00 179.45 179.69 1q3g n LEU 132 N -3.31 1.50 0.00 2.94 4.77 -0.20 -4.68 117.00 118.02 1q3g n LEU 132 Ca -0.01 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 1q3g n LEU 132 Cb 0.29 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1q3g n LEU 132 CO 0.29 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1q3g n GLY 133 N 1.15 0.63 3.78 -0.72 0.00 -0.46 -0.38 105.19 109.19 1q3g n GLY 133 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 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 2.90 -0.24 4.61 0.00 -0.70 -4.82 121.76 121.51 1q3g s ALA 134 Ca 0.00 0.77 -0.07 0.00 0.00 0.00 0.00 51.96 52.66 1q3g s ALA 134 Cb 0.00 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 1q3g s ALA 134 CO 0.00 -0.50 0.05 -2.00 0.00 0.00 0.00 175.76 173.31 1q3g s GLU 135 N -2.95 3.62 -0.02 0.00 2.12 0.64 -4.16 118.70 117.93 1q3g s GLU 135 Ca 0.66 -0.50 0.07 0.00 0.36 0.00 0.00 54.97 55.56 1q3g s GLU 135 Cb -0.23 -3.27 -0.02 0.00 0.26 0.00 0.00 34.13 30.88 1q3g s GLU 135 CO 0.27 -0.18 -0.23 0.42 -0.54 0.00 0.00 175.26 175.00 1q3g s ILE 136 N 1.56 1.87 0.04 -3.70 1.01 -1.26 -1.59 121.20 119.13 1q3g s ILE 136 Ca 0.06 -1.00 -0.00 0.00 0.00 0.00 0.00 60.65 59.70 1q3g s ILE 136 Cb -0.15 -1.56 -0.03 0.00 0.01 0.00 0.00 42.46 40.73 1q3g s ILE 136 CO 0.02 0.53 -0.03 -1.59 0.00 0.00 0.00 174.94 173.87 1q3g s LYS 137 N -0.47 0.53 -0.31 2.79 -2.85 -0.16 -4.98 119.74 114.28 1q3g s LYS 137 Ca 0.07 -1.03 -0.06 0.00 -1.00 0.00 0.00 55.97 53.95 1q3g s LYS 137 Cb -0.10 0.15 0.03 0.00 -2.06 0.00 0.00 37.83 35.85 1q3g s LYS 137 CO -0.00 -0.08 0.07 -1.17 0.10 0.00 0.00 175.35 174.27 1q3g s LEU 138 N -2.45 4.03 -0.03 2.77 2.96 -1.26 -0.52 118.68 124.19 1q3g s LEU 138 Ca -0.00 -1.00 0.01 0.00 -0.22 0.00 0.00 54.13 52.92 1q3g s LEU 138 Cb 0.02 -1.84 0.02 0.00 0.50 0.00 0.00 46.19 44.89 1q3g s LEU 138 CO -0.07 -0.26 -0.01 -1.83 -1.32 0.00 0.00 176.35 172.86 1q3g s GLU 139 N 1.41 0.38 -1.35 1.98 -1.05 -0.48 -4.83 118.70 114.77 1q3g s GLU 139 Ca -0.01 0.00 -0.07 0.00 -0.15 0.00 0.00 54.97 54.75 1q3g s GLU 139 Cb -0.19 -0.50 0.02 0.00 -0.44 0.00 0.00 34.13 33.03 1q3g s GLU 139 CO 0.02 -0.08 1.08 0.39 0.95 0.00 0.00 175.26 177.61 1q3g n GLU 140 N 3.88 -7.07 -0.89 -4.83 1.02 -1.26 -1.54 120.64 109.96 1q3g n GLU 140 Ca -0.24 0.78 0.00 0.00 -0.02 0.00 0.00 57.16 57.68 1q3g n GLU 140 Cb 0.52 -5.77 0.00 0.00 -0.02 0.00 0.00 31.44 26.17 1q3g n GLU 140 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1q3g n GLY 141 N -1.74 0.23 3.86 0.62 0.00 -1.26 -4.98 105.19 101.92 1q3g n GLY 141 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.57 3.52 -0.44 1.61 2.02 -0.59 -0.06 117.35 121.84 1q3g s TYR 142 Ca 0.00 0.44 -0.10 0.00 -0.37 0.00 0.00 57.07 57.04 1q3g s TYR 142 Cb 0.00 -1.89 0.08 0.00 -0.40 0.00 0.00 41.96 39.75 1q3g s TYR 142 CO 0.00 0.68 0.30 0.54 -1.57 0.00 0.00 175.55 175.51 1q3g s VAL 143 N -1.07 4.43 -0.24 0.71 0.11 0.48 -1.38 120.40 123.45 1q3g s VAL 143 Ca 0.17 -1.40 -0.13 0.00 -2.93 0.00 0.00 61.98 57.69 1q3g s VAL 143 Cb -0.12 -3.73 -0.04 0.00 -1.53 0.00 0.00 36.38 30.95 1q3g s VAL 143 CO 0.07 -0.57 0.27 -0.54 -3.33 0.00 0.00 175.10 171.00 1q3g s LYS 144 N 1.46 4.08 0.05 1.54 1.02 0.32 -2.38 119.74 125.83 1q3g s LYS 144 Ca 0.04 -0.08 0.09 0.00 0.02 0.00 0.00 55.97 56.04 1q3g s LYS 144 Cb -0.24 -3.57 -0.03 0.00 -0.52 0.00 0.00 37.83 33.48 1q3g s LYS 144 CO 0.02 -0.04 -0.26 0.00 -0.92 0.00 0.00 175.35 174.15 1q3g s ALA 145 N 1.36 2.21 0.14 5.17 0.00 0.07 -0.99 121.76 129.72 1q3g s ALA 145 Ca 0.12 -1.26 -0.14 0.00 0.00 0.00 0.00 51.96 50.68 1q3g s ALA 145 Cb -0.14 -0.46 0.02 0.00 0.00 0.00 0.00 23.12 22.54 1q3g s ALA 145 CO 0.07 0.52 0.38 -1.54 0.00 0.00 0.00 175.76 175.20 1q3g s SER 146 N -1.26 -0.15 -0.27 0.00 1.04 -0.62 -1.49 113.70 110.94 1q3g s SER 146 Ca 0.11 -0.48 -0.23 0.00 0.48 0.00 0.00 55.95 55.83 1q3g s SER 146 Cb -0.10 0.48 0.07 0.00 0.10 0.00 0.00 66.02 66.57 1q3g s SER 146 CO 0.02 -0.89 0.70 0.54 0.98 0.00 0.00 173.24 174.59 1q3g s VAL 147 N -3.85 -0.00 -0.41 5.02 0.11 -0.40 -0.26 120.40 120.60 1q3g s VAL 147 Ca 0.07 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 58.90 1q3g s VAL 147 Cb 0.02 -0.98 0.02 0.00 -1.53 0.00 0.00 36.38 33.90 1q3g s VAL 147 CO -0.08 0.00 0.70 0.20 -3.33 0.00 0.00 175.10 172.60 1q3g s ASN 148 N 0.60 6.40 0.00 3.54 0.02 -1.26 -4.68 114.94 119.55 1q3g s ASN 148 Ca -0.02 -0.07 0.00 0.00 -1.02 0.00 0.00 52.86 51.75 1q3g s ASN 148 Cb -0.05 -2.35 0.00 0.00 0.02 0.00 0.00 41.25 38.87 1q3g s ASN 148 CO -0.03 -0.78 0.00 0.61 0.02 0.00 0.00 177.10 176.93 1q3g n GLY 149 N 4.88 -1.01 3.88 0.66 0.00 -1.26 -4.90 105.19 107.44 1q3g n GLY 149 Ca 0.00 -1.38 -0.30 0.00 0.00 0.00 0.00 46.02 44.34 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 3.09 0.60 1.61 0.52 -1.26 -4.78 118.95 118.73 1q3g s ARG 150 Ca 0.00 0.54 -0.12 0.00 -0.52 0.00 0.00 55.73 55.64 1q3g s ARG 150 Cb 0.00 -2.04 -0.05 0.00 0.52 0.00 0.00 34.95 33.38 1q3g s ARG 150 CO 0.00 -0.89 1.02 -0.51 0.02 0.00 0.00 175.30 174.94 1q3g s LEU 151 N -5.30 3.31 -0.15 2.53 1.43 -1.26 -4.84 118.68 114.39 1q3g s LEU 151 Ca 0.57 1.44 -0.03 0.00 -1.03 0.00 0.00 54.13 55.08 1q3g s LEU 151 Cb -0.11 -4.46 -0.02 0.00 0.03 0.00 0.00 46.19 41.62 1q3g s LEU 151 CO 0.52 -0.81 -0.07 -0.54 0.23 0.00 0.00 176.35 175.68 1q3g s LYS 152 N -4.97 3.58 0.52 1.70 3.01 0.48 0.87 119.74 124.92 1q3g s LYS 152 Ca 0.56 -0.57 -0.21 0.00 -1.01 0.00 0.00 55.97 54.73 1q3g s LYS 152 Cb -0.11 -2.83 -0.08 0.00 -1.01 0.00 0.00 37.83 33.80 1q3g s LYS 152 CO 0.50 0.23 0.87 0.41 0.51 0.00 0.00 175.35 177.87 1q3g n GLY 153 N 3.55 -0.57 3.38 -3.33 0.00 -0.32 -4.48 105.19 103.43 1q3g n GLY 153 Ca -0.18 -0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.46 -0.66 -0.48 4.61 0.00 -1.11 -4.77 121.76 117.89 1q3g s ALA 154 Ca 0.69 -0.35 -0.18 0.00 0.00 0.00 0.00 51.96 52.12 1q3g s ALA 154 Cb -0.48 0.77 0.05 0.00 0.00 0.00 0.00 23.12 23.46 1q3g s ALA 154 CO 0.53 -0.69 0.52 -1.58 0.00 0.00 0.00 175.76 174.54 1q3g s HIS 155 N -3.87 3.13 -0.21 0.00 2.46 -1.26 -1.44 115.29 114.10 1q3g s HIS 155 Ca 0.08 -0.60 -0.05 0.00 0.47 0.00 0.00 55.06 54.97 1q3g s HIS 155 Cb 0.01 -3.28 -0.02 0.00 -0.13 0.00 0.00 32.58 29.16 1q3g s HIS 155 CO -0.06 -0.89 -0.02 0.42 -2.47 0.00 0.00 174.74 171.73 1q3g s ILE 156 N 2.24 3.73 -0.31 0.89 1.01 0.27 -4.96 121.20 124.06 1q3g s ILE 156 Ca 0.11 -0.38 -0.10 0.00 0.00 0.00 0.00 60.65 60.28 1q3g s ILE 156 Cb -0.20 -2.69 -0.01 0.00 0.01 0.00 0.00 42.46 39.57 1q3g s ILE 156 CO 0.11 0.42 0.15 -0.69 0.00 0.00 0.00 174.94 174.93 1q3g s VAL 157 N 1.19 4.61 0.12 2.92 1.01 -1.26 -0.23 120.40 128.75 1q3g s VAL 157 Ca 0.03 -0.40 -0.30 0.00 0.00 0.00 0.00 61.98 61.31 1q3g s VAL 157 Cb -0.15 -3.34 -0.06 0.00 0.00 0.00 0.00 36.38 32.83 1q3g s VAL 157 CO 0.00 0.08 1.07 -0.04 0.00 0.00 0.00 175.10 176.22 1q3g s MET 158 N 1.62 4.58 0.00 2.72 1.00 -0.60 -4.94 119.30 123.68 1q3g s MET 158 Ca 0.05 1.64 0.25 0.00 0.00 0.00 0.00 55.69 57.62 1q3g s MET 158 Cb -0.17 -3.33 0.43 0.00 0.00 0.00 0.00 34.83 31.76 1q3g s MET 158 CO 0.06 0.03 1.36 -0.40 0.00 0.00 0.00 175.02 176.07 1q3g n ASP 159 N 2.90 0.94 -4.01 3.03 5.75 -1.26 -4.72 116.55 119.17 1q3g n ASP 159 Ca 0.04 -0.73 -0.11 0.00 -0.01 0.00 0.00 54.79 53.98 1q3g n ASP 159 Cb 0.47 0.34 -0.11 0.00 -1.03 0.00 0.00 41.12 40.80 1q3g n ASP 159 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1q3g s LYS 160 N -2.76 0.40 -0.25 0.11 1.02 -1.26 -5.12 119.74 111.87 1q3g s LYS 160 Ca 0.16 -0.67 -0.25 0.00 0.02 0.00 0.00 55.97 55.22 1q3g s LYS 160 Cb 0.18 -0.05 -0.00 0.00 -0.52 0.00 0.00 37.83 37.44 1q3g s LYS 160 CO 0.65 -0.01 0.87 0.08 -0.92 0.00 0.00 175.35 176.02 1q3g s VAL 161 N -1.44 4.79 -0.08 3.17 1.01 -1.26 -5.00 120.40 121.59 1q3g s VAL 161 Ca -0.13 1.61 -0.00 0.00 0.00 0.00 0.00 61.98 63.45 1q3g s VAL 161 Cb -0.10 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 32.14 1q3g s VAL 161 CO -0.00 -0.13 -0.04 -0.55 0.00 0.00 0.00 175.10 174.37 1q3g s SER 162 N 1.37 1.61 0.02 3.32 0.15 -1.26 -5.00 113.70 113.90 1q3g s SER 162 Ca 0.37 -0.18 -0.25 0.00 0.70 0.00 0.00 55.95 56.59 1q3g s SER 162 Cb -0.15 -0.59 -0.17 0.00 -1.71 0.00 0.00 66.02 63.39 1q3g s SER 162 CO 0.08 -0.11 1.38 0.58 1.20 0.00 0.00 173.24 176.37 1q3g h VAL 163 N 6.20 0.97 -0.16 4.45 2.07 -1.95 -1.92 116.25 125.91 1q3g h VAL 163 Ca -0.28 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 66.66 1q3g h VAL 163 Cb 1.14 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 32.21 1q3g h VAL 163 CO 0.38 0.14 -0.01 1.23 0.02 0.00 0.00 177.57 179.33 1q3g h GLY 164 N -0.50 0.14 1.20 2.17 0.00 -2.00 -2.10 103.07 101.98 1q3g h GLY 164 Ca -0.02 0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1q3g h GLY 164 CO 0.04 -0.04 0.25 0.00 0.00 0.00 0.00 176.54 176.79 1q3g h ALA 165 N 1.14 1.16 -0.79 3.60 0.00 -1.92 -1.37 119.26 121.09 1q3g h ALA 165 Ca 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1q3g h ALA 165 Cb 0.10 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1q3g h ALA 165 CO -0.14 0.60 0.45 1.15 0.00 0.00 0.00 179.25 181.31 1q3g h THR 166 N 0.99 1.23 -0.16 0.00 2.02 -1.10 -1.46 112.91 114.44 1q3g h THR 166 Ca 0.23 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 1q3g h THR 166 Cb 0.22 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 1q3g h THR 166 CO -0.02 0.25 0.05 0.58 0.37 0.00 0.00 175.52 176.75 1q3g h VAL 167 N 1.08 1.19 0.17 3.16 2.07 -0.89 -0.31 116.25 122.72 1q3g h VAL 167 Ca 0.28 -0.59 0.01 0.00 0.82 0.00 0.00 66.70 67.22 1q3g h VAL 167 Cb 0.00 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1q3g h VAL 167 CO -0.05 0.18 -0.22 0.74 0.02 0.00 0.00 177.57 178.25 1q3g h THR 168 N 0.07 0.52 -0.05 2.57 2.02 -1.05 -0.18 112.91 116.81 1q3g h THR 168 Ca 0.05 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.23 1q3g h THR 168 Cb 0.24 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1q3g h THR 168 CO -0.00 0.00 0.02 0.40 0.37 0.00 0.00 175.52 176.31 1q3g h ILE 169 N -0.44 1.12 -0.80 3.11 2.04 -1.26 -1.55 117.51 119.72 1q3g h ILE 169 Ca 0.01 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.56 1q3g h ILE 169 Cb 0.43 1.26 -0.05 0.00 -0.74 0.00 0.00 36.82 37.72 1q3g h ILE 169 CO -0.08 0.10 0.51 -0.03 0.00 0.00 0.00 178.15 178.65 1q3g h MET 170 N -0.05 0.96 0.06 2.37 4.05 -0.97 -0.60 114.93 120.75 1q3g h MET 170 Ca 0.02 -0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 59.38 1q3g h MET 170 Cb 0.14 -0.22 0.00 0.00 -0.80 0.00 0.00 31.60 30.72 1q3g h MET 170 CO -0.00 0.64 -0.03 0.77 0.23 0.00 0.00 176.91 178.51 1q3g h SER 171 N 0.99 -0.07 -0.64 1.39 0.02 -0.88 -3.08 113.55 111.28 1q3g h SER 171 Ca 0.32 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1q3g h SER 171 Cb 0.03 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 1q3g h SER 171 CO -0.12 0.16 0.36 0.00 -1.14 0.00 0.00 176.83 176.08 1q3g h ALA 172 N 0.62 1.39 0.00 3.77 0.00 -1.07 -2.60 119.26 121.37 1q3g h ALA 172 Ca -0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1q3g h ALA 172 Cb 0.26 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1q3g h ALA 172 CO 0.01 0.50 -0.07 0.00 0.00 0.00 0.00 179.25 179.69 1q3g h ALA 173 N 1.48 1.49 -0.33 0.00 0.00 -1.03 -2.88 119.26 117.98 1q3g h ALA 173 Ca 0.23 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.15 1q3g h ALA 173 Cb 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1q3g h ALA 173 CO -0.04 0.09 0.23 1.79 0.00 0.00 0.00 179.25 181.32 1q3g h THR 174 N 0.00 0.90 -0.54 0.00 1.35 -1.39 -0.83 112.91 112.41 1q3g h THR 174 Ca -0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 1q3g h THR 174 Cb 0.18 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 67.35 1q3g h THR 174 CO 0.01 0.02 0.00 0.18 -0.25 0.00 0.00 175.52 175.48 1q3g n LEU 175 N -4.47 3.99 -4.88 3.87 4.77 -1.09 -0.66 117.00 118.53 1q3g n LEU 175 Ca 0.04 -2.30 -0.30 0.00 -0.03 0.00 0.00 56.01 53.42 1q3g n LEU 175 Cb 0.31 -0.46 0.04 0.00 -2.33 0.00 0.00 43.42 40.98 1q3g n LEU 175 CO 0.35 0.81 0.73 0.00 -1.33 0.00 0.00 177.39 177.95 1q3g s ALA 176 N -1.56 2.95 -0.47 -1.18 0.00 -0.32 -4.52 121.76 116.66 1q3g s ALA 176 Ca 0.42 -0.34 -0.19 0.00 0.00 0.00 0.00 51.96 51.85 1q3g s ALA 176 Cb 0.26 -3.00 0.04 0.00 0.00 0.00 0.00 23.12 20.42 1q3g s ALA 176 CO 0.22 -1.06 0.59 -2.00 0.00 0.00 0.00 175.76 173.52 1q3g s GLU 177 N -5.31 3.16 0.00 0.00 2.12 0.25 -3.85 118.70 115.06 1q3g s GLU 177 Ca 0.57 -0.74 0.00 0.00 0.36 0.00 0.00 54.97 55.17 1q3g s GLU 177 Cb -0.11 -4.04 0.00 0.00 0.26 0.00 0.00 34.13 30.24 1q3g s GLU 177 CO 0.51 -1.10 0.00 0.41 -0.54 0.00 0.00 175.26 174.55 1q3g n GLY 178 N 5.13 -0.74 3.60 -1.50 0.00 -1.26 -1.17 105.19 109.24 1q3g n GLY 178 Ca -0.05 -2.16 -0.34 0.00 0.00 0.00 0.00 46.02 43.47 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 4.07 0.00 2.61 2.01 -1.26 -0.99 115.64 122.09 1q3g s THR 179 Ca 0.00 -0.32 0.05 0.00 0.31 0.00 0.00 61.69 61.73 1q3g s THR 179 Cb 0.00 -2.73 -0.03 0.00 0.01 0.00 0.00 72.50 69.75 1q3g s THR 179 CO 0.00 0.56 -0.15 -0.89 -0.69 0.00 0.00 174.62 173.45 1q3g s THR 180 N -0.36 3.04 -0.09 -0.82 2.01 0.14 -2.74 115.64 116.81 1q3g s THR 180 Ca 0.06 -0.95 -0.01 0.00 0.31 0.00 0.00 61.69 61.11 1q3g s THR 180 Cb -0.12 -2.26 0.03 0.00 0.01 0.00 0.00 72.50 70.15 1q3g s THR 180 CO 0.02 0.44 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.71 1q3g s ILE 181 N -0.87 0.74 -0.36 1.82 1.01 -0.52 -0.34 121.20 122.67 1q3g s ILE 181 Ca 0.14 -0.12 -0.12 0.00 0.00 0.00 0.00 60.65 60.55 1q3g s ILE 181 Cb -0.11 -0.81 0.01 0.00 0.01 0.00 0.00 42.46 41.56 1q3g s ILE 181 CO 0.04 0.32 0.22 -0.63 0.00 0.00 0.00 174.94 174.89 1q3g s ILE 182 N 1.70 4.88 0.09 2.92 1.01 0.92 -0.57 121.20 132.16 1q3g s ILE 182 Ca 0.03 -0.59 -0.19 0.00 0.00 0.00 0.00 60.65 59.91 1q3g s ILE 182 Cb -0.13 -3.63 -0.07 0.00 0.01 0.00 0.00 42.46 38.65 1q3g s ILE 182 CO -0.06 -0.14 0.57 -1.61 0.00 0.00 0.00 174.94 173.70 1q3g s GLU 183 N 1.63 4.17 -1.27 2.79 0.41 0.68 -1.59 118.70 125.52 1q3g s GLU 183 Ca 0.04 0.70 -0.08 0.00 -0.41 0.00 0.00 54.97 55.22 1q3g s GLU 183 Cb -0.18 -3.18 0.01 0.00 -1.78 0.00 0.00 34.13 28.99 1q3g s GLU 183 CO 0.08 0.61 1.11 -1.71 -0.49 0.00 0.00 175.26 174.86 1q3g n ASN 184 N 1.56 -6.03 -4.80 -0.19 5.15 0.98 -1.56 115.26 110.37 1q3g n ASN 184 Ca -0.09 -0.51 -0.32 0.00 -0.60 0.00 0.00 54.58 53.06 1q3g n ASN 184 Cb 0.51 -4.74 0.04 0.00 -0.53 0.00 0.00 39.78 35.06 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 -3.30 2.63 0.33 5.20 0.00 -0.88 -4.64 121.76 121.11 1q3g s ALA 185 Ca 0.54 0.31 -0.27 0.00 0.00 0.00 0.00 51.96 52.54 1q3g s ALA 185 Cb -0.24 -3.23 -0.09 0.00 0.00 0.00 0.00 23.12 19.56 1q3g s ALA 185 CO 0.68 -1.10 1.10 0.00 0.00 0.00 0.00 175.76 176.45 1q3g s ALA 186 N -2.66 3.28 -2.38 0.00 0.00 -1.26 -4.48 121.76 114.27 1q3g s ALA 186 Ca 0.62 0.87 0.22 0.00 0.00 0.00 0.00 51.96 53.67 1q3g s ALA 186 Cb -0.16 -3.32 0.37 0.00 0.00 0.00 0.00 23.12 20.00 1q3g s ALA 186 CO 0.45 -0.25 1.34 0.54 0.00 0.00 0.00 175.76 177.84 1q3g n ARG 187 N 0.66 2.38 -1.47 0.00 3.00 -1.26 -4.63 116.66 115.34 1q3g n ARG 187 Ca 0.01 -2.17 -0.43 0.00 -0.01 0.00 0.00 57.85 55.25 1q3g n ARG 187 Cb 0.46 -1.48 -0.00 0.00 0.00 0.00 0.00 32.46 31.44 1q3g n ARG 187 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1q3g n GLU 188 N 1.38 0.62 -0.17 5.56 4.71 -1.26 -4.58 120.64 126.90 1q3g n GLU 188 Ca 0.18 0.22 0.15 0.00 -0.01 0.00 0.00 57.16 57.70 1q3g n GLU 188 Cb 0.58 -1.48 0.50 0.00 -1.01 0.00 0.00 31.44 30.02 1q3g n GLU 188 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 1q3g h PRO 189 N 1.02 0.42 -0.21 3.49 0.11 -1.96 0.36 132.00 135.23 1q3g h PRO 189 Ca -0.38 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.65 1q3g h PRO 189 Cb 1.40 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 1q3g h PRO 189 CO 0.54 0.27 -0.09 0.93 -0.21 0.00 0.00 178.00 179.44 1q3g h GLU 190 N 0.43 0.33 -0.34 1.05 3.07 -1.88 -0.32 114.58 116.91 1q3g h GLU 190 Ca 0.37 -0.07 -0.04 0.00 -0.50 0.00 0.00 59.36 59.12 1q3g h GLU 190 Cb 0.83 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.68 1q3g h GLU 190 CO -0.12 0.43 0.06 0.82 -1.40 0.00 0.00 179.01 178.80 1q3g h ILE 191 N 0.31 1.24 -0.68 3.13 1.08 -1.24 0.19 117.51 121.54 1q3g h ILE 191 Ca 0.07 -0.83 -0.00 0.00 -0.39 0.00 0.00 64.86 63.70 1q3g h ILE 191 Cb 0.36 1.12 -0.03 0.00 -3.07 0.00 0.00 36.82 35.19 1q3g h ILE 191 CO 0.02 0.28 0.42 0.58 -0.69 0.00 0.00 178.15 178.75 1q3g h VAL 192 N 0.40 1.19 -0.49 1.67 2.07 -1.18 0.55 116.25 120.47 1q3g h VAL 192 Ca 0.10 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.14 1q3g h VAL 192 Cb 0.35 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1q3g h VAL 192 CO 0.01 0.20 0.04 -0.78 0.02 0.00 0.00 177.57 177.05 1q3g h ASP 193 N 0.92 0.82 -0.58 0.57 3.58 -0.71 -0.87 116.42 120.15 1q3g h ASP 193 Ca 0.24 -0.28 -0.10 0.00 0.42 0.00 0.00 57.03 57.31 1q3g h ASP 193 Cb -0.04 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.77 1q3g h ASP 193 CO -0.05 0.90 -0.01 0.74 -2.88 0.00 0.00 179.24 177.95 1q3g h THR 194 N 0.71 1.26 -0.26 2.25 2.02 -0.36 -1.73 112.91 116.80 1q3g h THR 194 Ca 0.14 -1.15 -0.00 0.00 0.77 0.00 0.00 66.41 66.18 1q3g h THR 194 Cb 0.46 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 1q3g h THR 194 CO 0.02 0.42 0.16 0.00 0.37 0.00 0.00 175.52 176.49 1q3g h ALA 195 N 1.03 0.34 -0.01 6.16 0.00 -0.65 -1.54 119.26 124.59 1q3g h ALA 195 Ca 0.17 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1q3g h ALA 195 Cb 0.55 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1q3g h ALA 195 CO 0.03 -0.17 -0.28 -0.91 0.00 0.00 0.00 179.25 177.92 1q3g h ASN 196 N 0.34 0.02 -0.13 0.00 2.35 -1.00 -0.68 115.58 116.48 1q3g h ASN 196 Ca 0.10 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 1q3g h ASN 196 Cb -0.00 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 1q3g h ASN 196 CO -0.02 0.30 -0.01 0.15 -1.65 0.00 0.00 177.43 176.20 1q3g h PHE 197 N 0.02 0.25 -0.54 1.19 3.57 -0.91 -0.94 116.94 119.58 1q3g h PHE 197 Ca 0.00 -0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.48 1q3g h PHE 197 Cb 0.50 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.14 1q3g h PHE 197 CO 0.00 0.48 0.32 -0.07 -2.23 0.00 0.00 178.31 176.81 1q3g h LEU 198 N -0.05 0.52 -1.47 0.59 3.38 -0.83 -0.78 115.31 116.67 1q3g h LEU 198 Ca 0.03 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1q3g h LEU 198 Cb 0.39 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1q3g h LEU 198 CO 0.01 0.36 0.40 0.58 0.09 0.00 0.00 178.44 179.88 1q3g h VAL 199 N 0.64 1.07 -0.00 1.22 2.07 -0.98 0.52 116.25 120.78 1q3g h VAL 199 Ca 0.22 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 1q3g h VAL 199 Cb 0.04 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1q3g h VAL 199 CO -0.10 0.13 -0.28 0.00 0.02 0.00 0.00 177.57 177.33 1q3g h ALA 200 N 1.65 1.52 -0.00 1.67 0.00 0.27 -1.23 119.26 123.15 1q3g h ALA 200 Ca 0.24 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1q3g h ALA 200 Cb 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1q3g h ALA 200 CO -0.07 0.36 -0.03 1.28 0.00 0.00 0.00 179.25 180.79 1q3g n LEU 201 N -4.20 0.15 0.00 0.00 4.77 0.07 -4.82 117.00 112.97 1q3g n LEU 201 Ca -0.02 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1q3g n LEU 201 Cb 0.33 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1q3g n LEU 201 CO 0.38 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1q3g n GLY 202 N 1.25 0.99 3.75 -0.72 0.00 -0.47 -0.34 105.19 109.65 1q3g n GLY 202 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 2.12 -0.36 4.61 0.00 -0.59 -4.95 121.76 120.59 1q3g s ALA 203 Ca 0.00 0.36 -0.01 0.00 0.00 0.00 0.00 51.96 52.32 1q3g s ALA 203 Cb 0.00 -3.31 0.09 0.00 0.00 0.00 0.00 23.12 19.90 1q3g s ALA 203 CO 0.00 -1.93 0.10 0.15 0.00 0.00 0.00 175.76 174.08 1q3g s LYS 204 N -4.78 1.97 0.03 0.00 1.02 -1.26 -4.27 119.74 112.45 1q3g s LYS 204 Ca 0.63 -1.69 0.03 0.00 0.02 0.00 0.00 55.97 54.96 1q3g s LYS 204 Cb -0.19 -3.36 -0.02 0.00 -0.52 0.00 0.00 37.83 33.74 1q3g s LYS 204 CO 0.55 -0.91 -0.09 0.42 -0.92 0.00 0.00 175.35 174.41 1q3g s ILE 205 N 1.10 0.64 0.03 2.17 1.01 -1.26 -1.55 121.20 123.33 1q3g s ILE 205 Ca 0.05 -0.85 -0.15 0.00 0.00 0.00 0.00 60.65 59.70 1q3g s ILE 205 Cb -0.21 -0.63 0.02 0.00 0.01 0.00 0.00 42.46 41.65 1q3g s ILE 205 CO -0.05 -0.18 0.32 -0.94 0.00 0.00 0.00 174.94 174.10 1q3g s SER 206 N -1.13 -0.17 0.00 3.58 1.04 -0.53 -4.91 113.70 111.58 1q3g s SER 206 Ca -0.04 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.31 1q3g s SER 206 Cb -0.08 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1q3g s SER 206 CO 0.00 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.26 1q3g n GLY 207 N 0.76 0.80 3.65 7.32 0.00 -1.26 -0.54 105.19 115.91 1q3g n GLY 207 Ca -0.19 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.36 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 1.81 0.00 1.61 0.00 -1.26 -0.40 117.38 117.13 1q3g n GLN 208 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 57.00 57.65 1q3g n GLN 208 Cb 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 30.24 27.94 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 2.43 1.75 3.85 2.61 0.00 -1.26 -4.90 105.19 109.67 1q3g n GLY 209 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.43 1.57 -1.91 2.61 -4.23 0.46 -4.74 115.64 106.96 1q3g s THR 210 Ca 0.00 -1.65 0.05 0.00 -1.18 0.00 0.00 61.69 58.91 1q3g s THR 210 Cb 0.00 -2.21 0.16 0.00 1.34 0.00 0.00 72.50 71.78 1q3g s THR 210 CO 0.00 0.00 1.10 -0.90 -0.54 0.00 0.00 174.62 174.28 1q3g n ASP 211 N -1.58 1.01 -3.59 3.99 5.68 -1.26 -4.57 116.55 116.22 1q3g n ASP 211 Ca -0.07 -2.02 -0.25 0.00 -0.50 0.00 0.00 54.79 51.96 1q3g n ASP 211 Cb 0.65 -0.15 -0.16 0.00 -1.14 0.00 0.00 41.12 40.32 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 -1.74 0.07 -0.16 0.11 3.52 -1.25 -0.02 118.95 119.49 1q3g s ARG 212 Ca 0.12 -0.02 -0.05 0.00 -0.13 0.00 0.00 55.73 55.65 1q3g s ARG 212 Cb 0.06 -1.68 -0.03 0.00 -1.56 0.00 0.00 34.95 31.74 1q3g s ARG 212 CO 0.08 -0.65 0.00 0.42 -0.81 0.00 0.00 175.30 174.34 1q3g s ILE 213 N 2.17 4.28 -0.16 4.11 1.01 -0.62 -4.43 121.20 127.56 1q3g s ILE 213 Ca 0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 60.65 60.45 1q3g s ILE 213 Cb -0.16 -2.89 -0.01 0.00 0.01 0.00 0.00 42.46 39.42 1q3g s ILE 213 CO -0.09 0.49 -0.12 -0.89 0.00 0.00 0.00 174.94 174.33 1q3g s THR 214 N 0.22 2.96 -0.09 2.92 2.01 0.29 -0.05 115.64 123.91 1q3g s THR 214 Ca 0.00 -0.67 0.04 0.00 0.31 0.00 0.00 61.69 61.37 1q3g s THR 214 Cb -0.13 -2.27 0.00 0.00 0.01 0.00 0.00 72.50 70.11 1q3g s THR 214 CO 0.02 0.50 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.61 1q3g s ILE 215 N 0.79 1.81 -0.32 1.82 1.09 0.53 -1.46 121.20 125.47 1q3g s ILE 215 Ca -0.05 -0.88 -0.03 0.00 -1.10 0.00 0.00 60.65 58.59 1q3g s ILE 215 Cb -0.15 -1.58 0.05 0.00 -1.06 0.00 0.00 42.46 39.72 1q3g s ILE 215 CO 0.01 0.51 0.05 -0.70 -0.10 0.00 0.00 174.94 174.70 1q3g s GLU 216 N 0.39 2.48 0.78 2.79 2.12 -0.59 0.24 118.70 126.90 1q3g s GLU 216 Ca -0.17 -1.26 -0.15 0.00 0.36 0.00 0.00 54.97 53.75 1q3g s GLU 216 Cb -0.17 -3.30 0.00 0.00 0.26 0.00 0.00 34.13 30.92 1q3g s GLU 216 CO 0.07 -0.66 0.70 0.41 -0.54 0.00 0.00 175.26 175.24 1q3g n GLY 217 N 4.69 -1.17 3.25 -1.50 0.00 -0.16 -4.13 105.19 106.17 1q3g n GLY 217 Ca -0.12 -0.46 -0.14 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 -2.02 0.64 0.14 1.61 -7.23 0.16 -4.73 120.40 108.98 1q3g s VAL 218 Ca 0.67 -1.98 -0.14 0.00 -1.81 0.00 0.00 61.98 58.71 1q3g s VAL 218 Cb -0.31 -2.22 0.01 0.00 0.56 0.00 0.00 36.38 34.42 1q3g s VAL 218 CO 0.57 -0.38 1.62 -0.33 -0.31 0.00 0.00 175.10 176.27 1q3g h GLU 219 N 2.64 0.75 -3.32 4.82 5.08 -1.91 -3.40 114.58 119.24 1q3g h GLU 219 Ca -0.37 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 57.77 1q3g h GLU 219 Cb 1.21 -0.09 -0.10 0.00 0.50 0.00 0.00 28.75 30.27 1q3g h GLU 219 CO 0.62 0.77 0.01 -0.98 -1.00 0.00 0.00 179.01 178.43 1q3g s ARG 220 N -5.20 1.35 -0.03 2.33 1.70 -1.26 -4.99 118.95 112.84 1q3g s ARG 220 Ca -0.13 -0.86 0.04 0.00 -0.47 0.00 0.00 55.73 54.32 1q3g s ARG 220 Cb 0.11 0.51 -0.03 0.00 -0.57 0.00 0.00 34.95 34.97 1q3g s ARG 220 CO 0.79 -0.57 -0.13 -0.51 -1.08 0.00 0.00 175.30 173.80 1q3g s LEU 221 N -2.87 2.80 0.00 -1.89 1.43 -1.26 -4.87 118.68 112.01 1q3g s LEU 221 Ca 0.09 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 1q3g s LEU 221 Cb -0.01 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.62 1q3g s LEU 221 CO -0.04 0.32 0.00 0.61 0.23 0.00 0.00 176.35 177.48 1q3g n GLY 222 N 2.08 0.67 0.00 -3.19 0.00 0.53 -1.38 105.19 103.91 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 4.17 0.00 -0.02 0.00 -1.25 -2.44 105.19 110.65 1q3g n GLY 223 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.67 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 2.97 -0.02 0.00 -1.07 -4.51 105.19 102.52 1q3g n GLY 224 Ca 0.00 -1.54 -0.24 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.69 0.97 -0.01 1.61 1.01 -1.26 -0.44 120.40 119.59 1q3g s VAL 225 Ca 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.63 1q3g s VAL 225 Cb 0.00 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.47 1q3g s VAL 225 CO 0.00 0.33 -0.02 -0.47 0.00 0.00 0.00 175.10 174.94 1q3g s TYR 226 N 0.90 0.26 -0.26 5.22 5.04 -0.45 -4.99 117.35 123.07 1q3g s TYR 226 Ca -0.11 -0.03 -0.09 0.00 -2.44 0.00 0.00 57.07 54.41 1q3g s TYR 226 Cb -0.15 -0.24 -0.04 0.00 0.35 0.00 0.00 41.96 41.89 1q3g s TYR 226 CO 0.01 -0.04 0.12 0.50 -1.34 0.00 0.00 175.55 174.80 1q3g s ARG 227 N 0.29 3.77 0.40 4.97 3.52 -1.26 0.31 118.95 130.95 1q3g s ARG 227 Ca -0.03 -0.42 -0.27 0.00 -0.13 0.00 0.00 55.73 54.89 1q3g s ARG 227 Cb -0.05 -3.47 -0.10 0.00 -1.56 0.00 0.00 34.95 29.78 1q3g s ARG 227 CO -0.01 -0.19 1.40 0.08 -0.81 0.00 0.00 175.30 175.78 1q3g s VAL 228 N 1.67 2.28 0.83 7.11 1.01 -0.35 -4.93 120.40 128.02 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 -0.15 -3.16 0.09 0.00 0.00 0.00 0.00 36.38 33.15 1q3g s VAL 228 CO 0.07 0.05 1.09 -1.48 0.00 0.00 0.00 175.10 174.83 1q3g s LEU 229 N -2.28 2.54 0.57 3.92 2.34 -1.26 -4.71 118.68 119.79 1q3g s LEU 229 Ca 0.55 1.47 -0.21 0.00 0.06 0.00 0.00 54.13 56.00 1q3g s LEU 229 Cb -0.43 -4.03 -0.04 0.00 -0.56 0.00 0.00 46.19 41.13 1q3g s LEU 229 CO 0.57 -2.22 1.36 -2.84 -1.06 0.00 0.00 176.35 172.15 1q3g s PRO 230 N -5.02 3.01 -0.63 1.48 0.02 -1.26 -0.46 135.00 132.13 1q3g s PRO 230 Ca 0.62 2.22 -0.28 0.00 0.02 0.00 0.00 61.00 63.58 1q3g s PRO 230 Cb -0.16 -2.18 0.03 0.00 0.02 0.00 0.00 34.50 32.21 1q3g s PRO 230 CO 0.56 -1.29 1.26 0.34 -0.33 0.00 0.00 177.00 177.53 1q3g s ASP 231 N -1.01 6.30 0.48 2.53 -1.08 -0.55 -4.28 116.67 119.05 1q3g s ASP 231 Ca 0.74 -0.04 0.20 0.00 -0.52 0.00 0.00 52.55 52.93 1q3g s ASP 231 Cb -0.40 -2.55 1.21 0.00 -1.46 0.00 0.00 42.92 39.71 1q3g s ASP 231 CO 0.47 -1.64 2.03 0.08 0.52 0.00 0.00 175.17 176.63 1q3g h ARG 232 N 9.96 0.00 -0.03 4.34 0.11 -1.91 -2.01 114.38 124.84 1q3g h ARG 232 Ca -0.26 0.00 -0.23 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 1.22 0.16 -0.92 0.82 0.10 0.00 0.00 179.97 181.35 1q3g h ILE 233 N 0.00 1.36 -0.37 0.08 1.08 -1.96 -0.31 117.51 117.40 1q3g h ILE 233 Ca -0.00 -2.32 -0.04 0.00 -0.39 0.00 0.00 64.86 62.12 1q3g h ILE 233 Cb 0.34 2.32 -0.02 0.00 -3.07 0.00 0.00 36.82 36.40 1q3g h ILE 233 CO 0.02 0.70 0.09 -0.08 -0.69 0.00 0.00 178.15 178.20 1q3g h GLU 234 N 0.30 0.59 0.02 2.37 4.81 -1.85 0.48 114.58 121.30 1q3g h GLU 234 Ca -0.08 -0.14 0.02 0.00 -0.13 0.00 0.00 59.36 59.03 1q3g h GLU 234 Cb 1.55 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.82 1q3g h GLU 234 CO 0.17 0.63 -0.15 1.15 -0.73 0.00 0.00 179.01 180.08 1q3g h THR 235 N 0.45 0.65 -0.47 0.32 2.02 -1.30 -1.40 112.91 113.18 1q3g h THR 235 Ca 0.12 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.31 1q3g h THR 235 Cb 0.30 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1q3g h THR 235 CO 0.00 0.00 0.31 1.23 0.37 0.00 0.00 175.52 177.44 1q3g h GLY 236 N -0.25 0.65 0.90 2.16 0.00 -0.80 -1.14 103.07 104.60 1q3g h GLY 236 Ca 0.04 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 1q3g h GLY 236 CO -0.13 0.23 0.09 -0.84 0.00 0.00 0.00 176.54 175.89 1q3g h THR 237 N 0.62 1.21 -0.10 4.70 2.02 0.00 -1.39 112.91 119.97 1q3g h THR 237 Ca 0.18 -0.70 -0.13 0.00 0.77 0.00 0.00 66.41 66.52 1q3g h THR 237 Cb -0.03 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1q3g h THR 237 CO -0.04 0.24 -0.52 -0.26 0.37 0.00 0.00 175.52 175.31 1q3g h PHE 238 N 0.35 0.32 -0.46 3.16 -1.00 -0.81 -0.76 116.94 117.75 1q3g h PHE 238 Ca 0.10 -0.11 -0.08 0.00 2.81 0.00 0.00 57.97 60.70 1q3g h PHE 238 Cb 0.27 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 39.75 1q3g h PHE 238 CO 0.01 0.73 -0.02 -0.07 -1.61 0.00 0.00 178.31 177.35 1q3g h LEU 239 N 0.21 0.74 -0.72 1.54 3.38 -1.06 -1.71 115.31 117.69 1q3g h LEU 239 Ca 0.01 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.66 1q3g h LEU 239 Cb 0.99 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1q3g h LEU 239 CO 0.08 0.83 -0.51 0.58 0.09 0.00 0.00 178.44 179.51 1q3g h VAL 240 N 0.72 1.34 -0.62 1.22 2.07 -0.93 -1.52 116.25 118.54 1q3g h VAL 240 Ca 0.14 -1.76 0.07 0.00 0.82 0.00 0.00 66.70 65.97 1q3g h VAL 240 Cb 0.47 1.81 -0.06 0.00 -1.52 0.00 0.00 31.29 31.99 1q3g h VAL 240 CO 0.02 0.53 0.29 0.00 0.02 0.00 0.00 177.57 178.43 1q3g h ALA 241 N 1.20 0.81 -0.09 1.67 0.00 -0.25 -1.37 119.26 121.24 1q3g h ALA 241 Ca 0.01 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1q3g h ALA 241 Cb 0.99 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1q3g h ALA 241 CO 0.08 -0.09 -0.15 0.00 0.00 0.00 0.00 179.25 179.10 1q3g h ALA 242 N 1.37 0.13 -0.63 0.00 0.00 -1.22 -3.09 119.26 115.83 1q3g h ALA 242 Ca 0.29 -0.34 0.13 0.00 0.00 0.00 0.00 54.91 54.99 1q3g h ALA 242 Cb 0.27 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1q3g h ALA 242 CO -0.23 0.04 0.43 0.00 0.00 0.00 0.00 179.25 179.48 1q3g h ALA 243 N 0.51 2.21 -0.00 0.00 0.00 -0.85 -1.74 119.26 119.38 1q3g h ALA 243 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1q3g h ALA 243 Cb 0.72 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1q3g h ALA 243 CO 0.03 -0.37 -0.53 0.44 0.00 0.00 0.00 179.25 178.82 1q3g n ILE 244 N -4.44 0.00 -0.77 0.00 -5.35 -0.55 -4.12 119.36 104.12 1q3g n ILE 244 Ca 0.11 -0.07 0.07 0.00 -0.27 0.00 0.00 62.75 62.60 1q3g n ILE 244 Cb 0.50 0.59 0.16 0.00 -1.74 0.00 0.00 39.64 39.16 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 -1.06 2.93 -0.14 7.28 3.41 -0.71 -4.94 113.62 120.39 1q3g n SER 245 Ca 0.08 -2.76 -0.02 0.00 -0.26 0.00 0.00 58.87 55.91 1q3g n SER 245 Cb 0.36 -0.38 -0.01 0.00 -0.26 0.00 0.00 64.21 63.92 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 -0.71 0.20 0.34 5.00 0.00 -0.97 -4.33 105.19 104.73 1q3g n GLY 246 Ca 0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 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 0.64 -0.01 3.02 -0.02 0.00 -0.87 -1.72 105.19 106.23 1q3g n GLY 247 Ca -0.02 -1.85 -0.15 0.00 0.00 0.00 0.00 46.02 44.00 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 -2.88 0.54 0.08 1.61 2.20 -1.25 -1.38 119.74 118.66 1q3g s LYS 248 Ca 0.06 -0.48 -0.14 0.00 -0.36 0.00 0.00 55.97 55.06 1q3g s LYS 248 Cb -0.00 -0.44 0.02 0.00 -1.51 0.00 0.00 37.83 35.90 1q3g s LYS 248 CO 0.04 0.11 0.32 -1.50 -0.36 0.00 0.00 175.35 173.96 1q3g s ILE 249 N -0.69 0.09 -0.09 5.43 2.07 0.11 -1.69 121.20 126.42 1q3g s ILE 249 Ca -0.03 -0.72 0.00 0.00 -1.41 0.00 0.00 60.65 58.49 1q3g s ILE 249 Cb -0.06 -1.09 0.02 0.00 0.13 0.00 0.00 42.46 41.47 1q3g s ILE 249 CO 0.00 -0.40 -0.07 -0.69 -1.91 0.00 0.00 174.94 171.87 1q3g s VAL 250 N -3.16 0.92 -0.26 4.00 1.01 -0.62 -0.43 120.40 121.86 1q3g s VAL 250 Ca -0.01 -0.27 -0.12 0.00 0.00 0.00 0.00 61.98 61.59 1q3g s VAL 250 Cb 0.01 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 1q3g s VAL 250 CO -0.07 0.33 0.22 0.00 0.00 0.00 0.00 175.10 175.59 1q3g s ARG 252 N 1.52 3.52 -1.31 0.00 1.81 0.55 -2.12 118.95 122.91 1q3g s ARG 252 Ca 0.09 -0.33 -0.07 0.00 -1.72 0.00 0.00 55.73 53.70 1q3g s ARG 252 Cb -0.15 -2.75 0.01 0.00 -0.45 0.00 0.00 34.95 31.61 1q3g s ARG 252 CO 0.08 0.28 0.90 0.09 -0.68 0.00 0.00 175.30 175.97 1q3g n ASN 253 N -1.20 -5.94 -4.94 0.23 4.13 -0.84 -0.97 115.26 105.73 1q3g n ASN 253 Ca -0.05 -0.41 -0.19 0.00 1.68 0.00 0.00 54.58 55.61 1q3g n ASN 253 Cb 0.55 -4.63 -0.01 0.00 -1.54 0.00 0.00 39.78 34.14 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 -3.23 4.19 -0.43 5.41 0.00 -0.17 -4.50 121.76 123.03 1q3g s ALA 254 Ca 0.44 -1.63 0.02 0.00 0.00 0.00 0.00 51.96 50.80 1q3g s ALA 254 Cb -0.20 -1.44 0.15 0.00 0.00 0.00 0.00 23.12 21.63 1q3g s ALA 254 CO 0.55 -0.12 0.28 -1.14 0.00 0.00 0.00 175.76 175.33 1q3g s GLN 255 N -4.17 1.06 0.32 0.00 0.74 -1.26 -4.09 119.66 112.25 1q3g s GLN 255 Ca 0.47 -1.94 0.07 0.00 0.05 0.00 0.00 55.36 54.01 1q3g s GLN 255 Cb -0.08 -1.87 0.89 0.00 1.10 0.00 0.00 33.01 33.05 1q3g s GLN 255 CO 0.30 -1.25 1.62 -1.35 -0.55 0.00 0.00 175.29 174.06 1q3g h PRO 256 N 6.42 0.14 0.00 1.67 0.11 -1.86 -2.13 132.00 136.35 1q3g h PRO 256 Ca 0.10 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1q3g h PRO 256 Cb 0.92 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1q3g h PRO 256 CO 0.41 0.09 0.00 -0.40 -0.21 0.00 0.00 178.00 177.89 1q3g n ASP 257 N -5.26 0.00 -0.78 -2.05 3.85 -1.26 -1.29 116.55 109.75 1q3g n ASP 257 Ca 0.26 0.48 0.11 0.00 -0.71 0.00 0.00 54.79 54.94 1q3g n ASP 257 Cb 0.85 -0.49 0.31 0.00 -1.35 0.00 0.00 41.12 40.45 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 -1.49 0.26 -1.71 2.12 -2.24 -0.80 -4.31 114.28 106.13 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 0.06 0.69 0.08 0.00 -2.10 0.00 0.00 70.33 69.06 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 0.79 1.39 -0.18 3.22 4.77 -0.41 -4.89 117.00 121.69 1q3g n LEU 259 Ca 0.17 -2.34 -0.02 0.00 -0.03 0.00 0.00 56.01 53.79 1q3g n LEU 259 Cb 0.45 -0.23 0.04 0.00 -2.33 0.00 0.00 43.42 41.35 1q3g n LEU 259 CO 0.14 0.63 0.74 0.44 -1.33 0.00 0.00 177.39 178.02 1q3g h ASP 260 N 0.33 -0.58 -0.17 -1.43 3.32 -1.75 0.91 116.42 117.04 1q3g h ASP 260 Ca -0.04 0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1q3g h ASP 260 Cb 1.28 0.37 -0.01 0.00 0.22 0.00 0.00 39.33 41.19 1q3g h ASP 260 CO 0.02 -0.20 0.11 0.00 -1.72 0.00 0.00 179.24 177.44 1q3g h ALA 261 N 1.49 0.21 -0.09 3.45 0.00 -1.87 -0.79 119.26 121.66 1q3g h ALA 261 Ca 0.27 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1q3g h ALA 261 Cb 0.43 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1q3g h ALA 261 CO -0.58 -0.31 0.05 0.28 0.00 0.00 0.00 179.25 178.68 1q3g h VAL 262 N 0.22 1.09 -0.82 0.00 2.07 -1.68 -1.68 116.25 115.45 1q3g h VAL 262 Ca 0.06 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 1q3g h VAL 262 Cb -0.02 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1q3g h VAL 262 CO -0.02 0.08 0.49 -0.07 0.02 0.00 0.00 177.57 178.07 1q3g h LEU 263 N 0.05 0.98 -0.69 2.57 3.38 -0.78 -0.00 115.31 120.82 1q3g h LEU 263 Ca 0.03 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1q3g h LEU 263 Cb 0.08 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1q3g h LEU 263 CO -0.00 0.75 0.31 0.00 0.09 0.00 0.00 178.44 179.58 1q3g h ALA 264 N 1.42 0.89 -0.26 1.53 0.00 -0.92 -1.11 119.26 120.81 1q3g h ALA 264 Ca 0.29 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 1q3g h ALA 264 Cb -0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1q3g h ALA 264 CO -0.06 0.48 -0.40 -0.22 0.00 0.00 0.00 179.25 179.06 1q3g h LYS 265 N 0.97 0.60 -0.52 0.00 1.63 -0.72 -1.96 116.57 116.58 1q3g h LYS 265 Ca 0.23 -0.30 -0.09 0.00 -0.85 0.00 0.00 60.65 59.64 1q3g h LYS 265 Cb 0.16 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.77 1q3g h LYS 265 CO -0.02 0.89 -0.06 -0.07 -3.45 0.00 0.00 179.45 176.74 1q3g h LEU 266 N 0.49 0.90 -0.65 5.20 3.38 -0.66 -1.69 115.31 122.28 1q3g h LEU 266 Ca 0.04 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 1q3g h LEU 266 Cb 0.91 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 1q3g h LEU 266 CO 0.08 0.99 0.20 0.03 0.09 0.00 0.00 178.44 179.83 1q3g h ARG 267 N 0.83 1.00 0.00 1.13 3.08 -0.99 -1.18 114.38 118.26 1q3g h ARG 267 Ca 0.14 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1q3g h ARG 267 Cb 0.57 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 1q3g h ARG 267 CO 0.03 0.88 -0.01 0.93 -1.07 0.00 0.00 179.97 180.73 1q3g h GLU 268 N 0.93 0.00 0.00 0.04 5.08 -0.94 0.15 114.58 119.84 1q3g h GLU 268 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1q3g h GLU 268 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1q3g h GLU 268 CO -0.01 0.01 -0.05 0.00 -1.00 0.00 0.00 179.01 177.97 1q3g n ALA 269 N -2.46 2.44 0.00 3.43 0.00 -0.55 -4.75 120.51 118.62 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 0.10 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.11 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 1.49 1.15 3.79 0.00 0.00 0.53 0.24 105.19 112.40 1q3g n GLY 270 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 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 3.09 -0.50 4.61 0.00 -0.58 -4.88 121.76 121.49 1q3g s ALA 271 Ca 0.00 0.56 -0.16 0.00 0.00 0.00 0.00 51.96 52.36 1q3g s ALA 271 Cb 0.00 -3.21 0.09 0.00 0.00 0.00 0.00 23.12 20.00 1q3g s ALA 271 CO 0.00 -0.02 0.47 0.34 0.00 0.00 0.00 175.76 176.55 1q3g s ASP 272 N -1.78 6.17 -0.06 0.00 2.15 -0.32 -4.43 116.67 118.40 1q3g s ASP 272 Ca 0.58 -1.44 0.02 0.00 0.43 0.00 0.00 52.55 52.14 1q3g s ASP 272 Cb -0.17 -2.21 -0.03 0.00 -0.30 0.00 0.00 42.92 40.21 1q3g s ASP 272 CO 0.22 -0.77 -0.11 -0.63 -0.17 0.00 0.00 175.17 173.71 1q3g s ILE 273 N 1.79 3.34 0.00 4.11 1.01 -1.26 -1.29 121.20 128.90 1q3g s ILE 273 Ca 0.05 -0.62 -0.00 0.00 0.00 0.00 0.00 60.65 60.08 1q3g s ILE 273 Cb -0.26 -2.34 -0.01 0.00 0.01 0.00 0.00 42.46 39.87 1q3g s ILE 273 CO 0.06 0.59 0.00 -1.61 0.00 0.00 0.00 174.94 173.98 1q3g s GLU 274 N -0.73 0.12 0.19 2.79 2.02 -0.74 -5.00 118.70 117.34 1q3g s GLU 274 Ca 0.11 -0.20 0.08 0.00 0.02 0.00 0.00 54.97 54.98 1q3g s GLU 274 Cb -0.11 0.04 -0.05 0.00 0.10 0.00 0.00 34.13 34.12 1q3g s GLU 274 CO 0.01 -0.02 -0.15 0.95 0.02 0.00 0.00 175.26 176.07 1q3g s THR 275 N -0.51 1.72 0.00 3.63 -4.23 -1.26 -0.58 115.64 114.41 1q3g s THR 275 Ca -0.06 -2.12 0.00 0.00 -1.18 0.00 0.00 61.69 58.33 1q3g s THR 275 Cb -0.04 -1.97 0.00 0.00 1.34 0.00 0.00 72.50 71.84 1q3g s THR 275 CO -0.00 -0.54 0.00 0.61 -0.54 0.00 0.00 174.62 174.15 1q3g n GLY 276 N -0.19 5.77 0.29 3.99 0.00 0.47 -4.99 105.19 110.53 1q3g n GLY 276 Ca -0.09 -1.86 -0.09 0.00 0.00 0.00 0.00 46.02 43.98 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 1.02 -0.14 1.61 4.57 -2.01 -3.36 114.58 116.27 1q3g h GLU 277 Ca 0.00 -0.32 -0.20 0.00 -1.18 0.00 0.00 59.36 57.66 1q3g h GLU 277 Cb 0.00 -0.09 -0.39 0.00 -0.16 0.00 0.00 28.75 28.11 1q3g h GLU 277 CO 0.00 1.00 -1.06 -0.40 -1.18 0.00 0.00 179.01 177.38 1q3g n ASP 278 N -4.23 1.21 -3.61 1.04 3.85 -1.26 -4.72 116.55 108.82 1q3g n ASP 278 Ca 0.02 -2.04 -0.12 0.00 -0.71 0.00 0.00 54.79 51.94 1q3g n ASP 278 Cb 0.33 -0.36 -0.05 0.00 -1.35 0.00 0.00 41.12 39.69 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 -1.25 -0.28 -0.01 2.11 1.48 -1.26 -1.00 118.94 118.73 1q3g s TRP 279 Ca 0.32 0.11 0.01 0.00 -1.06 0.00 0.00 56.10 55.48 1q3g s TRP 279 Cb 0.37 0.29 0.01 0.00 -1.16 0.00 0.00 33.47 32.97 1q3g s TRP 279 CO -0.13 -0.67 -0.02 0.42 -4.06 0.00 0.00 176.95 172.49 1q3g s ILE 280 N -3.21 0.23 -0.02 0.66 1.01 -0.90 -0.39 121.20 118.58 1q3g s ILE 280 Ca -0.01 -0.07 0.06 0.00 0.00 0.00 0.00 60.65 60.63 1q3g s ILE 280 Cb 0.00 -0.24 -0.02 0.00 0.01 0.00 0.00 42.46 42.22 1q3g s ILE 280 CO -0.08 0.09 -0.21 -0.94 0.00 0.00 0.00 174.94 173.80 1q3g s SER 281 N 0.26 2.51 -0.04 3.58 1.04 0.26 -0.24 113.70 121.07 1q3g s SER 281 Ca -0.02 -0.39 0.01 0.00 0.48 0.00 0.00 55.95 56.03 1q3g s SER 281 Cb -0.05 -0.32 0.02 0.00 0.10 0.00 0.00 66.02 65.77 1q3g s SER 281 CO -0.01 0.26 -0.05 -0.22 0.98 0.00 0.00 173.24 174.20 1q3g s LEU 282 N -0.46 1.43 -0.09 2.42 0.20 0.43 -1.79 118.68 120.81 1q3g s LEU 282 Ca 0.07 -0.13 -0.00 0.00 0.69 0.00 0.00 54.13 54.76 1q3g s LEU 282 Cb -0.09 -0.45 0.02 0.00 -0.43 0.00 0.00 46.19 45.25 1q3g s LEU 282 CO -0.00 -0.03 -0.07 -0.62 -0.29 0.00 0.00 176.35 175.34 1q3g s ASP 283 N 0.76 1.87 0.05 3.68 -1.08 -0.41 0.04 116.67 121.57 1q3g s ASP 283 Ca -0.10 -0.24 0.24 0.00 -0.52 0.00 0.00 52.55 51.93 1q3g s ASP 283 Cb -0.13 -0.72 0.40 0.00 -1.46 0.00 0.00 42.92 41.01 1q3g s ASP 283 CO 0.00 -0.10 1.34 0.23 0.52 0.00 0.00 175.17 177.16 1q3g n MET 284 N 4.70 0.14 -3.71 4.34 2.81 -0.48 -1.17 117.12 123.76 1q3g n MET 284 Ca -0.14 0.03 -0.25 0.00 -1.81 0.00 0.00 57.70 55.53 1q3g n MET 284 Cb 0.50 -1.58 0.05 0.00 -0.71 0.00 0.00 33.22 31.49 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 -1.78 -2.42 -0.97 2.03 8.25 -1.26 -1.09 115.22 117.98 1q3g n HIS 285 Ca 0.04 0.94 0.00 0.00 -0.26 0.00 0.00 57.72 58.44 1q3g n HIS 285 Cb 0.39 -4.56 0.00 0.00 1.12 0.00 0.00 29.99 26.94 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 -1.71 0.07 3.81 -1.41 0.00 -0.70 -4.96 105.19 100.30 1q3g n GLY 286 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.66 4.23 0.31 1.61 -0.14 -0.25 -4.83 119.74 119.00 1q3g s LYS 287 Ca 0.00 0.80 -0.29 0.00 -1.36 0.00 0.00 55.97 55.13 1q3g s LYS 287 Cb 0.00 -3.03 -0.10 0.00 -1.68 0.00 0.00 37.83 33.03 1q3g s LYS 287 CO 0.00 0.49 1.14 0.50 -0.76 0.00 0.00 175.35 176.73 1q3g s ARG 288 N -1.65 4.51 0.60 1.68 3.52 -1.26 -4.39 118.95 121.96 1q3g s ARG 288 Ca 0.38 1.88 -0.17 0.00 -0.13 0.00 0.00 55.73 57.68 1q3g s ARG 288 Cb -0.18 -3.09 -0.03 0.00 -1.56 0.00 0.00 34.95 30.09 1q3g s ARG 288 CO 0.21 0.07 1.13 -1.25 -0.81 0.00 0.00 175.30 174.65 1q3g s PRO 289 N -1.63 3.03 -0.07 5.12 0.04 -1.26 -4.84 135.00 135.39 1q3g s PRO 289 Ca 0.47 1.55 -0.15 0.00 0.04 0.00 0.00 61.00 62.91 1q3g s PRO 289 Cb -0.33 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.19 1q3g s PRO 289 CO 0.43 -1.09 0.38 0.15 0.04 0.00 0.00 177.00 176.90 1q3g s LYS 290 N -3.65 4.05 0.34 4.56 -0.14 0.14 -0.31 119.74 124.73 1q3g s LYS 290 Ca 0.71 0.30 -0.28 0.00 -1.36 0.00 0.00 55.97 55.34 1q3g s LYS 290 Cb -0.23 -3.31 -0.12 0.00 -1.68 0.00 0.00 37.83 32.48 1q3g s LYS 290 CO 0.34 0.48 1.31 0.00 -0.76 0.00 0.00 175.35 176.72 1q3g n ALA 291 N 2.65 1.35 -2.39 5.17 0.00 -0.23 -4.31 120.51 122.75 1q3g n ALA 291 Ca -0.12 0.36 -0.20 0.00 0.00 0.00 0.00 53.44 53.48 1q3g n ALA 291 Cb 0.52 -2.26 -0.10 0.00 0.00 0.00 0.00 19.45 17.60 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 -1.04 1.45 -0.16 0.00 -7.23 -1.26 -4.87 120.40 107.29 1q3g s VAL 292 Ca 0.56 -2.10 -0.02 0.00 -1.81 0.00 0.00 61.98 58.61 1q3g s VAL 292 Cb -0.57 -2.37 -0.02 0.00 0.56 0.00 0.00 36.38 33.99 1q3g s VAL 292 CO 0.62 -0.34 -0.07 -0.89 -0.31 0.00 0.00 175.10 174.10 1q3g s THR 293 N -3.14 3.45 0.08 5.32 2.01 -1.26 -2.83 115.64 119.26 1q3g s THR 293 Ca 0.28 -0.51 0.06 0.00 0.31 0.00 0.00 61.69 61.84 1q3g s THR 293 Cb 0.04 -2.50 -0.03 0.00 0.01 0.00 0.00 72.50 70.02 1q3g s THR 293 CO 0.10 0.49 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.66 1q3g s VAL 294 N 0.61 1.39 -0.21 3.82 1.01 0.22 -4.98 120.40 122.26 1q3g s VAL 294 Ca -0.05 -1.35 -0.04 0.00 0.00 0.00 0.00 61.98 60.55 1q3g s VAL 294 Cb -0.15 -1.28 0.10 0.00 0.00 0.00 0.00 36.38 35.05 1q3g s VAL 294 CO 0.03 -0.09 0.23 -0.60 0.00 0.00 0.00 175.10 174.66 1q3g s ARG 295 N -1.68 0.20 0.63 2.72 3.52 -1.26 -0.12 118.95 122.97 1q3g s ARG 295 Ca 0.02 0.16 -0.17 0.00 -0.13 0.00 0.00 55.73 55.62 1q3g s ARG 295 Cb -0.10 -1.16 -0.02 0.00 -1.56 0.00 0.00 34.95 32.12 1q3g s ARG 295 CO 0.03 -0.69 1.17 0.95 -0.81 0.00 0.00 175.30 175.94 1q3g s THR 296 N 2.33 2.81 0.03 4.11 -4.23 -0.43 -4.40 115.64 115.86 1q3g s THR 296 Ca 0.07 0.45 -0.29 0.00 -1.18 0.00 0.00 61.69 60.74 1q3g s THR 296 Cb -0.16 -3.07 0.10 0.00 1.34 0.00 0.00 72.50 70.71 1q3g s THR 296 CO -0.14 -0.16 1.18 0.00 -0.54 0.00 0.00 174.62 174.95 1q3g s ALA 297 N -1.90 -2.04 0.73 3.99 0.00 -0.56 -4.05 121.76 117.93 1q3g s ALA 297 Ca 0.73 0.54 -0.16 0.00 0.00 0.00 0.00 51.96 53.08 1q3g s ALA 297 Cb -0.26 0.44 0.02 0.00 0.00 0.00 0.00 23.12 23.32 1q3g s ALA 297 CO 0.37 -1.03 1.10 -2.30 0.00 0.00 0.00 175.76 173.89 1q3g n PRO 298 N -0.47 0.55 -1.59 0.00 -0.02 -1.26 -4.40 135.00 127.82 1q3g n PRO 298 Ca -0.08 0.25 -0.38 0.00 -2.02 0.00 0.00 63.50 61.27 1q3g n PRO 298 Cb 0.62 -2.34 0.05 0.00 -0.02 0.00 0.00 33.50 31.80 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 -2.59 0.58 1.27 6.00 -0.00 -1.26 -1.98 115.22 117.24 1q3g n HIS 299 Ca 0.14 0.45 0.02 0.00 0.46 0.00 0.00 57.72 58.78 1q3g n HIS 299 Cb 0.49 -2.11 0.06 0.00 -0.12 0.00 0.00 29.99 28.31 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 -0.72 1.43 -0.76 1.57 -0.04 -1.26 -4.62 135.00 130.60 1q3g n PRO 300 Ca 0.13 -0.49 -0.20 0.00 -0.04 0.00 0.00 63.50 62.90 1q3g n PRO 300 Cb 0.46 -1.29 0.17 0.00 -0.04 0.00 0.00 33.50 32.81 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 -0.05 -2.19 -1.87 0.55 0.00 -0.84 -4.23 120.51 111.89 1q3g n ALA 301 Ca 0.04 -1.10 -0.42 0.00 0.00 0.00 0.00 53.44 51.96 1q3g n ALA 301 Cb 0.21 -0.07 -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 -2.39 2.00 0.16 0.00 5.36 -1.26 -4.80 117.98 117.05 1q3g s PHE 302 Ca 0.48 0.06 -0.30 0.00 -0.96 0.00 0.00 56.93 56.21 1q3g s PHE 302 Cb -0.04 -4.04 -0.08 0.00 -0.34 0.00 0.00 43.02 38.52 1q3g s PHE 302 CO 0.37 -4.38 1.22 -1.25 -1.46 0.00 0.00 175.22 169.72 1q3g s PRO 303 N 3.46 4.46 0.54 10.12 0.04 -1.26 -1.50 135.00 150.86 1q3g s PRO 303 Ca 0.78 1.89 0.24 0.00 0.04 0.00 0.00 61.00 63.95 1q3g s PRO 303 Cb -0.39 -3.25 1.52 0.00 0.04 0.00 0.00 34.50 32.41 1q3g s PRO 303 CO 0.34 -0.16 2.16 0.00 0.04 0.00 0.00 177.00 179.38 1q3g h THR 304 N 3.90 0.73 0.00 1.26 1.03 -1.93 -1.67 112.91 116.23 1q3g h THR 304 Ca -0.44 -0.19 0.00 0.00 -0.01 0.00 0.00 66.41 65.77 1q3g h THR 304 Cb 1.21 1.11 0.00 0.00 -1.07 0.00 0.00 68.15 69.41 1q3g h THR 304 CO 0.77 0.05 0.00 0.00 -0.01 0.00 0.00 175.52 176.33 1q3g n ALA 305 N -2.39 1.52 0.51 0.00 0.00 -1.26 -1.91 120.51 116.97 1q3g n ALA 305 Ca -0.03 -0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.43 1q3g n ALA 305 Cb 0.14 -1.17 -0.04 0.00 0.00 0.00 0.00 19.45 18.38 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 -1.44 2.90 -0.11 0.00 2.00 -0.63 -4.73 117.12 115.12 1q3g n MET 306 Ca 0.03 -0.24 -0.05 0.00 0.00 0.00 0.00 57.70 57.44 1q3g n MET 306 Cb 0.11 -1.05 0.02 0.00 0.00 0.00 0.00 33.22 32.30 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 0.46 0.15 -0.33 0.03 -0.00 -1.38 -1.26 115.11 112.78 1q3g h GLN 307 Ca 0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 58.65 58.65 1q3g h GLN 307 Cb 0.30 -0.03 -0.02 0.00 0.00 0.00 0.00 27.48 27.73 1q3g h GLN 307 CO 0.00 0.10 0.21 0.00 0.00 0.00 0.00 178.83 179.14 1q3g h ALA 308 N 1.29 0.42 -0.78 3.38 0.00 -1.85 0.25 119.26 121.98 1q3g h ALA 308 Ca 0.18 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1q3g h ALA 308 Cb 0.22 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1q3g h ALA 308 CO -0.26 -0.14 0.48 1.96 0.00 0.00 0.00 179.25 181.29 1q3g h GLN 309 N 0.42 0.87 0.00 0.00 7.50 -1.74 -0.72 115.11 121.45 1q3g h GLN 309 Ca 0.13 -0.05 -0.00 0.00 0.50 0.00 0.00 58.65 59.22 1q3g h GLN 309 Cb -0.03 -0.20 -0.00 0.00 0.05 0.00 0.00 27.48 27.31 1q3g h GLN 309 CO -0.04 0.58 -0.00 0.74 -1.50 0.00 0.00 178.83 178.60 1q3g h PHE 310 N 0.90 0.00 -0.37 2.96 -1.00 -0.80 -2.25 116.94 116.38 1q3g h PHE 310 Ca 0.33 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 61.04 1q3g h PHE 310 Cb 0.11 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.66 1q3g h PHE 310 CO -0.04 0.00 -0.02 1.15 -1.61 0.00 0.00 178.31 177.79 1q3g h THR 311 N 0.00 1.26 0.25 -1.55 2.02 0.55 -1.76 112.91 113.69 1q3g h THR 311 Ca -0.00 -1.04 -0.00 0.00 0.77 0.00 0.00 66.41 66.14 1q3g h THR 311 Cb 0.71 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1q3g h THR 311 CO 0.00 0.35 -0.20 0.25 0.37 0.00 0.00 175.52 176.28 1q3g h LEU 312 N 0.49 -0.53 -0.64 2.58 5.85 -1.06 -0.54 115.31 121.46 1q3g h LEU 312 Ca 0.10 0.04 0.14 0.00 0.84 0.00 0.00 57.88 59.00 1q3g h LEU 312 Cb 0.50 0.18 -0.11 0.00 0.37 0.00 0.00 40.66 41.60 1q3g h LEU 312 CO 0.02 -0.31 0.00 0.25 -0.34 0.00 0.00 178.44 178.06 1q3g h LEU 313 N -0.47 -0.28 -0.77 2.25 6.46 -1.27 0.00 115.31 121.23 1q3g h LEU 313 Ca -0.01 0.16 -0.07 0.00 -0.12 0.00 0.00 57.88 57.83 1q3g h LEU 313 Cb 0.42 0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 40.60 1q3g h LEU 313 CO -0.02 -0.12 0.10 0.78 -0.62 0.00 0.00 178.44 178.56 1q3g h ASN 314 N 0.12 0.98 0.25 1.25 2.35 -0.96 -2.14 115.58 117.43 1q3g h ASN 314 Ca 0.34 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1q3g h ASN 314 Cb 0.55 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1q3g h ASN 314 CO -0.55 0.98 0.00 -0.07 -1.65 0.00 0.00 177.43 176.14 1q3g h LEU 315 N 0.97 0.00 -2.84 1.61 3.38 0.65 -1.45 115.31 117.62 1q3g h LEU 315 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1q3g h LEU 315 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1q3g h LEU 315 CO 0.01 0.00 -0.06 1.33 0.09 0.00 0.00 178.44 179.81 1q3g n VAL 316 N -2.54 1.54 -3.13 1.22 0.24 -0.97 -1.61 118.33 113.08 1q3g n VAL 316 Ca -0.01 -1.83 -0.18 0.00 -2.04 0.00 0.00 64.34 60.28 1q3g n VAL 316 Cb 0.11 -0.06 0.01 0.00 -1.47 0.00 0.00 33.84 32.43 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 -2.29 4.36 -0.32 2.33 0.00 -0.55 -4.61 121.76 120.68 1q3g s ALA 317 Ca 0.24 -1.55 -0.24 0.00 0.00 0.00 0.00 51.96 50.41 1q3g s ALA 317 Cb 0.21 -1.70 0.01 0.00 0.00 0.00 0.00 23.12 21.64 1q3g s ALA 317 CO 0.02 -0.24 0.84 -2.00 0.00 0.00 0.00 175.76 174.38 1q3g s GLU 318 N -4.33 3.93 0.00 0.00 2.56 0.58 -3.75 118.70 117.68 1q3g s GLU 318 Ca 0.52 0.60 0.00 0.00 0.00 0.00 0.00 54.97 56.09 1q3g s GLU 318 Cb -0.10 -3.75 0.00 0.00 2.00 0.00 0.00 34.13 32.28 1q3g s GLU 318 CO 0.33 -0.76 0.00 0.41 -0.56 0.00 0.00 175.26 174.68 1q3g n GLY 319 N 4.23 -1.01 3.43 -1.50 0.00 -1.26 -1.07 105.19 108.01 1q3g n GLY 319 Ca 0.05 -2.22 -0.41 0.00 0.00 0.00 0.00 46.02 43.44 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 -0.50 4.88 -0.04 2.61 2.01 -1.26 -2.28 115.64 121.06 1q3g s THR 320 Ca 0.00 -0.64 -0.03 0.00 0.31 0.00 0.00 61.69 61.33 1q3g s THR 320 Cb 0.00 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 1q3g s THR 320 CO 0.00 -0.18 0.13 -0.83 -0.69 0.00 0.00 174.62 173.05 1q3g s GLY 321 N 1.62 2.10 -0.12 4.40 0.00 -0.42 -4.78 107.32 110.13 1q3g s GLY 321 Ca 0.04 -0.77 0.02 0.00 0.00 0.00 0.00 44.72 44.01 1q3g s GLY 321 CO 0.08 -0.61 -0.17 0.14 0.00 0.00 0.00 173.10 172.54 1q3g s VAL 322 N -1.19 1.62 -0.14 1.40 1.01 -1.13 0.32 120.40 122.30 1q3g s VAL 322 Ca 0.22 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.50 1q3g s VAL 322 Cb -0.12 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.79 1q3g s VAL 322 CO 0.13 0.47 -0.19 -0.63 0.00 0.00 0.00 175.10 174.88 1q3g s ILE 323 N 0.96 2.42 -0.18 2.22 1.01 -0.86 -0.61 121.20 126.15 1q3g s ILE 323 Ca -0.06 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.73 1q3g s ILE 323 Cb -0.15 -1.99 0.02 0.00 0.01 0.00 0.00 42.46 40.35 1q3g s ILE 323 CO -0.02 0.53 -0.19 -0.89 0.00 0.00 0.00 174.94 174.38 1q3g s THR 324 N 0.67 2.15 -0.25 2.92 2.01 0.83 -0.27 115.64 123.69 1q3g s THR 324 Ca -0.09 -0.92 -0.14 0.00 0.31 0.00 0.00 61.69 60.84 1q3g s THR 324 Cb -0.16 -1.91 -0.04 0.00 0.01 0.00 0.00 72.50 70.40 1q3g s THR 324 CO 0.02 0.52 0.34 -0.70 -0.69 0.00 0.00 174.62 174.11 1q3g s GLU 325 N 1.30 4.07 0.00 4.92 2.56 -0.27 -1.31 118.70 129.96 1q3g s GLU 325 Ca 0.05 0.02 0.07 0.00 0.00 0.00 0.00 54.97 55.11 1q3g s GLU 325 Cb -0.13 -3.60 0.05 0.00 2.00 0.00 0.00 34.13 32.45 1q3g s GLU 325 CO -0.12 -0.15 0.72 0.25 -0.56 0.00 0.00 175.26 175.39 1q3g n THR 326 N 4.77 0.00 -0.11 -1.70 -2.24 -1.26 -4.76 114.28 108.98 1q3g n THR 326 Ca -0.10 -0.50 -0.25 0.00 -2.27 0.00 0.00 64.05 60.93 1q3g n THR 326 Cb 0.51 1.14 -0.11 0.00 -2.10 0.00 0.00 70.33 69.77 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 0.38 1.55 -5.28 2.28 2.08 -1.26 -4.98 119.36 114.13 1q3g n ILE 327 Ca 0.04 -0.34 -0.31 0.00 0.56 0.00 0.00 62.75 62.69 1q3g n ILE 327 Cb 0.17 -1.84 -0.16 0.00 -0.75 0.00 0.00 39.64 37.06 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 -2.48 2.40 -0.66 1.39 0.40 -1.26 -5.05 117.98 112.73 1q3g s PHE 328 Ca -0.34 -0.59 0.22 0.00 -0.60 0.00 0.00 56.93 55.61 1q3g s PHE 328 Cb 0.11 -1.56 0.89 0.00 0.51 0.00 0.00 43.02 42.97 1q3g s PHE 328 CO 0.56 -0.14 1.67 -0.85 0.70 0.00 0.00 175.22 177.16 1q3g n GLU 329 N 2.72 0.14 -2.91 0.44 0.00 -1.22 -3.94 120.64 115.88 1q3g n GLU 329 Ca -0.17 0.34 -0.13 0.00 0.00 0.00 0.00 57.16 57.20 1q3g n GLU 329 Cb 0.52 -1.76 0.01 0.00 0.00 0.00 0.00 31.44 30.21 1q3g n GLU 329 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1q3g n ASN 330 N -2.03 0.80 -2.39 -1.84 4.05 -0.54 -4.93 115.26 108.39 1q3g n ASN 330 Ca 0.03 -2.89 -0.31 0.00 0.45 0.00 0.00 54.58 51.86 1q3g n ASN 330 Cb 0.24 -0.37 0.04 0.00 1.23 0.00 0.00 39.78 40.92 1q3g n ASN 330 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 177.26 173.07 1q3g n ARG 331 N 0.09 3.09 -0.16 1.20 0.63 -1.25 -4.26 116.66 116.00 1q3g n ARG 331 Ca 0.16 -3.80 0.06 0.00 -0.92 0.00 0.00 57.85 53.35 1q3g n ARG 331 Cb 0.74 -2.28 0.08 0.00 0.45 0.00 0.00 32.46 31.45 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 -0.71 0.00 0.32 -0.14 0.99 -1.26 -4.80 117.46 111.85 1q3g n PHE 332 Ca 0.52 -0.63 0.21 0.00 -0.00 0.00 0.00 57.45 57.54 1q3g n PHE 332 Cb 0.66 -0.10 1.03 0.00 -1.00 0.00 0.00 39.48 40.07 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 -1.99 -1.90 114.93 112.83 1q3g h MET 333 Ca 0.00 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.52 1q3g h MET 333 Cb 1.03 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.67 1q3g h MET 333 CO 0.00 0.00 -0.56 1.12 1.06 0.00 0.00 176.91 178.53 1q3g h HIS 334 N 0.00 0.00 -0.06 -0.22 2.07 -1.94 -3.36 115.15 111.64 1q3g h HIS 334 Ca 0.00 0.00 0.03 0.00 -2.85 0.00 0.00 60.37 57.55 1q3g h HIS 334 Cb 0.15 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.09 1q3g h HIS 334 CO 0.00 0.56 -0.19 0.28 -3.07 0.00 0.00 177.93 175.50 1q3g h VAL 335 N 0.00 0.53 -0.53 6.12 2.07 -1.73 -0.73 116.25 121.98 1q3g h VAL 335 Ca -0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1q3g h VAL 335 Cb 1.34 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1q3g h VAL 335 CO 0.07 0.00 0.35 -0.65 0.02 0.00 0.00 177.57 177.37 1q3g h PRO 336 N -0.28 0.52 -0.20 1.57 0.11 -1.74 -0.80 132.00 131.18 1q3g h PRO 336 Ca 0.07 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.08 1q3g h PRO 336 Cb 0.39 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.38 1q3g h PRO 336 CO -0.22 0.35 -0.14 0.93 -0.21 0.00 0.00 178.00 178.70 1q3g h GLU 337 N 0.54 0.45 -0.05 1.05 4.39 -1.58 -2.96 114.58 116.42 1q3g h GLU 337 Ca 0.22 -0.22 -0.06 0.00 0.34 0.00 0.00 59.36 59.65 1q3g h GLU 337 Cb 0.21 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1q3g h GLU 337 CO -0.06 0.77 -0.25 -0.07 -1.16 0.00 0.00 179.01 178.24 1q3g h LEU 338 N 0.13 0.09 -1.57 1.33 3.38 -0.65 -1.40 115.31 116.62 1q3g h LEU 338 Ca 0.04 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1q3g h LEU 338 Cb 0.66 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1q3g h LEU 338 CO 0.04 0.34 -0.04 0.40 0.09 0.00 0.00 178.44 179.27 1q3g h ILE 339 N 0.08 1.13 0.00 1.22 2.04 -1.03 0.98 117.51 121.93 1q3g h ILE 339 Ca 0.01 -0.52 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 1q3g h ILE 339 Cb 0.48 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1q3g h ILE 339 CO 0.03 0.17 -0.15 0.03 0.00 0.00 0.00 178.15 178.23 1q3g h ARG 340 N 0.22 0.00 -0.46 2.37 3.08 -1.09 -0.70 114.38 117.80 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 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1q3g h ARG 340 CO 0.01 0.15 0.00 -1.33 -1.07 0.00 0.00 179.97 177.73 1q3g n MET 341 N -3.85 2.08 -0.22 0.04 2.81 0.30 -4.87 117.12 113.40 1q3g n MET 341 Ca -0.02 -1.34 0.00 0.00 -1.81 0.00 0.00 57.70 54.53 1q3g n MET 341 Cb 0.25 -1.42 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 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 0.89 0.68 3.76 3.03 0.00 -0.27 -0.38 105.19 112.91 1q3g n GLY 342 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.32 1.92 -0.13 4.61 0.00 -0.94 -4.97 121.76 119.93 1q3g s ALA 343 Ca 0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 51.96 51.83 1q3g s ALA 343 Cb 0.00 -3.15 0.02 0.00 0.00 0.00 0.00 23.12 20.00 1q3g s ALA 343 CO 0.00 -2.02 -0.11 -1.01 0.00 0.00 0.00 175.76 172.62 1q3g s HIS 344 N -3.05 1.83 0.04 0.00 0.09 -1.26 -4.55 115.29 108.40 1q3g s HIS 344 Ca 0.62 -0.99 -0.27 0.00 -0.00 0.00 0.00 55.06 54.42 1q3g s HIS 344 Cb -0.16 -1.42 0.09 0.00 -0.00 0.00 0.00 32.58 31.09 1q3g s HIS 344 CO 0.55 -0.60 0.76 0.00 -0.00 0.00 0.00 174.74 175.46 1q3g s ALA 345 N 1.60 -1.74 -0.00 -1.40 0.00 -1.26 -1.25 121.76 117.70 1q3g s ALA 345 Ca 0.05 0.91 0.03 0.00 0.00 0.00 0.00 51.96 52.95 1q3g s ALA 345 Cb -0.13 0.44 -0.01 0.00 0.00 0.00 0.00 23.12 23.42 1q3g s ALA 345 CO -0.09 -0.64 -0.11 -1.21 0.00 0.00 0.00 175.76 173.71 1q3g s GLU 346 N -2.92 0.85 -0.21 0.00 8.01 -0.61 -4.97 118.70 118.84 1q3g s GLU 346 Ca 0.01 -0.42 -0.06 0.00 0.01 0.00 0.00 54.97 54.50 1q3g s GLU 346 Cb -0.01 -0.82 -0.03 0.00 -4.31 0.00 0.00 34.13 28.97 1q3g s GLU 346 CO -0.07 0.22 0.03 0.42 0.01 0.00 0.00 175.26 175.87 1q3g s ILE 347 N -0.34 4.25 -0.26 -1.63 1.01 -1.26 -0.13 121.20 122.83 1q3g s ILE 347 Ca 0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 60.65 60.47 1q3g s ILE 347 Cb -0.05 -2.93 0.08 0.00 0.01 0.00 0.00 42.46 39.56 1q3g s ILE 347 CO -0.00 0.41 0.02 -1.61 0.00 0.00 0.00 174.94 173.76 1q3g s GLU 348 N 1.00 1.17 8.00 2.79 0.41 -0.51 -5.02 118.70 126.55 1q3g s GLU 348 Ca 0.03 -1.00 0.00 0.00 -0.41 0.00 0.00 54.97 53.59 1q3g s GLU 348 Cb -0.14 -2.40 0.00 0.00 -1.78 0.00 0.00 34.13 29.81 1q3g s GLU 348 CO 0.02 -0.75 0.00 0.45 -0.49 0.00 0.00 175.26 174.49 1q3g n SER 349 N 4.75 0.00 -2.20 -0.19 2.88 -1.26 -2.21 113.62 115.38 1q3g n SER 349 Ca -0.07 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.24 1q3g n SER 349 Cb 0.44 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 64.08 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 7.64 3.72 -3.88 -3.46 6.94 -1.26 -4.92 115.26 120.05 1q3g n ASN 350 Ca 0.00 -3.61 -0.11 0.00 -0.02 0.00 0.00 54.58 50.83 1q3g n ASN 350 Cb 0.00 -0.84 -0.12 0.00 -2.36 0.00 0.00 39.78 36.46 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 -3.30 0.04 -0.17 5.53 -4.23 -0.94 -1.11 115.64 111.46 1q3g s THR 351 Ca 0.57 -0.31 -0.04 0.00 -1.18 0.00 0.00 61.69 60.72 1q3g s THR 351 Cb 0.48 -0.20 -0.03 0.00 1.34 0.00 0.00 72.50 74.09 1q3g s THR 351 CO 0.11 -0.17 -0.03 0.68 -0.54 0.00 0.00 174.62 174.67 1q3g s VAL 352 N -0.52 3.92 -0.35 2.29 -7.23 0.62 -1.42 120.40 117.71 1q3g s VAL 352 Ca -0.06 -0.34 -0.18 0.00 -1.81 0.00 0.00 61.98 59.58 1q3g s VAL 352 Cb -0.04 -2.73 -0.00 0.00 0.56 0.00 0.00 36.38 34.17 1q3g s VAL 352 CO 0.00 0.48 0.53 -0.63 -0.31 0.00 0.00 175.10 175.17 1q3g s ILE 353 N 0.50 5.00 -0.13 -0.62 -1.09 0.81 -2.03 121.20 123.64 1q3g s ILE 353 Ca -0.03 0.37 -0.06 0.00 -2.23 0.00 0.00 60.65 58.71 1q3g s ILE 353 Cb -0.14 -3.98 -0.04 0.00 -1.58 0.00 0.00 42.46 36.72 1q3g s ILE 353 CO 0.03 -0.23 0.10 0.00 -1.23 0.00 0.00 174.94 173.61 1q3g s HIS 355 N -0.72 2.68 0.40 0.00 3.76 -0.38 -1.29 115.29 119.74 1q3g s HIS 355 Ca 0.13 -2.87 -0.24 0.00 -0.15 0.00 0.00 55.06 51.93 1q3g s HIS 355 Cb -0.12 -2.42 -0.12 0.00 1.11 0.00 0.00 32.58 31.03 1q3g s HIS 355 CO 0.03 -0.75 0.77 0.41 -0.85 0.00 0.00 174.74 174.35 1q3g n GLY 356 N 3.25 -0.87 3.43 -2.22 0.00 -0.96 -4.10 105.19 103.72 1q3g n GLY 356 Ca 0.07 0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.34 1.80 0.01 1.61 -7.23 -0.63 -4.73 120.40 109.89 1q3g s VAL 357 Ca 0.63 -2.18 -0.06 0.00 -1.81 0.00 0.00 61.98 58.57 1q3g s VAL 357 Cb -0.60 -2.38 -0.03 0.00 0.56 0.00 0.00 36.38 33.93 1q3g s VAL 357 CO 0.57 -0.36 1.09 -0.08 -0.31 0.00 0.00 175.10 176.01 1q3g h GLU 358 N 2.30 -0.19 -5.51 4.82 4.57 -1.89 -3.40 114.58 115.29 1q3g h GLU 358 Ca -0.40 0.01 -0.44 0.00 -1.18 0.00 0.00 59.36 57.36 1q3g h GLU 358 Cb 1.24 0.04 -0.20 0.00 -0.16 0.00 0.00 28.75 29.67 1q3g h GLU 358 CO 0.66 -0.13 -0.78 0.15 -1.18 0.00 0.00 179.01 177.73 1q3g s LYS 359 N -3.46 0.97 0.20 1.92 1.02 -1.26 -4.99 119.74 114.14 1q3g s LYS 359 Ca -0.03 -1.12 0.03 0.00 0.02 0.00 0.00 55.97 54.87 1q3g s LYS 359 Cb 0.00 -0.96 -0.03 0.00 -0.52 0.00 0.00 37.83 36.32 1q3g s LYS 359 CO 0.09 0.20 0.33 -0.51 -0.92 0.00 0.00 175.35 174.54 1q3g s LEU 360 N -2.11 4.31 -0.13 3.17 1.43 -1.26 -4.94 118.68 119.15 1q3g s LEU 360 Ca 0.05 0.15 -0.03 0.00 -1.03 0.00 0.00 54.13 53.27 1q3g s LEU 360 Cb -0.08 -2.92 -0.03 0.00 0.03 0.00 0.00 46.19 43.20 1q3g s LEU 360 CO 0.03 -0.01 -0.04 -0.44 0.23 0.00 0.00 176.35 176.11 1q3g s SER 361 N -3.56 4.77 0.55 2.29 0.01 0.49 0.79 113.70 119.05 1q3g s SER 361 Ca 0.35 -0.09 -0.22 0.00 1.31 0.00 0.00 55.95 57.30 1q3g s SER 361 Cb -0.10 -1.63 -0.05 0.00 0.21 0.00 0.00 66.02 64.45 1q3g s SER 361 CO 0.29 0.22 1.35 -0.83 0.41 0.00 0.00 173.24 174.68 1q3g s GLY 362 N 0.03 2.88 0.17 3.44 0.00 -0.95 -4.44 107.32 108.45 1q3g s GLY 362 Ca -0.00 1.32 -0.24 0.00 0.00 0.00 0.00 44.72 45.80 1q3g s GLY 362 CO 0.03 1.83 1.00 0.00 0.00 0.00 0.00 173.10 175.95 1q3g s ALA 363 N -1.32 -1.61 -0.30 3.20 0.00 -1.06 -4.76 121.76 115.91 1q3g s ALA 363 Ca 0.72 -0.08 -0.23 0.00 0.00 0.00 0.00 51.96 52.38 1q3g s ALA 363 Cb -0.40 0.68 -0.00 0.00 0.00 0.00 0.00 23.12 23.40 1q3g s ALA 363 CO 0.47 -1.05 0.74 -0.65 0.00 0.00 0.00 175.76 175.27 1q3g s GLN 364 N -2.77 3.97 0.31 0.00 -0.21 -1.26 -2.01 119.66 117.69 1q3g s GLN 364 Ca 0.16 0.54 0.07 0.00 0.02 0.00 0.00 55.36 56.15 1q3g s GLN 364 Cb -0.02 -3.72 -0.06 0.00 1.00 0.00 0.00 33.01 30.21 1q3g s GLN 364 CO 0.04 -0.63 -0.05 0.14 -2.12 0.00 0.00 175.29 172.67 1q3g s VAL 365 N 2.84 1.74 -0.12 1.09 -7.23 -0.07 -4.96 120.40 113.68 1q3g s VAL 365 Ca 0.30 -2.12 0.02 0.00 -1.81 0.00 0.00 61.98 58.38 1q3g s VAL 365 Cb -0.14 -2.57 0.01 0.00 0.56 0.00 0.00 36.38 34.24 1q3g s VAL 365 CO 0.12 -0.22 -0.18 -0.32 -0.31 0.00 0.00 175.10 174.18 1q3g s MET 366 N -3.72 2.54 0.31 4.82 1.75 -1.26 -1.17 119.30 122.57 1q3g s MET 366 Ca 0.31 -0.68 -0.29 0.00 -1.25 0.00 0.00 55.69 53.79 1q3g s MET 366 Cb 0.05 -2.12 -0.10 0.00 2.84 0.00 0.00 34.83 35.50 1q3g s MET 366 CO 0.14 -0.05 1.24 0.00 -0.65 0.00 0.00 175.02 175.70 1q3g s ALA 367 N 0.95 3.47 -0.02 4.11 0.00 -0.73 -4.92 121.76 124.62 1q3g s ALA 367 Ca -0.06 1.15 0.02 0.00 0.00 0.00 0.00 51.96 53.07 1q3g s ALA 367 Cb -0.15 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.51 1q3g s ALA 367 CO -0.02 -0.49 0.05 0.25 0.00 0.00 0.00 175.76 175.55 1q3g n THR 368 N 0.94 0.00 -3.82 0.00 -2.24 -1.26 -4.84 114.28 103.06 1q3g n THR 368 Ca -0.00 -0.11 -0.06 0.00 -2.27 0.00 0.00 64.05 61.61 1q3g n THR 368 Cb 0.43 0.55 -0.01 0.00 -2.10 0.00 0.00 70.33 69.20 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 -2.05 -0.16 0.08 3.42 1.47 -1.26 -4.94 116.67 113.22 1q3g s ASP 369 Ca -0.00 -0.62 -0.23 0.00 1.18 0.00 0.00 52.55 52.87 1q3g s ASP 369 Cb 0.01 0.64 -0.09 0.00 -0.34 0.00 0.00 42.92 43.14 1q3g s ASP 369 CO 0.08 -1.21 1.37 0.25 0.68 0.00 0.00 175.17 176.35 1q3g h LEU 370 N 2.00 -1.15 -1.06 2.11 5.85 -1.99 -0.45 115.31 120.63 1q3g h LEU 370 Ca -0.24 0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.52 1q3g h LEU 370 Cb 1.24 0.44 -0.01 0.00 0.37 0.00 0.00 40.66 42.70 1q3g h LEU 370 CO 0.28 -0.34 -0.45 0.03 -0.34 0.00 0.00 178.44 177.62 1q3g h ARG 371 N -0.42 0.04 -0.44 1.25 2.47 -1.91 -2.93 114.38 112.45 1q3g h ARG 371 Ca 0.02 -0.02 -0.05 0.00 -1.26 0.00 0.00 59.98 58.66 1q3g h ARG 371 Cb 0.47 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.77 1q3g h ARG 371 CO -0.27 0.49 0.08 0.00 0.56 0.00 0.00 179.97 180.82 1q3g h ALA 372 N 1.51 0.59 -0.58 0.04 0.00 -1.91 -1.77 119.26 117.13 1q3g h ALA 372 Ca -0.00 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.73 1q3g h ALA 372 Cb 0.81 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1q3g h ALA 372 CO 0.06 0.30 0.33 0.66 0.00 0.00 0.00 179.25 180.60 1q3g h SER 373 N 0.59 0.51 -0.70 0.00 4.64 -0.91 0.10 113.55 117.78 1q3g h SER 373 Ca 0.13 0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.43 1q3g h SER 373 Cb 0.37 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.34 1q3g h SER 373 CO 0.01 0.35 0.30 0.00 -0.87 0.00 0.00 176.83 176.61 1q3g h ALA 374 N 1.28 1.17 -0.55 5.18 0.00 -1.37 -1.07 119.26 123.90 1q3g h ALA 374 Ca 0.25 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1q3g h ALA 374 Cb 0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1q3g h ALA 374 CO -0.14 0.61 0.19 0.77 0.00 0.00 0.00 179.25 180.68 1q3g h SER 375 N 1.04 0.79 0.07 0.00 0.02 -0.26 -1.11 113.55 114.09 1q3g h SER 375 Ca 0.24 -0.19 -0.08 0.00 -0.84 0.00 0.00 61.79 60.92 1q3g h SER 375 Cb 0.18 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1q3g h SER 375 CO -0.02 0.77 -0.26 -0.07 -1.14 0.00 0.00 176.83 176.10 1q3g h LEU 376 N 0.76 0.32 -0.28 5.07 3.38 -0.43 -0.13 115.31 123.99 1q3g h LEU 376 Ca 0.18 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1q3g h LEU 376 Cb 0.25 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1q3g h LEU 376 CO -0.01 0.58 -0.20 0.58 0.09 0.00 0.00 178.44 179.49 1q3g h VAL 377 N 0.28 1.30 -0.54 1.22 2.07 -0.83 -1.24 116.25 118.52 1q3g h VAL 377 Ca 0.04 -1.33 -0.05 0.00 0.82 0.00 0.00 66.70 66.18 1q3g h VAL 377 Cb 0.62 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 1q3g h VAL 377 CO 0.04 0.42 0.12 -0.07 0.02 0.00 0.00 177.57 178.11 1q3g h LEU 378 N 0.37 0.77 -0.73 2.57 3.38 -0.92 -2.00 115.31 118.76 1q3g h LEU 378 Ca 0.06 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1q3g h LEU 378 Cb 0.74 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 1q3g h LEU 378 CO 0.05 0.77 0.48 0.00 0.09 0.00 0.00 178.44 179.83 1q3g h ALA 379 N 1.34 0.93 -0.63 1.53 0.00 -0.73 -1.86 119.26 119.83 1q3g h ALA 379 Ca 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1q3g h ALA 379 Cb 0.31 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1q3g h ALA 379 CO 0.00 0.32 0.34 0.78 0.00 0.00 0.00 179.25 180.69 1q3g h GLY 380 N 0.97 0.92 1.41 0.00 0.00 -0.54 0.78 103.07 106.61 1q3g h GLY 380 Ca 0.27 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 1q3g h GLY 380 CO -0.07 0.38 0.18 0.00 0.00 0.00 0.00 176.54 177.04 1q3g n ILE 382 N -4.33 0.00 -1.55 0.00 -5.35 -0.99 -0.82 119.36 106.33 1q3g n ILE 382 Ca 0.04 -0.25 -0.31 0.00 -0.27 0.00 0.00 62.75 61.97 1q3g n ILE 382 Cb 0.17 1.17 0.07 0.00 -1.74 0.00 0.00 39.64 39.31 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 -2.30 2.51 -0.65 -1.28 0.00 0.23 -4.51 121.76 115.76 1q3g s ALA 383 Ca 0.14 -0.01 -0.22 0.00 0.00 0.00 0.00 51.96 51.86 1q3g s ALA 383 Cb 0.15 -3.15 0.07 0.00 0.00 0.00 0.00 23.12 20.19 1q3g s ALA 383 CO 0.54 -1.43 0.95 -2.00 0.00 0.00 0.00 175.76 173.82 1q3g s GLU 384 N -5.08 3.12 0.00 0.00 2.56 0.24 -1.81 118.70 117.73 1q3g s GLU 384 Ca 0.59 -0.83 0.00 0.00 0.00 0.00 0.00 54.97 54.73 1q3g s GLU 384 Cb -0.14 -4.22 0.00 0.00 2.00 0.00 0.00 34.13 31.77 1q3g s GLU 384 CO 0.55 -1.78 0.00 0.41 -0.56 0.00 0.00 175.26 173.87 1q3g n GLY 385 N 5.32 0.22 3.63 -1.50 0.00 -0.58 -2.25 105.19 110.03 1q3g n GLY 385 Ca -0.04 -2.01 -0.35 0.00 0.00 0.00 0.00 46.02 43.63 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 4.81 -0.03 2.61 2.01 -1.26 -0.53 115.64 123.26 1q3g s THR 386 Ca 0.00 -0.02 0.07 0.00 0.31 0.00 0.00 61.69 62.04 1q3g s THR 386 Cb 0.00 -3.18 -0.02 0.00 0.01 0.00 0.00 72.50 69.31 1q3g s THR 386 CO 0.00 0.45 -0.23 -0.89 -0.69 0.00 0.00 174.62 173.27 1q3g s THR 387 N 0.43 2.35 -0.21 -0.82 2.01 0.15 -2.56 115.64 116.98 1q3g s THR 387 Ca 0.03 -0.99 0.01 0.00 0.31 0.00 0.00 61.69 61.05 1q3g s THR 387 Cb -0.12 -1.85 0.05 0.00 0.01 0.00 0.00 72.50 70.58 1q3g s THR 387 CO 0.00 0.58 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.72 1q3g s VAL 388 N -0.62 1.78 -0.46 3.82 1.01 -0.85 -0.12 120.40 124.96 1q3g s VAL 388 Ca 0.10 -1.17 -0.16 0.00 0.00 0.00 0.00 61.98 60.75 1q3g s VAL 388 Cb -0.10 -1.86 0.06 0.00 0.00 0.00 0.00 36.38 34.47 1q3g s VAL 388 CO -0.00 0.13 0.40 -0.69 0.00 0.00 0.00 175.10 174.93 1q3g s VAL 389 N 1.32 5.20 0.49 2.92 1.01 -0.18 -0.90 120.40 130.27 1q3g s VAL 389 Ca -0.03 -0.92 -0.18 0.00 0.00 0.00 0.00 61.98 60.85 1q3g s VAL 389 Cb -0.17 -4.10 -0.09 0.00 0.00 0.00 0.00 36.38 32.02 1q3g s VAL 389 CO -0.08 -0.55 0.98 -0.62 0.00 0.00 0.00 175.10 174.84 1q3g s ASP 390 N 2.42 6.63 -1.15 3.32 2.15 -0.31 -1.70 116.67 128.03 1q3g s ASP 390 Ca 0.05 1.65 -0.06 0.00 0.43 0.00 0.00 52.55 54.63 1q3g s ASP 390 Cb -0.23 -2.52 0.01 0.00 -0.30 0.00 0.00 42.92 39.88 1q3g s ASP 390 CO 0.08 -0.58 1.00 0.54 -0.17 0.00 0.00 175.17 176.04 1q3g n ARG 391 N -1.29 -6.68 0.00 4.34 1.74 -1.14 -1.77 116.66 111.87 1q3g n ARG 391 Ca 0.07 0.73 0.07 0.00 -0.77 0.00 0.00 57.85 57.95 1q3g n ARG 391 Cb 0.54 -5.46 0.41 0.00 -1.02 0.00 0.00 32.46 26.93 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 -4.44 0.00 0.02 0.55 -6.64 -1.19 -2.78 119.36 104.88 1q3g n ILE 392 Ca -0.06 0.00 0.17 0.00 -1.77 0.00 0.00 62.75 61.09 1q3g n ILE 392 Cb 0.58 -0.69 0.64 0.00 -1.44 0.00 0.00 39.64 38.74 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 0.09 -0.82 4.28 -0.00 -1.90 0.21 116.97 118.84 1q3g h TYR 393 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 58.73 58.85 1q3g h TYR 393 Cb 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 36.73 36.62 1q3g h TYR 393 CO 0.00 0.04 0.44 0.45 -0.00 0.00 0.00 178.16 179.09 1q3g h HIS 394 N 0.08 0.78 0.00 0.10 3.86 -1.88 -0.78 115.15 117.32 1q3g h HIS 394 Ca 0.22 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.42 1q3g h HIS 394 Cb 0.78 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 29.01 1q3g h HIS 394 CO -0.00 0.26 -0.23 0.97 0.86 0.00 0.00 177.93 179.79 1q3g h ILE 395 N 0.69 0.99 0.00 2.45 2.10 -0.83 -2.35 117.51 120.57 1q3g h ILE 395 Ca 0.42 -0.84 0.00 0.00 1.08 0.00 0.00 64.86 65.52 1q3g h ILE 395 Cb 0.48 1.48 0.00 0.00 -1.09 0.00 0.00 36.82 37.69 1q3g h ILE 395 CO -0.30 0.23 0.00 0.47 -1.08 0.00 0.00 178.15 177.47 1q3g n ASP 396 N -4.01 0.44 -0.05 2.19 8.00 -0.30 -1.81 116.55 121.01 1q3g n ASP 396 Ca -0.02 0.60 -0.14 0.00 0.71 0.00 0.00 54.79 55.94 1q3g n ASP 396 Cb 0.30 -0.70 -0.07 0.00 -0.02 0.00 0.00 41.12 40.64 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 0.45 -0.00 -1.24 2.47 -1.43 -2.26 114.38 112.37 1q3g h ARG 397 Ca 0.00 -0.28 0.00 0.00 -1.26 0.00 0.00 59.98 58.44 1q3g h ARG 397 Cb 0.35 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 1q3g h ARG 397 CO 0.00 0.88 0.00 0.41 0.56 0.00 0.00 179.97 181.82 1q3g n GLY 398 N 0.38 0.82 2.97 0.04 0.00 -1.16 -3.91 105.19 104.34 1q3g n GLY 398 Ca -0.06 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.52 1.93 -0.22 1.61 1.51 -0.75 -4.89 117.35 116.02 1q3g s TYR 399 Ca 0.00 -1.08 -0.28 0.00 -1.01 0.00 0.00 57.07 54.70 1q3g s TYR 399 Cb 0.00 -1.46 0.00 0.00 -0.11 0.00 0.00 41.96 40.39 1q3g s TYR 399 CO 0.00 -0.62 0.98 -2.00 -1.11 0.00 0.00 175.55 172.80 1q3g s GLU 400 N 1.56 4.26 -1.26 -0.62 2.12 -1.26 -4.16 118.70 119.34 1q3g s GLU 400 Ca 0.04 1.26 -0.21 0.00 0.36 0.00 0.00 54.97 56.42 1q3g s GLU 400 Cb -0.13 -3.63 0.02 0.00 0.26 0.00 0.00 34.13 30.65 1q3g s GLU 400 CO -0.09 -0.56 0.60 0.54 -0.54 0.00 0.00 175.26 175.20 1q3g n ARG 401 N 6.07 -1.08 0.13 4.30 1.74 -1.26 -4.83 116.66 121.74 1q3g n ARG 401 Ca 0.10 0.24 -0.01 0.00 -0.77 0.00 0.00 57.85 57.41 1q3g n ARG 401 Cb 0.47 -3.44 0.15 0.00 -1.02 0.00 0.00 32.46 28.61 1q3g n ARG 401 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1q3g h ILE 402 N -2.19 1.39 -0.39 0.55 2.10 -1.95 -2.54 117.51 114.48 1q3g h ILE 402 Ca -0.68 -2.22 0.01 0.00 1.08 0.00 0.00 64.86 63.05 1q3g h ILE 402 Cb 1.39 2.22 -0.02 0.00 -1.09 0.00 0.00 36.82 39.31 1q3g h ILE 402 CO 0.55 0.62 0.24 -0.08 -1.08 0.00 0.00 178.15 178.39 1q3g h GLU 403 N 0.00 0.46 -0.11 2.19 4.81 -1.94 0.06 114.58 120.06 1q3g h GLU 403 Ca -0.01 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.14 1q3g h GLU 403 Cb 1.17 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 1q3g h GLU 403 CO 0.08 0.31 -0.14 -0.44 -0.73 0.00 0.00 179.01 178.09 1q3g h ASP 404 N 0.48 0.32 -0.73 1.04 3.45 -1.92 -2.08 116.42 116.98 1q3g h ASP 404 Ca 0.15 -0.51 0.01 0.00 0.43 0.00 0.00 57.03 57.10 1q3g h ASP 404 Cb -0.01 -0.09 -0.04 0.00 -0.56 0.00 0.00 39.33 38.64 1q3g h ASP 404 CO -0.06 0.77 0.47 0.11 -1.57 0.00 0.00 179.24 178.96 1q3g h LYS 405 N -0.12 0.96 -0.54 3.56 1.57 -1.36 -0.48 116.57 120.17 1q3g h LYS 405 Ca 0.01 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.62 1q3g h LYS 405 Cb 0.69 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1q3g h LYS 405 CO 0.03 0.65 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.38 1q3g h LEU 406 N 0.99 1.01 -0.47 2.94 3.38 -1.02 -2.90 115.31 119.25 1q3g h LEU 406 Ca 0.27 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1q3g h LEU 406 Cb -0.10 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.35 1q3g h LEU 406 CO -0.06 1.13 0.28 -0.09 0.09 0.00 0.00 178.44 179.79 1q3g h ARG 407 N 0.90 0.63 0.00 1.13 2.43 -0.92 -0.17 114.38 118.39 1q3g h ARG 407 Ca 0.14 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1q3g h ARG 407 Cb 0.68 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1q3g h ARG 407 CO 0.05 0.47 0.00 0.00 -1.51 0.00 0.00 179.97 178.98 1q3g n ALA 408 N -2.25 1.43 0.30 2.80 0.00 -0.23 -0.36 120.51 122.20 1q3g n ALA 408 Ca 0.02 -0.02 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1q3g n ALA 408 Cb 0.06 -1.08 0.12 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.27 2.62 0.00 0.00 4.77 -0.14 -4.71 117.00 118.27 1q3g n LEU 409 Ca 0.02 -1.38 0.00 0.00 -0.03 0.00 0.00 56.01 54.62 1q3g n LEU 409 Cb 0.04 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1q3g n LEU 409 CO 0.04 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1q3g n GLY 410 N 0.85 0.94 3.78 -0.72 0.00 0.52 -0.87 105.19 109.70 1q3g n GLY 410 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 3.06 -0.79 4.61 0.00 -0.82 -4.82 121.76 121.00 1q3g s ALA 411 Ca 0.00 0.70 -0.08 0.00 0.00 0.00 0.00 51.96 52.58 1q3g s ALA 411 Cb 0.00 -3.27 0.20 0.00 0.00 0.00 0.00 23.12 20.05 1q3g s ALA 411 CO 0.00 -0.24 0.69 1.21 0.00 0.00 0.00 175.76 177.42 1q3g s ASN 412 N -1.61 6.16 0.05 0.00 3.84 -1.26 -4.48 114.94 117.65 1q3g s ASN 412 Ca 0.59 -2.98 0.04 0.00 0.21 0.00 0.00 52.86 50.72 1q3g s ASN 412 Cb -0.21 -2.04 -0.02 0.00 -0.55 0.00 0.00 41.25 38.42 1q3g s ASN 412 CO 0.27 -0.42 -0.12 -0.51 -2.79 0.00 0.00 177.10 173.52 1q3g s ILE 413 N -0.26 0.96 -0.12 -5.21 2.07 -1.26 -0.85 121.20 116.53 1q3g s ILE 413 Ca 0.20 -1.10 -0.09 0.00 -1.41 0.00 0.00 60.65 58.26 1q3g s ILE 413 Cb -0.13 -0.92 0.04 0.00 0.13 0.00 0.00 42.46 41.57 1q3g s ILE 413 CO -0.07 -0.16 0.30 -0.70 -1.91 0.00 0.00 174.94 172.40 1q3g s GLU 414 N -1.41 0.31 -0.26 3.50 2.12 -0.31 -4.98 118.70 117.67 1q3g s GLU 414 Ca -0.02 0.50 -0.20 0.00 0.36 0.00 0.00 54.97 55.60 1q3g s GLU 414 Cb -0.09 0.06 -0.02 0.00 0.26 0.00 0.00 34.13 34.35 1q3g s GLU 414 CO 0.01 -0.09 0.64 0.50 -0.54 0.00 0.00 175.26 175.78 1q3g s ARG 415 N 0.64 4.08 -0.34 4.30 3.52 -1.26 -0.02 118.95 129.85 1q3g s ARG 415 Ca -0.04 0.52 -0.11 0.00 -0.13 0.00 0.00 55.73 55.97 1q3g s ARG 415 Cb -0.05 -3.66 0.01 0.00 -1.56 0.00 0.00 34.95 29.68 1q3g s ARG 415 CO -0.04 -0.44 0.19 0.14 -0.81 0.00 0.00 175.30 174.33 1q3g s VAL 416 N 2.53 4.65 1.29 7.11 -7.23 0.69 -4.92 120.40 124.53 1q3g s VAL 416 Ca 0.26 -0.60 -0.19 0.00 -1.81 0.00 0.00 61.98 59.64 1q3g s VAL 416 Cb -0.15 -3.48 0.32 0.00 0.56 0.00 0.00 36.38 33.63 1q3g s VAL 416 CO 0.09 -0.08 1.01 -0.54 -0.31 0.00 0.00 175.10 175.27 1q3g s LYS 417 N 1.60 -1.89 -0.36 4.82 -0.14 -1.26 -1.71 119.74 120.79 1q3g s LYS 417 Ca 0.04 0.25 -0.11 0.00 -1.36 0.00 0.00 55.97 54.79 1q3g s LYS 417 Cb -0.18 -1.49 0.02 0.00 -1.68 0.00 0.00 37.83 34.50 1q3g s LYS 417 CO 0.07 -4.22 0.35 0.41 -0.76 0.00 0.00 175.35 171.20 1q3g n GLY 418 N 0.50 -0.33 1.42 -3.33 0.00 -1.26 -4.80 105.19 97.38 1q3g n GLY 418 Ca 0.10 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.61 1q3g n GLY 418 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48