#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d1q s VAL 35 N 0.00 5.01 -0.01 1.08 -7.23 -1.26 -5.01 120.40 112.97 3d1q s VAL 35 Ca 0.00 0.68 -0.23 0.00 -1.81 0.00 0.00 61.98 60.62 3d1q s VAL 35 Cb 0.00 -3.70 -0.19 0.00 0.56 0.00 0.00 36.38 33.05 3d1q s VAL 35 CO 0.00 0.38 1.20 0.74 -0.31 0.00 0.00 175.10 177.10 3d1q h THR 36 N 3.13 1.44 -3.28 5.32 2.02 -2.07 -3.44 112.91 116.03 3d1q h THR 36 Ca -0.50 -1.54 -0.46 0.00 0.77 0.00 0.00 66.41 64.68 3d1q h THR 36 Cb 1.20 2.31 -0.37 0.00 -1.74 0.00 0.00 68.15 69.55 3d1q h THR 36 CO 0.65 0.43 -0.78 -1.61 0.37 0.00 0.00 175.52 174.57 3d1q s GLU 37 N -3.80 0.97 0.65 6.66 0.41 -1.26 -5.10 118.70 117.23 3d1q s GLU 37 Ca -0.15 -0.06 -0.11 0.00 -0.41 0.00 0.00 54.97 54.23 3d1q s GLU 37 Cb 0.03 -1.14 -0.02 0.00 -1.78 0.00 0.00 34.13 31.21 3d1q s GLU 37 CO 0.73 -0.23 1.04 -1.25 -0.49 0.00 0.00 175.26 175.06 3d1q s PRO 38 N 1.62 3.32 0.28 0.39 0.04 -1.26 -4.86 135.00 134.53 3d1q s PRO 38 Ca 0.01 0.87 -0.29 0.00 0.04 0.00 0.00 61.00 61.62 3d1q s PRO 38 Cb -0.13 -2.04 -0.14 0.00 0.04 0.00 0.00 34.50 32.23 3d1q s PRO 38 CO -0.05 -0.79 1.18 0.28 0.04 0.00 0.00 177.00 177.67 3d1q n VAL 39 N -2.82 1.67 0.00 -0.36 0.31 -1.26 -1.04 118.33 114.83 3d1q n VAL 39 Ca 0.07 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 3d1q n VAL 39 Cb 0.54 -1.24 0.00 0.00 -0.91 0.00 0.00 33.84 32.23 3d1q n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3d1q n GLY 40 N 1.36 1.61 0.62 2.92 0.00 -1.26 -4.67 105.19 105.77 3d1q n GLY 40 Ca 0.09 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.17 3d1q n GLY 40 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3d1q n SER 41 N 0.00 1.49 -0.35 1.61 7.64 -0.20 -4.81 113.62 119.00 3d1q n SER 41 Ca 0.00 -3.01 0.09 0.00 1.01 0.00 0.00 58.87 56.95 3d1q n SER 41 Cb 0.00 -0.41 0.26 0.00 -1.01 0.00 0.00 64.21 63.05 3d1q n SER 41 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 3d1q h TYR 42 N 0.58 1.07 -0.11 1.43 0.05 -1.90 -1.30 116.97 116.79 3d1q h TYR 42 Ca -0.05 0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.80 3d1q h TYR 42 Cb 1.24 -0.33 -0.00 0.00 1.01 0.00 0.00 36.73 38.65 3d1q h TYR 42 CO 0.33 0.35 0.16 0.00 -1.05 0.00 0.00 178.16 177.96 3d1q h ALA 43 N 1.57 1.60 0.00 3.88 0.00 -1.95 -0.74 119.26 123.62 3d1q h ALA 43 Ca 0.51 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.42 3d1q h ALA 43 Cb 0.62 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3d1q h ALA 43 CO -0.31 -0.22 0.00 0.00 0.00 0.00 0.00 179.25 178.72 3d1q h ARG 44 N 0.00 0.00 0.00 0.00 3.08 -1.63 -1.36 114.38 114.47 3d1q h ARG 44 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3d1q h ARG 44 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3d1q h ARG 44 CO -0.00 0.00 -0.11 0.00 -1.07 0.00 0.00 179.97 178.79 3d1q h ALA 45 N 2.02 0.93 -2.24 0.04 0.00 -1.30 -3.46 119.26 115.25 3d1q h ALA 45 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.44 3d1q h ALA 45 Cb 0.10 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.92 3d1q h ALA 45 CO 0.00 0.00 0.37 -1.21 0.00 0.00 0.00 179.25 178.41 3d1q s GLU 46 N -3.15 3.76 -0.38 0.00 0.41 -0.52 -5.01 118.70 113.81 3d1q s GLU 46 Ca 0.09 1.10 -0.21 0.00 -0.41 0.00 0.00 54.97 55.53 3d1q s GLU 46 Cb 0.10 -2.10 0.01 0.00 -1.78 0.00 0.00 34.13 30.36 3d1q s GLU 46 CO 0.64 -0.44 0.65 1.03 -0.49 0.00 0.00 175.26 176.65 3d1q s ARG 47 N -3.89 3.58 0.29 1.61 0.52 -1.26 -4.95 118.95 114.83 3d1q s ARG 47 Ca 0.62 -0.04 0.02 0.00 -0.52 0.00 0.00 55.73 55.80 3d1q s ARG 47 Cb -0.12 -3.85 0.60 0.00 0.52 0.00 0.00 34.95 32.10 3d1q s ARG 47 CO 0.30 -0.82 1.82 -1.35 0.02 0.00 0.00 175.30 175.26 3d1q h PRO 48 N 8.59 0.89 0.00 3.54 0.11 -1.94 -0.93 132.00 142.25 3d1q h PRO 48 Ca -0.26 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3d1q h PRO 48 Cb 1.11 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3d1q h PRO 48 CO 0.86 0.59 0.00 -0.56 -0.21 0.00 0.00 178.00 178.68 3d1q h GLN 49 N 0.91 0.00 -0.12 1.05 -0.00 -1.92 -1.06 115.11 113.97 3d1q h GLN 49 Ca 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.17 3d1q h GLN 49 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.08 3d1q h GLN 49 CO -0.30 0.00 0.00 -0.25 -0.00 0.00 0.00 178.83 178.28 3d1q n ASP 50 N -2.34 1.97 -1.26 0.06 8.00 -0.35 -4.16 116.55 118.46 3d1q n ASP 50 Ca -0.01 -1.70 0.03 0.00 0.71 0.00 0.00 54.79 53.82 3d1q n ASP 50 Cb 0.05 -0.07 0.09 0.00 -0.02 0.00 0.00 41.12 41.17 3d1q n ASP 50 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3d1q n PHE 51 N 0.52 0.20 -2.01 1.24 3.01 -0.40 -4.83 117.46 115.19 3d1q n PHE 51 Ca 0.17 -1.06 -0.38 0.00 1.01 0.00 0.00 57.45 57.20 3d1q n PHE 51 Cb 0.40 -0.20 0.01 0.00 -0.01 0.00 0.00 39.48 39.69 3d1q n PHE 51 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3d1q s GLU 52 N -1.62 3.49 0.53 -1.08 2.02 -1.24 -3.20 118.70 117.60 3d1q s GLU 52 Ca 0.36 2.03 -0.22 0.00 0.02 0.00 0.00 54.97 57.17 3d1q s GLU 52 Cb 0.38 -2.38 -0.06 0.00 0.10 0.00 0.00 34.13 32.17 3d1q s GLU 52 CO -0.11 -0.84 1.18 0.41 0.02 0.00 0.00 175.26 175.91 3d1q n GLY 53 N 0.60 0.27 0.00 -1.39 0.00 -1.26 -4.31 105.19 99.09 3d1q n GLY 53 Ca 0.08 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3d1q n GLY 53 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3d1q n PHE 54 N -1.05 0.00 -3.58 1.61 1.16 0.60 -4.86 117.46 111.34 3d1q n PHE 54 Ca 0.11 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.54 3d1q n PHE 54 Cb 0.44 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.25 3d1q n PHE 54 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 3d1q s VAL 55 N 0.00 0.02 -0.61 1.97 0.11 -1.16 -5.01 120.40 115.73 3d1q s VAL 55 Ca 0.00 -0.19 -0.26 0.00 -2.93 0.00 0.00 61.98 58.59 3d1q s VAL 55 Cb 0.00 -0.93 0.04 0.00 -1.53 0.00 0.00 36.38 33.96 3d1q s VAL 55 CO 0.00 -0.11 1.11 0.26 -3.33 0.00 0.00 175.10 173.04 3d1q s TRP 56 N -1.89 2.61 0.20 1.54 0.52 -1.24 -0.88 118.94 119.81 3d1q s TRP 56 Ca -0.08 0.11 -0.29 0.00 0.02 0.00 0.00 56.10 55.86 3d1q s TRP 56 Cb -0.01 -4.38 -0.08 0.00 -1.15 0.00 0.00 33.47 27.84 3d1q s TRP 56 CO 0.03 -1.61 0.90 0.50 0.02 0.00 0.00 176.95 176.79 3d1q s ARG 57 N 4.72 4.77 -0.27 4.98 3.52 0.13 -1.61 118.95 135.19 3d1q s ARG 57 Ca 0.36 1.41 -0.29 0.00 -0.13 0.00 0.00 55.73 57.07 3d1q s ARG 57 Cb -0.10 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 30.00 3d1q s ARG 57 CO 0.20 0.48 1.23 -1.17 -0.81 0.00 0.00 175.30 175.23 3d1q s LEU 58 N -0.99 3.97 0.31 -0.88 2.96 -0.38 -1.28 118.68 122.40 3d1q s LEU 58 Ca 0.41 1.29 0.20 0.00 -0.22 0.00 0.00 54.13 55.81 3d1q s LEU 58 Cb -0.25 -3.54 0.15 0.00 0.50 0.00 0.00 46.19 43.05 3d1q s LEU 58 CO 0.30 -0.94 1.37 0.44 -1.32 0.00 0.00 176.35 176.21 3d1q h ASP 59 N 8.68 0.00 -3.22 3.68 3.32 -1.37 -3.45 116.42 124.06 3d1q h ASP 59 Ca -0.24 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.83 3d1q h ASP 59 Cb 1.09 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.41 3d1q h ASP 59 CO 1.02 0.18 0.15 0.21 -1.72 0.00 0.00 179.24 179.08 3d1q s ASN 60 N -6.05 -0.78 0.00 6.45 3.84 -1.26 -4.69 114.94 112.45 3d1q s ASN 60 Ca 0.04 1.33 0.28 0.00 0.21 0.00 0.00 52.86 54.72 3d1q s ASN 60 Cb 0.07 1.33 1.61 0.00 -0.55 0.00 0.00 41.25 43.71 3d1q s ASN 60 CO 0.73 -0.22 2.02 -0.90 -2.79 0.00 0.00 177.10 175.95 3d1q n ASP 61 N 3.57 0.00 -0.09 -4.21 5.68 -1.26 -4.71 116.55 115.53 3d1q n ASP 61 Ca -0.17 -0.63 -0.01 0.00 -0.50 0.00 0.00 54.79 53.48 3d1q n ASP 61 Cb 0.57 -0.10 -0.00 0.00 -1.14 0.00 0.00 41.12 40.45 3d1q n ASP 61 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3d1q n GLY 62 N 0.89 0.32 0.10 6.12 0.00 -1.26 -4.90 105.19 106.46 3d1q n GLY 62 Ca 0.19 -0.04 -0.03 0.00 0.00 0.00 0.00 46.02 46.13 3d1q n GLY 62 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d1q h LYS 63 N 0.39 0.00 -6.47 1.61 1.57 -1.97 -3.46 116.57 108.25 3d1q h LYS 63 Ca -0.02 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.27 3d1q h LYS 63 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 3d1q h LYS 63 CO 0.03 0.78 -0.20 -1.21 -0.57 0.00 0.00 179.45 178.28 3d1q s GLU 64 N -2.96 3.51 0.39 3.15 0.41 -1.26 -5.00 118.70 116.94 3d1q s GLU 64 Ca 0.01 -0.28 0.15 0.00 -0.41 0.00 0.00 54.97 54.44 3d1q s GLU 64 Cb 0.10 -2.68 0.80 0.00 -1.78 0.00 0.00 34.13 30.56 3d1q s GLU 64 CO 0.78 0.19 1.84 0.00 -0.49 0.00 0.00 175.26 177.59 3d1q h ALA 65 N 1.07 1.31 -2.18 5.21 0.00 -1.99 -3.45 119.26 119.22 3d1q h ALA 65 Ca -0.49 -0.32 -0.44 0.00 0.00 0.00 0.00 54.91 53.66 3d1q h ALA 65 Cb 1.21 -0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.80 3d1q h ALA 65 CO 0.63 0.43 -0.71 -0.51 0.00 0.00 0.00 179.25 179.09 3d1q s LEU 66 N -7.91 2.51 1.01 0.00 1.43 -1.26 -4.47 118.68 109.99 3d1q s LEU 66 Ca -0.02 -1.08 -0.12 0.00 -1.03 0.00 0.00 54.13 51.88 3d1q s LEU 66 Cb 0.14 -0.61 0.19 0.00 0.03 0.00 0.00 46.19 45.95 3d1q s LEU 66 CO 0.70 -0.25 1.09 -2.16 0.23 0.00 0.00 176.35 175.96 3d1q s PRO 67 N -3.69 0.34 0.63 1.29 0.04 -1.26 -5.00 135.00 127.35 3d1q s PRO 67 Ca 0.24 0.54 -0.14 0.00 0.04 0.00 0.00 61.00 61.68 3d1q s PRO 67 Cb 0.01 -1.73 -0.02 0.00 0.04 0.00 0.00 34.50 32.80 3d1q s PRO 67 CO 0.08 -2.80 1.05 1.03 0.04 0.00 0.00 177.00 176.40 3d1q s ARG 68 N -4.94 3.24 -1.56 4.56 1.81 -1.26 -3.84 118.95 116.95 3d1q s ARG 68 Ca 0.65 1.07 0.00 0.00 -1.72 0.00 0.00 55.73 55.74 3d1q s ARG 68 Cb -0.19 -2.03 0.00 0.00 -0.45 0.00 0.00 34.95 32.28 3d1q s ARG 68 CO 0.58 -0.87 0.00 0.09 -0.68 0.00 0.00 175.30 174.42 3d1q n ASN 69 N -2.44 -5.13 -4.71 0.23 3.02 -1.26 -0.67 115.26 104.31 3d1q n ASN 69 Ca 0.08 0.11 -0.42 0.00 -0.03 0.00 0.00 54.58 54.32 3d1q n ASN 69 Cb 0.53 -4.33 -0.03 0.00 -0.61 0.00 0.00 39.78 35.35 3d1q n ASN 69 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3d1q s PHE 70 N -2.84 3.03 0.05 3.10 5.36 -1.25 -4.07 117.98 121.36 3d1q s PHE 70 Ca 0.00 0.77 -0.20 0.00 -0.96 0.00 0.00 56.93 56.54 3d1q s PHE 70 Cb 0.00 -3.77 0.04 0.00 -0.34 0.00 0.00 43.02 38.95 3d1q s PHE 70 CO 0.00 -2.83 0.46 -0.98 -1.46 0.00 0.00 175.22 170.40 3d1q s ARG 71 N 1.53 0.98 0.17 10.12 1.70 -0.77 -4.98 118.95 127.70 3d1q s ARG 71 Ca 0.67 -0.34 0.04 0.00 -0.47 0.00 0.00 55.73 55.63 3d1q s ARG 71 Cb -0.38 0.44 -0.05 0.00 -0.57 0.00 0.00 34.95 34.40 3d1q s ARG 71 CO 0.30 -0.35 -0.08 0.95 -1.08 0.00 0.00 175.30 175.04 3d1q s THR 72 N -2.59 1.18 -2.00 4.99 -4.23 -1.26 -1.20 115.64 110.53 3d1q s THR 72 Ca -0.05 -2.07 0.18 0.00 -1.18 0.00 0.00 61.69 58.58 3d1q s THR 72 Cb -0.01 -1.98 0.52 0.00 1.34 0.00 0.00 72.50 72.38 3d1q s THR 72 CO -0.03 -0.64 1.50 -1.54 -0.54 0.00 0.00 174.62 173.37 3d1q n SER 73 N -0.26 0.00 -0.36 3.99 3.41 0.15 -1.70 113.62 118.84 3d1q n SER 73 Ca -0.09 -0.59 0.12 0.00 -0.26 0.00 0.00 58.87 58.05 3d1q n SER 73 Cb 0.61 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.72 3d1q n SER 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d1q n ALA 74 N -0.99 3.41 -1.58 7.33 0.00 -1.26 -4.52 120.51 122.90 3d1q n ALA 74 Ca 0.14 -0.54 -0.32 0.00 0.00 0.00 0.00 53.44 52.72 3d1q n ALA 74 Cb 0.06 -0.94 0.04 0.00 0.00 0.00 0.00 19.45 18.61 3d1q n ALA 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3d1q s ASP 75 N -2.52 5.45 0.50 0.00 1.01 -0.69 -5.02 116.67 115.41 3d1q s ASP 75 Ca 0.20 1.76 -0.20 0.00 0.71 0.00 0.00 52.55 55.02 3d1q s ASP 75 Cb 0.18 -2.52 -0.07 0.00 1.01 0.00 0.00 42.92 41.52 3d1q s ASP 75 CO 0.56 -1.40 1.10 0.00 0.21 0.00 0.00 175.17 175.65 3d1q s ALA 76 N -2.71 2.81 0.30 5.23 0.00 -1.26 -4.96 121.76 121.17 3d1q s ALA 76 Ca 0.61 0.76 -0.25 0.00 0.00 0.00 0.00 51.96 53.09 3d1q s ALA 76 Cb -0.16 -3.32 -0.10 0.00 0.00 0.00 0.00 23.12 19.54 3d1q s ALA 76 CO 0.46 -0.57 0.90 -0.51 0.00 0.00 0.00 175.76 176.04 3d1q s LEU 77 N -3.52 4.34 0.44 0.00 1.43 -1.26 -4.66 118.68 115.46 3d1q s LEU 77 Ca 0.69 1.75 0.06 0.00 -1.03 0.00 0.00 54.13 55.59 3d1q s LEU 77 Cb -0.22 -3.93 -0.05 0.00 0.03 0.00 0.00 46.19 42.02 3d1q s LEU 77 CO 0.26 -0.05 0.08 -0.13 0.23 0.00 0.00 176.35 176.74 3d1q s ARG 78 N -2.05 2.10 0.48 1.70 0.52 0.14 -5.00 118.95 116.85 3d1q s ARG 78 Ca 0.49 -2.11 -0.23 0.00 -0.52 0.00 0.00 55.73 53.36 3d1q s ARG 78 Cb -0.18 -1.73 -0.08 0.00 0.52 0.00 0.00 34.95 33.47 3d1q s ARG 78 CO 0.23 -0.18 1.12 0.00 0.02 0.00 0.00 175.30 176.49 3d1q n ALA 79 N -1.16 0.67 -1.62 2.13 0.00 -1.26 -4.68 120.51 114.58 3d1q n ALA 79 Ca -0.07 0.18 -0.32 0.00 0.00 0.00 0.00 53.44 53.23 3d1q n ALA 79 Cb 0.66 -2.17 0.03 0.00 0.00 0.00 0.00 19.45 17.97 3d1q n ALA 79 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3d1q s PRO 80 N -2.34 3.16 0.24 0.00 0.04 -1.26 -4.94 135.00 129.91 3d1q s PRO 80 Ca 0.66 1.09 -0.30 0.00 0.04 0.00 0.00 61.00 62.50 3d1q s PRO 80 Cb -0.49 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 31.94 3d1q s PRO 80 CO 0.54 -0.93 1.20 -1.21 0.04 0.00 0.00 177.00 176.64 3d1q s GLU 81 N -4.50 4.50 0.29 4.56 2.02 -1.26 -4.92 118.70 119.38 3d1q s GLU 81 Ca 0.61 1.94 0.02 0.00 0.02 0.00 0.00 54.97 57.55 3d1q s GLU 81 Cb -0.15 -3.19 0.57 0.00 0.10 0.00 0.00 34.13 31.46 3d1q s GLU 81 CO 0.45 -0.04 1.84 0.87 0.02 0.00 0.00 175.26 178.39 3d1q h LYS 82 N 4.53 0.95 -0.10 1.61 1.79 -1.98 -2.32 116.57 121.05 3d1q h LYS 82 Ca -0.46 -0.06 0.03 0.00 -2.18 0.00 0.00 60.65 57.98 3d1q h LYS 82 Cb 1.22 -0.21 -0.00 0.00 -1.58 0.00 0.00 32.23 31.65 3d1q h LYS 82 CO 0.71 0.63 0.21 1.57 -1.08 0.00 0.00 179.45 181.49 3d1q h LYS 83 N 0.98 0.00 -0.01 3.15 2.10 -2.00 0.72 116.57 121.51 3d1q h LYS 83 Ca 0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.15 3d1q h LYS 83 Cb 0.51 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 3d1q h LYS 83 CO -0.27 0.00 -0.06 1.19 -2.00 0.00 0.00 179.45 178.31 3d1q n PHE 84 N -3.37 0.00 -3.96 0.07 3.01 -0.87 -4.52 117.46 107.82 3d1q n PHE 84 Ca -0.00 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.14 3d1q n PHE 84 Cb 0.30 -0.04 -0.01 0.00 -0.01 0.00 0.00 39.48 39.73 3d1q n PHE 84 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 3d1q n HIS 85 N -0.18 -1.61 -3.01 1.38 8.25 0.24 -4.73 115.22 115.57 3d1q n HIS 85 Ca 0.18 0.51 -0.18 0.00 -0.26 0.00 0.00 57.72 57.97 3d1q n HIS 85 Cb 0.33 -3.33 0.02 0.00 1.12 0.00 0.00 29.99 28.13 3d1q n HIS 85 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3d1q s LEU 86 N -6.99 3.53 -0.61 2.41 1.43 -1.26 -5.05 118.68 112.14 3d1q s LEU 86 Ca 0.23 -0.50 -0.23 0.00 -1.03 0.00 0.00 54.13 52.60 3d1q s LEU 86 Cb -0.10 -2.45 0.06 0.00 0.03 0.00 0.00 46.19 43.72 3d1q s LEU 86 CO 0.91 -0.89 0.96 -0.62 0.23 0.00 0.00 176.35 176.94 3d1q s ASP 87 N -4.42 6.24 0.48 2.29 2.15 -1.26 -4.88 116.67 117.27 3d1q s ASP 87 Ca 0.57 -0.68 0.33 0.00 0.43 0.00 0.00 52.55 53.19 3d1q s ASP 87 Cb -0.09 -2.43 1.60 0.00 -0.30 0.00 0.00 42.92 41.70 3d1q s ASP 87 CO 0.34 -1.35 1.98 0.00 -0.17 0.00 0.00 175.17 175.97 3d1q h ALA 88 N 9.47 1.00 0.00 3.66 0.00 -1.96 -1.88 119.26 129.54 3d1q h ALA 88 Ca -0.28 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 3d1q h ALA 88 Cb 1.07 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3d1q h ALA 88 CO 1.14 0.00 -0.56 0.00 0.00 0.00 0.00 179.25 179.83 3d1q h ALA 89 N 2.05 0.65 -2.71 0.00 0.00 -2.04 -3.46 119.26 113.75 3d1q h ALA 89 Ca 0.00 -0.50 -0.53 0.00 0.00 0.00 0.00 54.91 53.88 3d1q h ALA 89 Cb 0.20 -0.07 0.08 0.00 0.00 0.00 0.00 17.79 17.99 3d1q h ALA 89 CO 0.00 0.68 0.91 0.98 0.00 0.00 0.00 179.25 181.82 3d1q n TYR 90 N -3.22 2.79 -3.67 0.00 9.36 -0.71 -4.98 117.16 116.73 3d1q n TYR 90 Ca 0.01 0.19 -0.39 0.00 3.32 0.00 0.00 57.90 61.04 3d1q n TYR 90 Cb 0.75 -2.62 -0.11 0.00 -0.63 0.00 0.00 39.34 36.74 3d1q n TYR 90 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3d1q s VAL 91 N 0.40 3.92 0.39 2.97 1.01 -1.26 -5.06 120.40 122.77 3d1q s VAL 91 Ca 0.68 -1.50 -0.26 0.00 0.00 0.00 0.00 61.98 60.90 3d1q s VAL 91 Cb -0.51 -3.42 -0.09 0.00 0.00 0.00 0.00 36.38 32.36 3d1q s VAL 91 CO 0.43 -0.48 1.25 -2.84 0.00 0.00 0.00 175.10 173.46 3d1q s PRO 92 N 1.36 4.09 0.45 2.72 0.02 -1.26 -4.97 135.00 137.40 3d1q s PRO 92 Ca 0.03 2.05 -0.25 0.00 0.02 0.00 0.00 61.00 62.85 3d1q s PRO 92 Cb -0.22 -2.80 -0.08 0.00 0.02 0.00 0.00 34.50 31.41 3d1q s PRO 92 CO 0.01 -0.36 1.38 0.45 -0.33 0.00 0.00 177.00 178.15 3d1q s SER 93 N -0.82 5.96 -0.01 2.53 0.15 -1.26 -4.90 113.70 115.35 3d1q s SER 93 Ca 0.55 2.82 0.19 0.00 0.70 0.00 0.00 55.95 60.20 3d1q s SER 93 Cb -0.36 -2.65 0.55 0.00 -1.71 0.00 0.00 66.02 61.85 3d1q s SER 93 CO 0.46 -1.11 1.46 0.54 1.20 0.00 0.00 173.24 175.79 3d1q n ARG 94 N -0.17 2.81 -1.69 5.44 1.74 -1.26 -4.93 116.66 118.60 3d1q n ARG 94 Ca 0.05 -2.49 -0.51 0.00 -0.77 0.00 0.00 57.85 54.13 3d1q n ARG 94 Cb 0.43 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.32 3d1q n ARG 94 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3d1q n GLU 95 N 1.27 1.80 -0.21 5.56 4.07 -1.26 -1.12 120.64 130.75 3d1q n GLU 95 Ca 0.21 0.66 0.00 0.00 -0.06 0.00 0.00 57.16 57.96 3d1q n GLU 95 Cb 0.57 -2.44 0.00 0.00 -0.06 0.00 0.00 31.44 29.52 3d1q n GLU 95 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3d1q n GLY 96 N 4.20 1.49 0.23 8.31 0.00 -1.26 -4.94 105.19 113.21 3d1q n GLY 96 Ca 0.23 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.17 3d1q n GLY 96 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3d1q h MET 97 N 3.11 0.59 0.00 1.61 2.86 -1.44 -1.55 114.93 120.11 3d1q h MET 97 Ca 0.00 -0.32 -0.07 0.00 -2.06 0.00 0.00 59.70 57.25 3d1q h MET 97 Cb 0.00 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 3d1q h MET 97 CO 0.00 0.91 -0.34 -0.44 1.06 0.00 0.00 176.91 178.10 3d1q h ASP 98 N 0.48 0.00 0.07 1.22 3.45 -1.79 -2.32 116.42 117.52 3d1q h ASP 98 Ca 0.03 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.49 3d1q h ASP 98 Cb 0.95 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.72 3d1q h ASP 98 CO 0.09 0.34 -0.36 0.00 -1.57 0.00 0.00 179.24 177.74 3d1q n ALA 99 N -2.37 3.30 -0.03 3.45 0.00 -1.17 -4.49 120.51 119.20 3d1q n ALA 99 Ca -0.01 -0.56 -0.10 0.00 0.00 0.00 0.00 53.44 52.76 3d1q n ALA 99 Cb 0.42 -0.92 -0.04 0.00 0.00 0.00 0.00 19.45 18.91 3d1q n ALA 99 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3d1q h LEU 100 N 2.16 0.20 -2.42 0.00 5.85 -0.69 -3.48 115.31 116.94 3d1q h LEU 100 Ca 0.00 -0.04 -0.23 0.00 0.84 0.00 0.00 57.88 58.45 3d1q h LEU 100 Cb 0.68 -0.05 0.17 0.00 0.37 0.00 0.00 40.66 41.83 3d1q h LEU 100 CO 0.00 0.18 -0.74 1.41 -0.34 0.00 0.00 178.44 178.94 3d1q n HIS 101 N -4.95 -2.14 -4.15 1.25 8.25 -1.26 -4.89 115.22 107.33 3d1q n HIS 101 Ca -0.04 0.76 -0.10 0.00 -0.26 0.00 0.00 57.72 58.09 3d1q n HIS 101 Cb 0.05 -4.03 -0.10 0.00 1.12 0.00 0.00 29.99 27.03 3d1q n HIS 101 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 3d1q s ILE 102 N -3.34 0.44 0.26 1.59 -4.36 -1.26 -2.09 121.20 112.44 3d1q s ILE 102 Ca 0.35 -1.90 -0.11 0.00 -0.26 0.00 0.00 60.65 58.74 3d1q s ILE 102 Cb -0.05 -1.77 -0.01 0.00 1.25 0.00 0.00 42.46 41.88 3d1q s ILE 102 CO 0.65 -0.77 0.45 -0.94 0.24 0.00 0.00 174.94 174.57 3d1q s SER 103 N -3.03 0.04 0.14 4.36 1.04 -0.14 -0.67 113.70 115.43 3d1q s SER 103 Ca 0.15 -1.04 -0.14 0.00 0.48 0.00 0.00 55.95 55.39 3d1q s SER 103 Cb 0.07 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.79 3d1q s SER 103 CO -0.04 -1.14 0.38 -0.83 0.98 0.00 0.00 173.24 172.60 3d1q s GLY 104 N -3.06 -0.11 0.06 7.32 0.00 -0.34 -0.72 107.32 110.47 3d1q s GLY 104 Ca 0.25 -0.25 -0.27 0.00 0.00 0.00 0.00 44.72 44.45 3d1q s GLY 104 CO 0.11 -0.43 1.17 -1.35 0.00 0.00 0.00 173.10 172.60 3d1q s SER 105 N -2.84 -0.04 0.99 1.64 1.04 -0.65 -1.84 113.70 111.98 3d1q s SER 105 Ca 0.06 -0.33 -0.11 0.00 0.48 0.00 0.00 55.95 56.05 3d1q s SER 105 Cb 0.02 0.29 0.15 0.00 0.10 0.00 0.00 66.02 66.59 3d1q s SER 105 CO -0.09 -0.57 0.90 -1.54 0.98 0.00 0.00 173.24 172.93 3d1q n SER 106 N -0.83 0.10 -4.66 7.02 3.41 0.16 -3.37 113.62 115.45 3d1q n SER 106 Ca -0.04 -1.34 -0.29 0.00 -0.26 0.00 0.00 58.87 56.94 3d1q n SER 106 Cb 0.61 -0.69 0.17 0.00 -0.26 0.00 0.00 64.21 64.04 3d1q n SER 106 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d1q s ALA 107 N -3.95 0.95 0.20 7.33 0.00 0.02 -4.71 121.76 121.60 3d1q s ALA 107 Ca 0.51 -0.13 -0.10 0.00 0.00 0.00 0.00 51.96 52.24 3d1q s ALA 107 Cb -0.01 -3.19 -0.01 0.00 0.00 0.00 0.00 23.12 19.91 3d1q s ALA 107 CO 0.36 -2.83 0.35 -0.59 0.00 0.00 0.00 175.76 173.05 3d1q s PHE 108 N -2.84 0.43 0.63 0.00 -0.12 -1.26 -4.58 117.98 110.24 3d1q s PHE 108 Ca 0.65 -0.77 -0.06 0.00 -0.05 0.00 0.00 56.93 56.69 3d1q s PHE 108 Cb -0.20 0.01 0.02 0.00 -0.63 0.00 0.00 43.02 42.22 3d1q s PHE 108 CO 0.59 -0.82 0.94 0.95 -0.05 0.00 0.00 175.22 176.83 3d1q s THR 109 N -4.00 3.30 0.27 -4.49 -4.23 -1.26 -4.65 115.64 100.57 3d1q s THR 109 Ca 0.21 -0.03 -0.05 0.00 -1.18 0.00 0.00 61.69 60.64 3d1q s THR 109 Cb 0.02 -3.34 0.26 0.00 1.34 0.00 0.00 72.50 70.78 3d1q s THR 109 CO 0.04 -0.36 1.94 -0.65 -0.54 0.00 0.00 174.62 175.05 3d1q h PRO 110 N -0.32 1.25 -0.61 3.99 0.11 -1.98 -1.51 132.00 132.94 3d1q h PRO 110 Ca -0.45 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 3d1q h PRO 110 Cb 1.27 -0.28 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 3d1q h PRO 110 CO 0.61 0.82 0.15 0.00 -0.21 0.00 0.00 178.00 179.38 3d1q h ALA 111 N 1.41 1.13 -0.61 -0.75 0.00 -1.94 -1.97 119.26 116.53 3d1q h ALA 111 Ca 0.36 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3d1q h ALA 111 Cb -0.12 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 3d1q h ALA 111 CO -0.08 0.59 0.10 1.96 0.00 0.00 0.00 179.25 181.82 3d1q h GLN 112 N 0.90 0.98 -0.62 0.00 4.20 -1.63 -2.19 115.11 116.74 3d1q h GLN 112 Ca 0.20 -0.24 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 3d1q h GLN 112 Cb 0.31 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 3d1q h GLN 112 CO -0.00 0.90 0.10 1.25 -0.67 0.00 0.00 178.83 180.41 3d1q h LEU 113 N 0.92 0.96 -1.06 1.46 5.85 -0.72 -1.32 115.31 121.39 3d1q h LEU 113 Ca 0.19 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 3d1q h LEU 113 Cb 0.39 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3d1q h LEU 113 CO 0.01 0.95 0.23 0.11 -0.34 0.00 0.00 178.44 179.41 3d1q h LYS 114 N 0.95 0.90 -0.45 1.25 1.57 -1.14 0.63 116.57 120.28 3d1q h LYS 114 Ca 0.19 -0.15 -0.09 0.00 -1.87 0.00 0.00 60.65 58.74 3d1q h LYS 114 Cb 0.40 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3d1q h LYS 114 CO 0.01 0.75 -0.07 -0.91 -0.57 0.00 0.00 179.45 178.66 3d1q h ASN 115 N 0.88 0.76 -0.06 0.86 2.35 -0.94 -1.36 115.58 118.08 3d1q h ASN 115 Ca 0.21 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3d1q h ASN 115 Cb 0.19 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 3d1q h ASN 115 CO -0.02 0.87 0.02 0.58 -1.65 0.00 0.00 177.43 177.23 3d1q h VAL 116 N 0.72 1.18 -0.92 2.81 2.07 -0.38 -1.85 116.25 119.87 3d1q h VAL 116 Ca 0.13 -0.53 0.03 0.00 0.82 0.00 0.00 66.70 67.15 3d1q h VAL 116 Cb 0.54 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 3d1q h VAL 116 CO 0.03 0.15 0.60 0.00 0.02 0.00 0.00 177.57 178.37 3d1q h ALA 117 N 0.82 1.40 -0.49 1.67 0.00 -0.74 1.00 119.26 122.91 3d1q h ALA 117 Ca 0.02 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3d1q h ALA 117 Cb 0.22 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3d1q h ALA 117 CO -0.00 0.52 0.06 0.00 0.00 0.00 0.00 179.25 179.83 3d1q h ALA 118 N 1.46 0.65 -0.06 0.00 0.00 -1.10 -0.30 119.26 119.91 3d1q h ALA 118 Ca 0.36 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3d1q h ALA 118 Cb -0.02 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3d1q h ALA 118 CO -0.10 0.41 0.03 0.87 0.00 0.00 0.00 179.25 180.45 3d1q h LYS 119 N 0.70 0.08 -0.28 0.00 1.57 -0.66 -2.85 116.57 115.13 3d1q h LYS 119 Ca 0.15 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 3d1q h LYS 119 Cb 0.43 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 3d1q h LYS 119 CO 0.01 0.18 0.00 -0.07 -0.57 0.00 0.00 179.45 179.01 3d1q h LEU 120 N -0.04 0.39 -2.16 2.94 3.38 -0.67 -2.18 115.31 116.98 3d1q h LEU 120 Ca 0.02 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3d1q h LEU 120 Cb 0.13 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3d1q h LEU 120 CO -0.00 0.45 -0.04 -0.09 0.09 0.00 0.00 178.44 178.85 3d1q h ARG 121 N 0.41 0.00 0.00 1.13 9.65 -0.81 0.16 114.38 124.91 3d1q h ARG 121 Ca 0.09 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.97 3d1q h ARG 121 Cb 0.27 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.85 3d1q h ARG 121 CO 0.01 0.04 0.00 0.39 2.80 0.00 0.00 179.97 183.20 3d1q n GLU 122 N -4.09 0.15 0.00 0.20 1.02 -0.82 -3.11 120.64 113.98 3d1q n GLU 122 Ca -0.03 0.13 0.05 0.00 -0.02 0.00 0.00 57.16 57.29 3d1q n GLU 122 Cb 0.12 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.01 3d1q n GLU 122 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3d1q n LYS 123 N -1.39 3.10 -3.52 3.49 5.02 0.53 -5.04 118.16 120.36 3d1q n LYS 123 Ca 0.07 -0.25 -0.11 0.00 -2.02 0.00 0.00 58.31 55.99 3d1q n LYS 123 Cb 0.19 -1.01 -0.03 0.00 -0.02 0.00 0.00 35.03 34.16 3d1q n LYS 123 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3d1q s THR 124 N -1.68 0.03 -0.57 -0.18 -1.32 -1.17 -5.01 115.64 105.74 3d1q s THR 124 Ca 0.06 -0.27 0.06 0.00 -1.21 0.00 0.00 61.69 60.33 3d1q s THR 124 Cb 0.08 -1.08 0.14 0.00 -1.51 0.00 0.00 72.50 70.12 3d1q s THR 124 CO 0.34 -0.14 1.02 0.00 -2.21 0.00 0.00 174.62 173.63 3d1q n ALA 125 N -0.31 2.20 -2.00 11.08 0.00 -1.26 -4.71 120.51 125.51 3d1q n ALA 125 Ca -0.16 -0.94 -0.23 0.00 0.00 0.00 0.00 53.44 52.10 3d1q n ALA 125 Cb 0.64 -0.23 0.11 0.00 0.00 0.00 0.00 19.45 19.98 3d1q n ALA 125 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3d1q s GLY 126 N -0.87 1.75 0.39 0.00 0.00 -1.25 -5.04 107.32 102.30 3d1q s GLY 126 Ca 0.11 -1.85 -0.25 0.00 0.00 0.00 0.00 44.72 42.73 3d1q s GLY 126 CO 0.08 -1.25 1.14 2.56 0.00 0.00 0.00 173.10 175.64 3d1q s PRO 127 N -5.14 4.10 -0.25 2.90 0.04 -1.26 -4.77 135.00 130.62 3d1q s PRO 127 Ca 0.67 1.78 -0.08 0.00 0.04 0.00 0.00 61.00 63.41 3d1q s PRO 127 Cb -0.05 -2.68 -0.03 0.00 0.04 0.00 0.00 34.50 31.79 3d1q s PRO 127 CO 0.44 -0.26 0.08 0.42 0.04 0.00 0.00 177.00 177.72 3d1q s ILE 128 N -1.44 4.42 -0.15 0.56 1.01 -1.26 -0.96 121.20 123.37 3d1q s ILE 128 Ca 0.57 -0.14 -0.07 0.00 0.00 0.00 0.00 60.65 61.01 3d1q s ILE 128 Cb -0.29 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 3d1q s ILE 128 CO 0.37 0.33 0.09 -0.31 0.00 0.00 0.00 174.94 175.42 3d1q s TYR 129 N 1.63 3.39 -0.56 3.97 1.51 -0.06 -0.86 117.35 126.37 3d1q s TYR 129 Ca 0.06 0.30 -0.22 0.00 -1.01 0.00 0.00 57.07 56.20 3d1q s TYR 129 Cb -0.15 -2.00 0.05 0.00 -0.11 0.00 0.00 41.96 39.75 3d1q s TYR 129 CO 0.04 0.44 0.85 0.34 -1.11 0.00 0.00 175.55 176.11 3d1q s ASP 130 N -0.31 6.28 -0.64 2.29 2.15 0.11 -0.82 116.67 125.72 3d1q s ASP 130 Ca 0.10 -0.63 -0.17 0.00 0.43 0.00 0.00 52.55 52.28 3d1q s ASP 130 Cb -0.12 -2.39 0.13 0.00 -0.30 0.00 0.00 42.92 40.24 3d1q s ASP 130 CO 0.01 -1.16 0.69 -0.69 -0.17 0.00 0.00 175.17 173.84 3d1q s VAL 131 N 3.57 5.06 -0.52 1.11 1.01 0.20 -1.83 120.40 129.00 3d1q s VAL 131 Ca 0.24 -1.43 -0.28 0.00 0.00 0.00 0.00 61.98 60.51 3d1q s VAL 131 Cb -0.15 -4.46 0.03 0.00 0.00 0.00 0.00 36.38 31.79 3d1q s VAL 131 CO 0.15 -1.06 1.14 -0.62 0.00 0.00 0.00 175.10 174.71 3d1q s ASP 132 N 3.38 6.54 -0.14 3.32 -1.08 -0.50 -2.11 116.67 126.09 3d1q s ASP 132 Ca 0.12 0.26 0.14 0.00 -0.52 0.00 0.00 52.55 52.55 3d1q s ASP 132 Cb -0.22 -2.54 0.65 0.00 -1.46 0.00 0.00 42.92 39.35 3d1q s ASP 132 CO 0.02 -1.33 1.53 0.18 0.52 0.00 0.00 175.17 176.09 3d1q n LEU 133 N 8.02 4.50 -4.58 -1.34 4.77 -0.60 -0.68 117.00 127.09 3d1q n LEU 133 Ca 0.10 -2.27 -0.41 0.00 -0.03 0.00 0.00 56.01 53.39 3d1q n LEU 133 Cb 0.49 -0.58 -0.07 0.00 -2.33 0.00 0.00 43.42 40.93 3d1q n LEU 133 CO 0.71 0.66 0.33 -0.13 -1.33 0.00 0.00 177.39 177.63 3d1q s ARG 134 N -2.06 3.73 0.27 3.23 0.52 -1.21 -2.00 118.95 121.42 3d1q s ARG 134 Ca 0.45 0.06 0.10 0.00 -0.52 0.00 0.00 55.73 55.82 3d1q s ARG 134 Cb 0.31 -3.78 0.35 0.00 0.52 0.00 0.00 34.95 32.34 3d1q s ARG 134 CO 0.18 -0.65 1.61 0.37 0.02 0.00 0.00 175.30 176.83 3d1q h GLN 135 N 8.38 0.03 -6.96 3.54 4.15 -1.38 -3.42 115.11 119.45 3d1q h GLN 135 Ca -0.27 -0.02 -0.53 0.00 0.77 0.00 0.00 58.65 58.60 3d1q h GLN 135 Cb 1.12 0.00 0.10 0.00 0.21 0.00 0.00 27.48 28.91 3d1q h GLN 135 CO 0.80 0.63 0.65 -1.83 -1.93 0.00 0.00 178.83 177.16 3d1q s GLU 136 N -3.63 3.89 0.06 1.69 1.03 -1.26 -4.78 118.70 115.70 3d1q s GLU 136 Ca -0.02 2.27 -0.31 0.00 0.03 0.00 0.00 54.97 56.95 3d1q s GLU 136 Cb 0.13 -2.74 -0.08 0.00 -0.80 0.00 0.00 34.13 30.64 3d1q s GLU 136 CO 0.77 -0.59 1.58 -1.12 -1.33 0.00 0.00 175.26 174.56 3d1q s SER 137 N -0.62 6.67 0.22 0.83 0.01 -1.26 -4.94 113.70 114.60 3d1q s SER 137 Ca 0.58 2.39 -0.08 0.00 1.31 0.00 0.00 55.95 60.15 3d1q s SER 137 Cb -0.40 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.25 3d1q s SER 137 CO 0.52 -0.84 0.34 -1.38 0.41 0.00 0.00 173.24 172.29 3d1q s HIS 138 N 2.49 0.61 -0.76 2.43 -0.00 -1.26 -0.82 115.29 117.99 3d1q s HIS 138 Ca 0.71 -0.93 0.00 0.00 -0.00 0.00 0.00 55.06 54.84 3d1q s HIS 138 Cb -0.38 -0.08 0.00 0.00 -0.00 0.00 0.00 32.58 32.12 3d1q s HIS 138 CO 0.31 -0.84 0.00 0.41 -0.00 0.00 0.00 174.74 174.62 3d1q n GLY 139 N -0.32 -0.75 2.73 -1.38 0.00 -0.37 -4.59 105.19 100.52 3d1q n GLY 139 Ca -0.02 -0.36 -0.20 0.00 0.00 0.00 0.00 46.02 45.45 3d1q n GLY 139 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3d1q s TYR 140 N -3.91 0.26 -0.29 1.61 2.02 -0.08 -0.98 117.35 115.98 3d1q s TYR 140 Ca 0.00 0.10 -0.07 0.00 -0.37 0.00 0.00 57.07 56.73 3d1q s TYR 140 Cb 0.00 -0.53 0.01 0.00 -0.40 0.00 0.00 41.96 41.03 3d1q s TYR 140 CO 0.00 -0.21 0.07 -0.51 -1.57 0.00 0.00 175.55 173.33 3d1q s LEU 141 N 1.85 3.77 -1.61 -1.29 1.02 -0.35 -1.21 118.68 120.87 3d1q s LEU 141 Ca 0.02 -0.68 -0.16 0.00 0.02 0.00 0.00 54.13 53.33 3d1q s LEU 141 Cb -0.12 -1.87 0.12 0.00 0.02 0.00 0.00 46.19 44.33 3d1q s LEU 141 CO -0.03 -0.17 0.90 0.47 0.02 0.00 0.00 176.35 177.53 3d1q n ASP 142 N 4.86 -4.16 0.00 2.29 8.00 -0.01 -0.36 116.55 127.17 3d1q n ASP 142 Ca -0.15 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.47 3d1q n ASP 142 Cb 0.48 -3.41 0.00 0.00 -0.02 0.00 0.00 41.12 38.17 3d1q n ASP 142 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d1q n GLY 143 N -1.57 2.00 3.63 0.44 0.00 -1.26 -4.99 105.19 103.44 3d1q n GLY 143 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 3d1q n GLY 143 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d1q s ILE 144 N -3.26 5.05 -0.13 -0.61 1.01 0.51 -4.35 121.20 119.42 3d1q s ILE 144 Ca 0.00 0.99 -0.29 0.00 0.00 0.00 0.00 60.65 61.35 3d1q s ILE 144 Cb 0.00 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 3d1q s ILE 144 CO 0.00 0.09 1.58 -2.16 0.00 0.00 0.00 174.94 174.45 3d1q s PRO 145 N 2.17 4.05 0.18 2.79 0.04 -1.26 -1.21 135.00 141.77 3d1q s PRO 145 Ca 0.24 1.91 0.02 0.00 0.04 0.00 0.00 61.00 63.22 3d1q s PRO 145 Cb -0.16 -3.97 -0.05 0.00 0.04 0.00 0.00 34.50 30.37 3d1q s PRO 145 CO 0.09 -0.99 -0.01 0.14 0.04 0.00 0.00 177.00 176.27 3d1q s VAL 146 N 4.38 0.82 -0.01 -0.36 -7.23 -0.16 -0.92 120.40 116.91 3d1q s VAL 146 Ca 0.70 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.81 3d1q s VAL 146 Cb -0.28 -2.14 0.00 0.00 0.56 0.00 0.00 36.38 34.52 3d1q s VAL 146 CO 0.27 -0.47 0.12 -0.94 -0.31 0.00 0.00 175.10 173.76 3d1q s SER 147 N -3.20 -0.00 -0.74 4.85 1.04 -0.41 -1.23 113.70 114.01 3d1q s SER 147 Ca 0.24 -0.08 -0.26 0.00 0.48 0.00 0.00 55.95 56.33 3d1q s SER 147 Cb 0.06 0.22 0.04 0.00 0.10 0.00 0.00 66.02 66.43 3d1q s SER 147 CO 0.05 -0.26 1.23 0.86 0.98 0.00 0.00 173.24 176.10 3d1q s TRP 148 N -0.91 2.37 -0.16 5.02 -0.00 0.00 0.17 118.94 125.43 3d1q s TRP 148 Ca -0.10 -0.19 -0.18 0.00 -0.00 0.00 0.00 56.10 55.63 3d1q s TRP 148 Cb -0.06 -4.57 -0.04 0.00 -0.00 0.00 0.00 33.47 28.81 3d1q s TRP 148 CO 0.01 -1.99 0.49 -0.47 -0.00 0.00 0.00 176.95 174.99 3d1q s TYR 149 N 5.38 3.44 0.34 5.86 5.04 -0.05 -4.59 117.35 132.76 3d1q s TYR 149 Ca 0.33 0.82 0.09 0.00 -2.44 0.00 0.00 57.07 55.88 3d1q s TYR 149 Cb -0.09 -2.60 -0.06 0.00 0.35 0.00 0.00 41.96 39.56 3d1q s TYR 149 CO 0.13 0.04 -0.01 0.20 -1.34 0.00 0.00 175.55 174.56 3d1q s GLY 150 N 0.89 2.10 0.19 8.97 0.00 -1.26 -0.29 107.32 117.92 3d1q s GLY 150 Ca 0.25 -2.00 -0.32 0.00 0.00 0.00 0.00 44.72 42.65 3d1q s GLY 150 CO 0.10 -1.94 1.14 -2.21 0.00 0.00 0.00 173.10 170.19 3d1q n GLU 151 N -0.91 1.19 -0.98 2.90 2.13 -1.25 0.35 120.64 124.08 3d1q n GLU 151 Ca -0.04 0.42 0.00 0.00 0.66 0.00 0.00 57.16 58.20 3d1q n GLU 151 Cb 0.63 -1.90 0.00 0.00 0.27 0.00 0.00 31.44 30.44 3d1q n GLU 151 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3d1q n ARG 152 N 1.61 -1.29 -2.71 5.31 1.74 -1.26 -2.35 116.66 117.71 3d1q n ARG 152 Ca 0.14 0.32 -0.18 0.00 -0.77 0.00 0.00 57.85 57.36 3d1q n ARG 152 Cb 0.26 -4.35 0.02 0.00 -1.02 0.00 0.00 32.46 27.37 3d1q n ARG 152 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3d1q n ASP 153 N -0.65 -5.26 -1.97 0.55 4.64 0.16 -4.85 116.55 109.18 3d1q n ASP 153 Ca 0.00 -0.17 -0.24 0.00 -1.38 0.00 0.00 54.79 53.01 3d1q n ASP 153 Cb 0.32 -4.18 0.10 0.00 -1.04 0.00 0.00 41.12 36.33 3d1q n ASP 153 CO 0.00 0.00 0.00 0.79 -0.82 0.00 0.00 177.20 177.17 3d1q n TRP 154 N -4.21 2.59 0.29 -0.67 7.02 -0.99 -4.52 117.44 116.95 3d1q n TRP 154 Ca -0.13 -2.34 0.16 0.00 -1.02 0.00 0.00 57.50 54.17 3d1q n TRP 154 Cb 0.62 -0.87 0.85 0.00 -2.42 0.00 0.00 31.31 29.48 3d1q n TRP 154 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3d1q h ALA 155 N 1.69 1.16 -0.19 6.99 0.00 -1.79 -2.13 119.26 124.99 3d1q h ALA 155 Ca 0.46 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3d1q h ALA 155 Cb 1.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3d1q h ALA 155 CO 1.03 0.08 0.00 0.09 0.00 0.00 0.00 179.25 180.45 3d1q n ASN 156 N -3.40 3.13 -4.62 0.00 3.02 -1.26 -4.49 115.26 107.64 3d1q n ASN 156 Ca -0.02 -2.71 -0.47 0.00 -0.03 0.00 0.00 54.58 51.35 3d1q n ASN 156 Cb 0.21 -0.39 -0.04 0.00 -0.61 0.00 0.00 39.78 38.95 3d1q n ASN 156 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3d1q n LEU 157 N -0.51 2.27 0.00 3.41 7.94 -0.80 -1.59 117.00 127.72 3d1q n LEU 157 Ca 0.16 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.20 3d1q n LEU 157 Cb 0.67 -1.31 0.00 0.00 0.53 0.00 0.00 43.42 43.30 3d1q n LEU 157 CO 0.09 -0.90 0.00 0.61 -1.11 0.00 0.00 177.39 176.08 3d1q n GLY 158 N 2.15 2.16 3.79 -3.96 0.00 -1.26 -4.71 105.19 103.36 3d1q n GLY 158 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 3d1q n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d1q s LYS 159 N -0.23 4.48 1.04 1.61 1.02 -0.62 -5.05 119.74 121.99 3d1q s LYS 159 Ca 0.00 1.11 -0.12 0.00 0.02 0.00 0.00 55.97 56.98 3d1q s LYS 159 Cb 0.00 -3.06 0.22 0.00 -0.52 0.00 0.00 37.83 34.46 3d1q s LYS 159 CO 0.00 0.47 1.08 -1.54 -0.92 0.00 0.00 175.35 174.43 3d1q s SER 160 N -1.39 1.96 0.32 2.83 1.04 -1.26 -4.71 113.70 112.49 3d1q s SER 160 Ca 0.41 1.75 0.01 0.00 0.48 0.00 0.00 55.95 58.60 3d1q s SER 160 Cb -0.20 -2.38 0.53 0.00 0.10 0.00 0.00 66.02 64.06 3d1q s SER 160 CO 0.24 -3.63 1.91 -0.61 0.98 0.00 0.00 173.24 172.14 3d1q h GLN 161 N -2.23 0.79 -0.35 4.02 4.15 -1.97 -0.38 115.11 119.14 3d1q h GLN 161 Ca -0.54 -0.11 0.05 0.00 0.77 0.00 0.00 58.65 58.83 3d1q h GLN 161 Cb 1.30 -0.15 -0.05 0.00 0.21 0.00 0.00 27.48 28.80 3d1q h GLN 161 CO 0.48 0.64 0.06 1.25 -1.93 0.00 0.00 178.83 179.32 3d1q h HIS 162 N 0.79 0.09 -0.35 3.99 2.76 -1.99 -0.51 115.15 119.92 3d1q h HIS 162 Ca 0.19 0.02 -0.15 0.00 -2.20 0.00 0.00 60.37 58.24 3d1q h HIS 162 Cb 0.13 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.09 3d1q h HIS 162 CO 0.01 0.00 -0.37 0.93 -1.30 0.00 0.00 177.93 177.20 3d1q h GLU 163 N 0.17 0.82 -0.55 5.26 5.08 -1.78 -2.24 114.58 121.34 3d1q h GLU 163 Ca 0.17 -0.42 -0.07 0.00 -1.00 0.00 0.00 59.36 58.04 3d1q h GLU 163 Cb 0.20 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3d1q h GLU 163 CO -0.23 1.05 0.08 0.00 -1.00 0.00 0.00 179.01 178.91 3d1q h ALA 164 N 0.90 0.74 -0.10 3.43 0.00 -0.71 -1.61 119.26 121.90 3d1q h ALA 164 Ca 0.06 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 3d1q h ALA 164 Cb 0.93 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3d1q h ALA 164 CO 0.09 0.50 -0.45 -0.07 0.00 0.00 0.00 179.25 179.31 3d1q h LEU 165 N 0.82 0.26 -0.28 0.00 -0.00 -1.07 -1.98 115.31 113.05 3d1q h LEU 165 Ca 0.17 -0.11 -0.09 0.00 -0.00 0.00 0.00 57.88 57.84 3d1q h LEU 165 Cb 0.43 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 41.01 3d1q h LEU 165 CO 0.01 0.67 -0.19 0.00 -0.00 0.00 0.00 178.44 178.93 3d1q h ALA 166 N 1.34 0.40 -0.76 1.53 0.00 -1.18 -1.06 119.26 119.53 3d1q h ALA 166 Ca 0.01 -0.35 0.09 0.00 0.00 0.00 0.00 54.91 54.66 3d1q h ALA 166 Cb 0.87 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.50 3d1q h ALA 166 CO 0.07 0.34 0.41 0.22 0.00 0.00 0.00 179.25 180.28 3d1q h ASP 167 N 0.37 0.55 -0.17 0.00 1.82 -1.08 -0.95 116.42 116.96 3d1q h ASP 167 Ca 0.06 0.06 -0.02 0.00 -0.39 0.00 0.00 57.03 56.73 3d1q h ASP 167 Cb 0.73 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.69 3d1q h ASP 167 CO 0.05 0.31 0.03 -0.08 -1.61 0.00 0.00 179.24 177.94 3d1q h GLU 168 N 0.68 0.28 -0.31 0.28 4.81 -1.18 -0.94 114.58 118.20 3d1q h GLU 168 Ca 0.37 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 3d1q h GLU 168 Cb 0.37 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 3d1q h GLU 168 CO -0.26 0.45 0.20 0.00 -0.73 0.00 0.00 179.01 178.67 3d1q h ARG 169 N 0.06 0.41 -0.34 1.92 3.08 -0.84 -0.75 114.38 117.93 3d1q h ARG 169 Ca 0.05 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 3d1q h ARG 169 Cb 0.30 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 3d1q h ARG 169 CO 0.00 0.29 0.15 0.45 -1.07 0.00 0.00 179.97 179.80 3d1q h HIS 170 N 0.41 0.50 -0.57 3.04 3.86 -1.13 -1.59 115.15 119.67 3d1q h HIS 170 Ca 0.11 -0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.23 3d1q h HIS 170 Cb -0.03 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.27 3d1q h HIS 170 CO -0.05 0.45 0.11 0.00 0.86 0.00 0.00 177.93 179.30 3d1q h ARG 171 N 0.41 0.93 -0.29 2.45 3.08 -1.01 -0.23 114.38 119.72 3d1q h ARG 171 Ca 0.12 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 3d1q h ARG 171 Cb 0.14 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3d1q h ARG 171 CO -0.01 0.88 0.05 -0.07 -1.07 0.00 0.00 179.97 179.76 3d1q h LEU 172 N 0.83 0.46 -1.19 3.04 3.38 -1.06 -2.59 115.31 118.19 3d1q h LEU 172 Ca 0.18 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 3d1q h LEU 172 Cb 0.39 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3d1q h LEU 172 CO 0.01 0.60 -0.06 -0.74 0.09 0.00 0.00 178.44 178.33 3d1q h HIS 173 N 0.31 0.51 0.00 1.13 2.76 -1.13 -2.07 115.15 116.66 3d1q h HIS 173 Ca 0.09 -0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 3d1q h HIS 173 Cb 0.33 -0.14 -0.00 0.00 1.55 0.00 0.00 27.41 29.14 3d1q h HIS 173 CO 0.02 0.55 -0.05 0.00 -1.30 0.00 0.00 177.93 177.14 3d1q h ALA 174 N 1.48 1.04 0.00 5.26 0.00 -0.79 -2.93 119.26 123.32 3d1q h ALA 174 Ca 0.09 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 3d1q h ALA 174 Cb 0.40 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3d1q h ALA 174 CO 0.02 0.07 -0.58 0.00 0.00 0.00 0.00 179.25 178.76 3d1q h ALA 175 N 1.95 0.87 -2.17 0.00 0.00 -0.98 -3.42 119.26 115.50 3d1q h ALA 175 Ca -0.00 -0.53 -0.60 0.00 0.00 0.00 0.00 54.91 53.79 3d1q h ALA 175 Cb 0.46 -0.09 0.04 0.00 0.00 0.00 0.00 17.79 18.20 3d1q h ALA 175 CO 0.01 0.72 0.90 -0.11 0.00 0.00 0.00 179.25 180.77 3d1q n LEU 176 N -3.60 3.19 -0.31 0.00 7.94 -1.11 -0.86 117.00 122.26 3d1q n LEU 176 Ca -0.00 1.04 -0.04 0.00 -1.11 0.00 0.00 56.01 55.90 3d1q n LEU 176 Cb 0.64 -1.40 -0.02 0.00 0.53 0.00 0.00 43.42 43.17 3d1q n LEU 176 CO 0.41 -0.22 -0.04 1.41 -1.11 0.00 0.00 177.39 177.84 3d1q n HIS 177 N 4.59 0.00 -4.23 1.96 8.25 0.10 -4.98 115.22 120.91 3d1q n HIS 177 Ca 0.19 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.41 3d1q n HIS 177 Cb 0.29 -1.71 -0.07 0.00 1.12 0.00 0.00 29.99 29.62 3d1q n HIS 177 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3d1q s LYS 178 N -1.89 2.42 0.08 -0.41 -0.14 -0.04 -4.81 119.74 114.96 3d1q s LYS 178 Ca 0.00 -1.22 -0.28 0.00 -1.36 0.00 0.00 55.97 53.11 3d1q s LYS 178 Cb 0.00 -2.31 -0.06 0.00 -1.68 0.00 0.00 37.83 33.79 3d1q s LYS 178 CO 0.00 0.41 0.88 0.99 -0.76 0.00 0.00 175.35 176.87 3d1q s THR 179 N -2.01 4.61 0.11 2.17 2.01 -1.26 -1.62 115.64 119.65 3d1q s THR 179 Ca 0.30 1.89 0.04 0.00 0.31 0.00 0.00 61.69 64.22 3d1q s THR 179 Cb -0.08 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.15 3d1q s THR 179 CO 0.20 0.33 -0.10 0.68 -0.69 0.00 0.00 174.62 175.04 3d1q s VAL 180 N 0.02 0.98 -0.27 3.82 -7.23 0.18 -4.98 120.40 112.92 3d1q s VAL 180 Ca 0.44 -1.77 -0.04 0.00 -1.81 0.00 0.00 61.98 58.80 3d1q s VAL 180 Cb -0.22 -1.51 0.02 0.00 0.56 0.00 0.00 36.38 35.23 3d1q s VAL 180 CO 0.27 -0.63 0.01 -0.47 -0.31 0.00 0.00 175.10 173.96 3d1q s TYR 181 N -2.76 3.12 -0.17 2.82 5.04 -1.26 -1.79 117.35 122.34 3d1q s TYR 181 Ca 0.09 -1.35 -0.03 0.00 -2.44 0.00 0.00 57.07 53.34 3d1q s TYR 181 Cb -0.01 -2.15 -0.02 0.00 0.35 0.00 0.00 41.96 40.14 3d1q s TYR 181 CO -0.00 -0.67 -0.05 0.42 -1.34 0.00 0.00 175.55 173.90 3d1q s ILE 182 N 1.39 3.58 -0.00 3.14 1.01 -0.74 -3.68 121.20 125.90 3d1q s ILE 182 Ca 0.01 -0.45 -0.13 0.00 0.00 0.00 0.00 60.65 60.08 3d1q s ILE 182 Cb -0.17 -2.58 0.02 0.00 0.01 0.00 0.00 42.46 39.73 3d1q s ILE 182 CO -0.01 0.47 0.27 0.00 0.00 0.00 0.00 174.94 175.67 3d1q s ALA 183 N 0.74 -0.66 0.46 9.38 0.00 -0.63 -1.44 121.76 129.62 3d1q s ALA 183 Ca -0.02 0.16 -0.12 0.00 0.00 0.00 0.00 51.96 51.98 3d1q s ALA 183 Cb -0.15 0.12 -0.06 0.00 0.00 0.00 0.00 23.12 23.03 3d1q s ALA 183 CO 0.02 -0.27 0.85 -1.25 0.00 0.00 0.00 175.76 175.11 3d1q s PRO 184 N -1.52 3.79 0.12 0.00 0.04 -1.26 -1.25 135.00 134.92 3d1q s PRO 184 Ca -0.13 0.60 -0.21 0.00 0.04 0.00 0.00 61.00 61.30 3d1q s PRO 184 Cb -0.05 -2.29 -0.07 0.00 0.04 0.00 0.00 34.50 32.12 3d1q s PRO 184 CO 0.03 -0.16 0.66 -0.51 0.04 0.00 0.00 177.00 177.05 3d1q s LEU 185 N -4.10 4.54 0.00 -3.56 1.43 -1.26 -1.97 118.68 113.76 3d1q s LEU 185 Ca 0.53 1.41 0.00 0.00 -1.03 0.00 0.00 54.13 55.05 3d1q s LEU 185 Cb -0.10 -3.10 0.00 0.00 0.03 0.00 0.00 46.19 43.02 3d1q s LEU 185 CO 0.34 0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.77 3d1q n GLY 186 N 1.59 2.65 3.68 -3.19 0.00 -0.39 -4.88 105.19 104.65 3d1q n GLY 186 Ca -0.08 -0.24 -0.49 0.00 0.00 0.00 0.00 46.02 45.22 3d1q n GLY 186 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3d1q n LYS 187 N 0.00 2.08 -3.80 1.61 2.85 -1.26 -2.35 118.16 117.29 3d1q n LYS 187 Ca 0.00 0.76 -0.29 0.00 -1.05 0.00 0.00 58.31 57.73 3d1q n LYS 187 Cb 0.00 -2.58 0.01 0.00 -0.65 0.00 0.00 35.03 31.81 3d1q n LYS 187 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 3d1q n HIS 188 N 5.91 -2.07 -2.59 5.58 8.25 -1.26 -2.03 115.22 127.02 3d1q n HIS 188 Ca 0.22 0.77 -0.20 0.00 -0.26 0.00 0.00 57.72 58.24 3d1q n HIS 188 Cb 0.28 -3.57 0.01 0.00 1.12 0.00 0.00 29.99 27.82 3d1q n HIS 188 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3d1q n LYS 189 N -4.38 -2.66 -4.35 -0.41 4.76 -0.99 -5.00 118.16 105.13 3d1q n LYS 189 Ca 0.03 0.92 -0.29 0.00 -2.87 0.00 0.00 58.31 56.10 3d1q n LYS 189 Cb 0.53 -5.56 -0.12 0.00 -1.84 0.00 0.00 35.03 28.03 3d1q n LYS 189 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3d1q s LEU 190 N -5.87 2.50 0.39 -0.35 1.43 -0.86 -4.87 118.68 111.05 3d1q s LEU 190 Ca 0.10 -0.67 -0.25 0.00 -1.03 0.00 0.00 54.13 52.29 3d1q s LEU 190 Cb -0.05 -1.37 -0.12 0.00 0.03 0.00 0.00 46.19 44.69 3d1q s LEU 190 CO 0.13 0.17 0.92 -2.65 0.23 0.00 0.00 176.35 175.15 3d1q n PRO 191 N 0.81 1.19 -3.53 1.29 -0.02 -1.26 -1.26 135.00 132.22 3d1q n PRO 191 Ca -0.17 0.43 -0.18 0.00 -2.02 0.00 0.00 63.50 61.56 3d1q n PRO 191 Cb 0.53 -1.90 -0.13 0.00 -0.02 0.00 0.00 33.50 31.98 3d1q n PRO 191 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3d1q s GLU 192 N -1.84 0.16 4.59 -0.52 2.12 -0.83 -4.74 118.70 117.65 3d1q s GLU 192 Ca 0.62 0.28 0.00 0.00 0.36 0.00 0.00 54.97 56.23 3d1q s GLU 192 Cb -0.60 -1.02 0.00 0.00 0.26 0.00 0.00 34.13 32.77 3d1q s GLU 192 CO 0.58 -0.58 0.00 0.41 -0.54 0.00 0.00 175.26 175.12 3d1q n GLY 193 N 5.32 1.22 0.00 -1.50 0.00 -1.26 -4.23 105.19 104.73 3d1q n GLY 193 Ca -0.05 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.22 3d1q n GLY 193 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d1q n GLY 194 N 0.00 -0.30 3.40 -0.02 0.00 -1.26 -4.72 105.19 102.28 3d1q n GLY 194 Ca 0.00 -1.95 -0.12 0.00 0.00 0.00 0.00 46.02 43.95 3d1q n GLY 194 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3d1q s GLU 195 N 0.00 1.20 -0.10 1.61 -1.05 -0.52 -5.01 118.70 114.83 3d1q s GLU 195 Ca 0.00 -0.44 0.03 0.00 -0.15 0.00 0.00 54.97 54.41 3d1q s GLU 195 Cb 0.00 0.55 -0.01 0.00 -0.44 0.00 0.00 34.13 34.23 3d1q s GLU 195 CO 0.00 -0.50 -0.20 0.08 0.95 0.00 0.00 175.26 175.59 3d1q s VAL 196 N -3.45 2.43 0.04 1.83 1.01 -1.26 -1.79 120.40 119.21 3d1q s VAL 196 Ca -0.00 -0.90 -0.16 0.00 0.00 0.00 0.00 61.98 60.92 3d1q s VAL 196 Cb -0.00 -1.95 0.03 0.00 0.00 0.00 0.00 36.38 34.45 3d1q s VAL 196 CO -0.10 0.55 0.36 0.00 0.00 0.00 0.00 175.10 175.91 3d1q s ARG 197 N 0.15 0.87 -0.46 2.72 1.70 -0.74 -4.98 118.95 118.22 3d1q s ARG 197 Ca -0.11 -0.43 -0.19 0.00 -0.47 0.00 0.00 55.73 54.53 3d1q s ARG 197 Cb -0.16 0.38 0.04 0.00 -0.57 0.00 0.00 34.95 34.64 3d1q s ARG 197 CO 0.06 -0.29 0.56 0.50 -1.08 0.00 0.00 175.30 175.06 3d1q s ARG 198 N -2.50 3.16 0.14 3.89 3.52 -1.26 -0.65 118.95 125.25 3d1q s ARG 198 Ca -0.05 -0.69 -0.31 0.00 -0.13 0.00 0.00 55.73 54.55 3d1q s ARG 198 Cb -0.01 -4.01 -0.10 0.00 -1.56 0.00 0.00 34.95 29.28 3d1q s ARG 198 CO -0.03 -1.03 1.63 0.08 -0.81 0.00 0.00 175.30 175.15 3d1q s VAL 199 N 2.51 2.67 -0.25 7.11 1.01 -0.64 -4.90 120.40 127.90 3d1q s VAL 199 Ca 0.16 0.38 0.11 0.00 0.00 0.00 0.00 61.98 62.63 3d1q s VAL 199 Cb -0.17 -3.24 -0.14 0.00 0.00 0.00 0.00 36.38 32.83 3d1q s VAL 199 CO 0.15 0.02 0.34 0.00 0.00 0.00 0.00 175.10 175.61 3d1q n GLN 200 N 4.58 1.90 -3.80 2.72 1.13 -1.26 0.00 117.38 122.65 3d1q n GLN 200 Ca 0.15 -0.05 -0.13 0.00 -1.94 0.00 0.00 57.00 55.03 3d1q n GLN 200 Cb 0.39 -1.13 -0.13 0.00 0.11 0.00 0.00 30.24 29.47 3d1q n GLN 200 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 3d1q s LYS 201 N -2.38 0.14 -0.07 -1.09 2.20 -1.26 -4.88 119.74 112.40 3d1q s LYS 201 Ca -0.00 0.26 0.03 0.00 -0.36 0.00 0.00 55.97 55.90 3d1q s LYS 201 Cb 0.07 -0.01 0.01 0.00 -1.51 0.00 0.00 37.83 36.40 3d1q s LYS 201 CO 0.44 -0.07 -0.16 0.08 -0.36 0.00 0.00 175.35 175.29 3d1q s VAL 202 N 0.44 1.41 0.03 4.02 1.01 -1.26 -0.83 120.40 125.23 3d1q s VAL 202 Ca -0.03 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.32 3d1q s VAL 202 Cb -0.04 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 3d1q s VAL 202 CO -0.02 0.41 -0.09 -1.10 0.00 0.00 0.00 175.10 174.31 3d1q s GLN 203 N 0.43 0.60 0.54 2.72 -0.21 -0.35 -5.01 119.66 118.38 3d1q s GLN 203 Ca -0.13 -0.65 -0.04 0.00 0.02 0.00 0.00 55.36 54.56 3d1q s GLN 203 Cb -0.15 -0.48 -0.00 0.00 1.00 0.00 0.00 33.01 33.38 3d1q s GLN 203 CO 0.04 0.11 0.83 0.95 -2.12 0.00 0.00 175.29 175.10 3d1q s THR 204 N -1.00 3.93 0.38 -0.19 -4.23 -1.26 -0.90 115.64 112.37 3d1q s THR 204 Ca -0.05 -0.09 0.08 0.00 -1.18 0.00 0.00 61.69 60.46 3d1q s THR 204 Cb -0.08 -3.52 0.17 0.00 1.34 0.00 0.00 72.50 70.41 3d1q s THR 204 CO 0.01 -0.49 1.93 -0.08 -0.54 0.00 0.00 174.62 175.44 3d1q h GLU 205 N 0.03 0.33 -0.67 3.99 4.81 -1.91 -2.44 114.58 118.71 3d1q h GLU 205 Ca -0.46 -0.07 0.07 0.00 -0.13 0.00 0.00 59.36 58.78 3d1q h GLU 205 Cb 1.25 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.52 3d1q h GLU 205 CO 0.60 0.40 0.36 0.37 -0.73 0.00 0.00 179.01 180.01 3d1q h GLN 206 N 0.32 0.63 -0.43 1.92 4.15 -1.97 0.24 115.11 119.98 3d1q h GLN 206 Ca 0.07 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.40 3d1q h GLN 206 Cb 0.30 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 3d1q h GLN 206 CO 0.01 0.42 0.05 0.93 -1.93 0.00 0.00 178.83 178.31 3d1q h GLU 207 N 0.65 0.72 -0.51 1.69 5.08 -1.86 -1.12 114.58 119.23 3d1q h GLU 207 Ca 0.31 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.40 3d1q h GLU 207 Cb 0.24 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3d1q h GLU 207 CO -0.21 0.77 0.06 0.28 -1.00 0.00 0.00 179.01 178.91 3d1q h VAL 208 N 0.57 1.24 -0.14 3.13 2.07 -0.93 -1.01 116.25 121.18 3d1q h VAL 208 Ca 0.13 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 3d1q h VAL 208 Cb 0.41 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3d1q h VAL 208 CO 0.01 0.34 0.04 0.00 0.02 0.00 0.00 177.57 177.98 3d1q h ALA 209 N 1.28 0.18 -0.95 1.67 0.00 -0.34 -2.08 119.26 119.01 3d1q h ALA 209 Ca 0.16 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3d1q h ALA 209 Cb 0.39 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 3d1q h ALA 209 CO 0.01 -0.19 0.63 0.93 0.00 0.00 0.00 179.25 180.63 3d1q h GLU 210 N 0.03 1.26 0.00 0.00 5.08 -1.04 -0.24 114.58 119.66 3d1q h GLU 210 Ca 0.04 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3d1q h GLU 210 Cb 0.24 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 3d1q h GLU 210 CO -0.00 0.84 -0.07 0.00 -1.00 0.00 0.00 179.01 178.77 3d1q h ALA 211 N 1.35 1.29 -0.17 3.43 0.00 -0.98 0.13 119.26 124.30 3d1q h ALA 211 Ca 0.35 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3d1q h ALA 211 Cb -0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3d1q h ALA 211 CO -0.07 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.27 3d1q n ALA 212 N -2.26 2.51 -1.55 0.00 0.00 -0.37 -4.93 120.51 113.92 3d1q n ALA 212 Ca -0.02 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.82 3d1q n ALA 212 Cb 0.19 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.59 3d1q n ALA 212 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d1q n GLY 213 N 1.22 0.51 3.37 0.00 0.00 0.44 -4.84 105.19 105.89 3d1q n GLY 213 Ca 0.17 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 3d1q n GLY 213 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3d1q s MET 214 N -3.18 1.72 0.67 1.61 -1.94 -0.25 -4.72 119.30 113.22 3d1q s MET 214 Ca 0.00 -1.17 -0.11 0.00 -1.71 0.00 0.00 55.69 52.71 3d1q s MET 214 Cb 0.00 -1.98 -0.01 0.00 2.01 0.00 0.00 34.83 34.85 3d1q s MET 214 CO 0.00 0.50 1.05 1.03 -0.01 0.00 0.00 175.02 177.59 3d1q s ARG 215 N -1.51 3.13 -0.02 2.03 0.52 -0.04 -3.27 118.95 119.79 3d1q s ARG 215 Ca 0.13 0.89 0.07 0.00 -0.52 0.00 0.00 55.73 56.29 3d1q s ARG 215 Cb -0.10 -2.02 -0.02 0.00 0.52 0.00 0.00 34.95 33.34 3d1q s ARG 215 CO 0.04 -0.95 -0.21 -0.47 0.02 0.00 0.00 175.30 173.73 3d1q s TYR 216 N -3.09 1.90 -0.10 -0.53 5.04 -1.26 0.07 117.35 119.39 3d1q s TYR 216 Ca 0.57 -0.36 -0.04 0.00 -2.44 0.00 0.00 57.07 54.80 3d1q s TYR 216 Cb -0.13 -1.23 0.05 0.00 0.35 0.00 0.00 41.96 41.00 3d1q s TYR 216 CO 0.55 -0.03 0.20 0.12 -1.34 0.00 0.00 175.55 175.04 3d1q s PHE 217 N -0.49 -0.26 -0.15 4.97 5.36 -0.76 -4.94 117.98 121.71 3d1q s PHE 217 Ca 0.08 0.71 -0.05 0.00 -0.96 0.00 0.00 56.93 56.71 3d1q s PHE 217 Cb -0.08 -0.13 -0.04 0.00 -0.34 0.00 0.00 43.02 42.43 3d1q s PHE 217 CO -0.01 -0.27 0.04 0.50 -1.46 0.00 0.00 175.22 174.02 3d1q s ARG 218 N 2.02 3.62 -0.28 10.12 6.06 -1.26 -1.41 118.95 137.82 3d1q s ARG 218 Ca -0.01 -0.36 0.01 0.00 -2.50 0.00 0.00 55.73 52.87 3d1q s ARG 218 Cb -0.12 -3.06 0.08 0.00 0.06 0.00 0.00 34.95 31.91 3d1q s ARG 218 CO -0.07 0.44 0.02 0.42 -2.50 0.00 0.00 175.30 173.61 3d1q s ILE 219 N -0.12 1.38 -1.05 4.11 1.01 0.14 -4.98 121.20 121.69 3d1q s ILE 219 Ca 0.06 -1.44 -0.21 0.00 0.00 0.00 0.00 60.65 59.06 3d1q s ILE 219 Cb -0.12 -1.86 -0.09 0.00 0.01 0.00 0.00 42.46 40.40 3d1q s ILE 219 CO 0.01 -0.39 1.94 0.00 0.00 0.00 0.00 174.94 176.51 3d1q n ALA 220 N 4.68 3.11 -2.53 9.38 0.00 -1.26 -3.36 120.51 130.52 3d1q n ALA 220 Ca -0.05 -3.35 -0.38 0.00 0.00 0.00 0.00 53.44 49.66 3d1q n ALA 220 Cb 0.43 -3.57 -0.06 0.00 0.00 0.00 0.00 19.45 16.25 3d1q n ALA 220 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d1q s ALA 221 N 6.70 3.62 0.13 0.00 0.00 -0.85 -4.41 121.76 126.95 3d1q s ALA 221 Ca 0.59 -0.18 -0.30 0.00 0.00 0.00 0.00 51.96 52.07 3d1q s ALA 221 Cb 0.08 -2.49 -0.07 0.00 0.00 0.00 0.00 23.12 20.64 3d1q s ALA 221 CO 0.10 0.33 1.17 0.99 0.00 0.00 0.00 175.76 178.34 3d1q s THR 222 N -0.59 3.88 0.34 0.00 2.01 -1.26 -1.25 115.64 118.77 3d1q s THR 222 Ca 0.25 1.48 -0.28 0.00 0.31 0.00 0.00 61.69 63.44 3d1q s THR 222 Cb -0.17 -3.95 -0.12 0.00 0.01 0.00 0.00 72.50 68.28 3d1q s THR 222 CO 0.13 0.19 1.36 -0.67 -0.69 0.00 0.00 174.62 174.94 3d1q n ASP 223 N 3.10 3.07 0.00 3.53 -0.08 -1.26 -3.31 116.55 121.59 3d1q n ASP 223 Ca 0.06 1.21 0.00 0.00 -1.51 0.00 0.00 54.79 54.55 3d1q n ASP 223 Cb 0.46 -1.52 0.00 0.00 2.34 0.00 0.00 41.12 42.40 3d1q n ASP 223 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 3d1q n HIS 224 N 0.53 0.00 -4.47 -0.67 8.25 -1.26 -4.97 115.22 112.64 3d1q n HIS 224 Ca 0.04 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.28 3d1q n HIS 224 Cb 0.36 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.37 3d1q n HIS 224 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3d1q s VAL 225 N -3.05 1.42 0.23 1.59 -7.23 -1.21 -4.78 120.40 107.38 3d1q s VAL 225 Ca 0.00 -2.03 -0.31 0.00 -1.81 0.00 0.00 61.98 57.84 3d1q s VAL 225 Cb 0.00 -2.74 -0.10 0.00 0.56 0.00 0.00 36.38 34.09 3d1q s VAL 225 CO 0.00 -0.07 1.54 0.86 -0.31 0.00 0.00 175.10 177.12 3d1q s TRP 226 N -3.14 2.96 0.47 2.82 -0.11 -1.26 -4.82 118.94 115.86 3d1q s TRP 226 Ca 0.35 0.79 -0.23 0.00 1.22 0.00 0.00 56.10 58.22 3d1q s TRP 226 Cb 0.08 -3.94 -0.09 0.00 -1.50 0.00 0.00 33.47 28.02 3d1q s TRP 226 CO 0.15 -3.26 1.03 -2.30 -4.62 0.00 0.00 176.95 167.96 3d1q n PRO 227 N 2.95 1.32 -1.62 5.86 -0.02 -1.26 -4.92 135.00 137.31 3d1q n PRO 227 Ca 0.10 0.48 -0.30 0.00 -2.02 0.00 0.00 63.50 61.76 3d1q n PRO 227 Cb 0.39 -2.13 0.09 0.00 -0.02 0.00 0.00 33.50 31.83 3d1q n PRO 227 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3d1q s THR 228 N -1.34 2.96 0.46 3.45 -4.23 -1.26 -4.82 115.64 110.86 3d1q s THR 228 Ca 0.66 0.31 0.13 0.00 -1.18 0.00 0.00 61.69 61.61 3d1q s THR 228 Cb -0.51 -3.11 0.29 0.00 1.34 0.00 0.00 72.50 70.51 3d1q s THR 228 CO 0.54 -0.41 2.07 -0.65 -0.54 0.00 0.00 174.62 175.64 3d1q h PRO 229 N -1.07 0.29 -0.28 3.99 0.11 -1.92 -1.41 132.00 131.71 3d1q h PRO 229 Ca -0.47 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 3d1q h PRO 229 Cb 1.28 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3d1q h PRO 229 CO 0.61 0.19 0.01 0.93 -0.21 0.00 0.00 178.00 179.52 3d1q h GLU 230 N 0.30 0.48 -0.22 1.05 3.07 -1.99 0.58 114.58 117.85 3d1q h GLU 230 Ca 0.13 -0.15 0.04 0.00 -0.50 0.00 0.00 59.36 58.88 3d1q h GLU 230 Cb 0.15 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 27.98 3d1q h GLU 230 CO -0.03 0.63 -0.00 -0.91 -1.40 0.00 0.00 179.01 177.31 3d1q h ASN 231 N 0.28 -0.09 -0.31 1.42 -0.26 -1.72 -2.00 115.58 112.89 3d1q h ASN 231 Ca 0.08 0.05 -0.15 0.00 -0.56 0.00 0.00 56.30 55.72 3d1q h ASN 231 Cb 0.41 0.09 -0.00 0.00 -1.06 0.00 0.00 38.32 37.76 3d1q h ASN 231 CO 0.01 -0.02 -0.39 0.40 -1.06 0.00 0.00 177.43 176.37 3d1q h ILE 232 N 0.07 1.29 -0.72 2.81 2.04 -1.19 -1.39 117.51 120.42 3d1q h ILE 232 Ca 0.10 -1.57 0.05 0.00 1.00 0.00 0.00 64.86 64.44 3d1q h ILE 232 Cb 0.13 1.57 -0.05 0.00 -0.74 0.00 0.00 36.82 37.73 3d1q h ILE 232 CO -0.18 0.51 0.42 0.44 0.00 0.00 0.00 178.15 179.35 3d1q h ASP 233 N 0.58 0.66 -0.62 1.72 3.32 -0.79 0.27 116.42 121.55 3d1q h ASP 233 Ca 0.04 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3d1q h ASP 233 Cb 0.98 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.39 3d1q h ASP 233 CO 0.09 0.43 0.33 -0.09 -1.72 0.00 0.00 179.24 178.28 3d1q h ARG 234 N 0.79 0.87 -0.32 3.56 2.43 -1.21 -1.53 114.38 118.98 3d1q h ARG 234 Ca 0.31 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 3d1q h ARG 234 Cb 0.14 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 3d1q h ARG 234 CO -0.16 0.67 0.16 0.35 -1.51 0.00 0.00 179.97 179.48 3d1q h PHE 235 N 0.85 0.45 -0.67 2.20 3.57 -0.54 -2.18 116.94 120.62 3d1q h PHE 235 Ca 0.22 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 3d1q h PHE 235 Cb 0.06 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 3d1q h PHE 235 CO -0.01 0.38 0.39 -0.07 -2.23 0.00 0.00 178.31 176.78 3d1q h LEU 236 N 0.38 0.82 -1.03 0.59 3.38 -0.71 0.26 115.31 119.01 3d1q h LEU 236 Ca 0.11 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 3d1q h LEU 236 Cb 0.10 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3d1q h LEU 236 CO -0.02 0.65 0.09 0.00 0.09 0.00 0.00 178.44 179.26 3d1q h ALA 237 N 1.20 1.21 -0.20 1.53 0.00 -1.16 -1.87 119.26 119.97 3d1q h ALA 237 Ca 0.24 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3d1q h ALA 237 Cb -0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3d1q h ALA 237 CO -0.04 0.54 -0.01 0.35 0.00 0.00 0.00 179.25 180.08 3d1q h PHE 238 N 0.76 0.40 -0.90 0.00 3.04 -0.75 -3.14 116.94 116.34 3d1q h PHE 238 Ca 0.16 -0.07 0.06 0.00 3.98 0.00 0.00 57.97 62.10 3d1q h PHE 238 Cb 0.33 -0.10 -0.06 0.00 2.56 0.00 0.00 35.95 38.67 3d1q h PHE 238 CO 0.02 0.57 0.56 -0.92 -2.02 0.00 0.00 178.31 176.52 3d1q h TYR 239 N 0.11 1.04 -0.64 0.41 3.20 -0.23 -2.79 116.97 118.07 3d1q h TYR 239 Ca 0.05 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.99 3d1q h TYR 239 Cb 0.42 -0.34 -0.04 0.00 1.54 0.00 0.00 36.73 38.32 3d1q h TYR 239 CO 0.04 0.53 0.43 0.00 -1.64 0.00 0.00 178.16 177.51 3d1q h ARG 240 N 1.02 0.73 -0.67 1.82 3.08 -1.29 -2.55 114.38 116.52 3d1q h ARG 240 Ca 0.39 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.40 3d1q h ARG 240 Cb 0.18 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3d1q h ARG 240 CO -0.18 0.49 0.00 0.25 -1.07 0.00 0.00 179.97 179.46 3d1q n THR 241 N -4.46 1.62 -2.43 2.04 -2.24 -1.06 -4.97 114.28 102.79 3d1q n THR 241 Ca 0.08 -1.16 -0.39 0.00 -2.27 0.00 0.00 64.05 60.32 3d1q n THR 241 Cb 0.14 0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 68.56 3d1q n THR 241 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3d1q s LEU 242 N -1.63 4.33 0.82 3.22 1.43 -0.96 -4.99 118.68 120.89 3d1q s LEU 242 Ca 0.50 2.24 -0.12 0.00 -1.03 0.00 0.00 54.13 55.73 3d1q s LEU 242 Cb 0.31 -3.90 0.09 0.00 0.03 0.00 0.00 46.19 42.72 3d1q s LEU 242 CO 0.27 -0.41 1.16 -2.84 0.23 0.00 0.00 176.35 174.76 3d1q s PRO 243 N -2.00 1.64 0.37 1.29 0.02 -1.26 -4.88 135.00 130.17 3d1q s PRO 243 Ca 0.52 1.59 0.04 0.00 0.02 0.00 0.00 61.00 63.16 3d1q s PRO 243 Cb -0.29 -1.79 0.70 0.00 0.02 0.00 0.00 34.50 33.13 3d1q s PRO 243 CO 0.37 -2.17 2.02 0.37 -0.33 0.00 0.00 177.00 177.26 3d1q h GLN 244 N -1.13 0.75 -0.68 5.54 4.15 -2.00 -1.81 115.11 119.95 3d1q h GLN 244 Ca -0.45 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.93 3d1q h GLN 244 Cb 1.27 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.79 3d1q h GLN 244 CO 0.46 0.50 0.00 -0.40 -1.93 0.00 0.00 178.83 177.46 3d1q n ASP 245 N -4.45 4.22 -4.76 -0.69 5.75 -1.26 -4.96 116.55 110.40 3d1q n ASP 245 Ca 0.06 -2.59 -0.41 0.00 -0.01 0.00 0.00 54.79 51.84 3d1q n ASP 245 Cb 0.05 -0.60 -0.03 0.00 -1.03 0.00 0.00 41.12 39.51 3d1q n ASP 245 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3d1q s ALA 246 N -2.15 3.48 -0.19 2.12 0.00 -0.68 -3.89 121.76 120.45 3d1q s ALA 246 Ca 0.39 1.15 -0.05 0.00 0.00 0.00 0.00 51.96 53.45 3d1q s ALA 246 Cb 0.29 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.93 3d1q s ALA 246 CO 0.13 -0.51 0.00 -0.46 0.00 0.00 0.00 175.76 174.92 3d1q s TRP 247 N -0.89 3.06 -0.28 0.00 -0.11 -0.13 -4.89 118.94 115.71 3d1q s TRP 247 Ca 0.50 -0.37 -0.09 0.00 1.22 0.00 0.00 56.10 57.36 3d1q s TRP 247 Cb -0.37 -2.07 -0.03 0.00 -1.50 0.00 0.00 33.47 29.50 3d1q s TRP 247 CO 0.47 -0.17 0.12 -0.51 -4.62 0.00 0.00 176.95 172.25 3d1q s LEU 248 N 0.86 3.78 -0.48 5.86 1.43 -0.89 -0.89 118.68 128.36 3d1q s LEU 248 Ca 0.01 -0.26 -0.13 0.00 -1.03 0.00 0.00 54.13 52.72 3d1q s LEU 248 Cb -0.14 -1.99 0.10 0.00 0.03 0.00 0.00 46.19 44.18 3d1q s LEU 248 CO 0.02 -0.09 0.38 -2.28 0.23 0.00 0.00 176.35 174.61 3d1q s HIS 249 N 1.65 3.31 0.31 0.29 5.65 -0.00 -0.97 115.29 125.53 3d1q s HIS 249 Ca 0.06 -1.38 -0.16 0.00 0.25 0.00 0.00 55.06 53.83 3d1q s HIS 249 Cb -0.16 -3.35 -0.09 0.00 -1.18 0.00 0.00 32.58 27.80 3d1q s HIS 249 CO 0.06 -0.91 0.74 -0.06 -0.65 0.00 0.00 174.74 173.92 3d1q s PHE 250 N 1.51 3.41 -0.03 3.88 0.08 0.10 -0.63 117.98 126.30 3d1q s PHE 250 Ca 0.04 1.26 -0.30 0.00 0.12 0.00 0.00 56.93 58.05 3d1q s PHE 250 Cb -0.26 -2.56 0.08 0.00 -0.57 0.00 0.00 43.02 39.71 3d1q s PHE 250 CO 0.03 0.12 0.71 -3.38 -0.10 0.00 0.00 175.22 172.60 3d1q s HIS 251 N -1.93 -0.61 0.00 0.36 -3.43 -0.90 -1.64 115.29 107.14 3d1q s HIS 251 Ca 0.53 0.95 0.00 0.00 -0.80 0.00 0.00 55.06 55.74 3d1q s HIS 251 Cb -0.11 0.44 0.00 0.00 -1.43 0.00 0.00 32.58 31.48 3d1q s HIS 251 CO 0.18 -0.61 0.00 0.00 -2.00 0.00 0.00 174.74 172.31 3d1q n GLU 253 N 0.00 0.52 0.10 0.00 4.07 -1.26 -2.76 120.64 121.31 3d1q n GLU 253 Ca 0.00 0.53 0.11 0.00 -0.06 0.00 0.00 57.16 57.74 3d1q n GLU 253 Cb 0.00 -1.70 -0.01 0.00 -0.06 0.00 0.00 31.44 29.67 3d1q n GLU 253 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3d1q n ALA 254 N -3.59 2.53 -0.98 4.31 0.00 -1.26 -0.80 120.51 120.72 3d1q n ALA 254 Ca -0.23 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 52.97 3d1q n ALA 254 Cb 0.53 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.88 3d1q n ALA 254 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d1q n GLY 255 N 1.18 0.49 0.54 0.00 0.00 -1.25 -4.01 105.19 102.15 3d1q n GLY 255 Ca -0.00 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.11 3d1q n GLY 255 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3d1q n VAL 256 N -2.96 0.00 0.00 1.61 0.31 -1.26 -4.59 118.33 111.44 3d1q n VAL 256 Ca 0.00 0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 3d1q n VAL 256 Cb 0.06 -1.09 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 3d1q n VAL 256 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3d1q n GLY 257 N 2.91 -2.40 0.26 2.92 0.00 -1.26 -1.28 105.19 106.33 3d1q n GLY 257 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 3d1q n GLY 257 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3d1q h ARG 258 N 0.00 0.86 -0.20 1.61 3.08 -1.93 -1.60 114.38 116.20 3d1q h ARG 258 Ca 0.00 -0.09 0.02 0.00 0.07 0.00 0.00 59.98 59.99 3d1q h ARG 258 Cb 0.00 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 3d1q h ARG 258 CO 0.00 0.63 0.04 1.15 -1.07 0.00 0.00 179.97 180.72 3d1q h THR 259 N 0.85 0.92 -0.36 2.04 2.02 -1.84 -2.38 112.91 114.15 3d1q h THR 259 Ca 0.22 -0.04 -0.11 0.00 0.77 0.00 0.00 66.41 67.25 3d1q h THR 259 Cb 0.01 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 3d1q h THR 259 CO -0.04 0.02 -0.22 0.74 0.37 0.00 0.00 175.52 176.39 3d1q h THR 260 N 0.12 1.27 -0.27 3.16 2.02 -1.07 -1.35 112.91 116.79 3d1q h THR 260 Ca 0.09 -1.31 0.05 0.00 0.77 0.00 0.00 66.41 66.01 3d1q h THR 260 Cb 0.08 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 67.68 3d1q h THR 260 CO -0.11 0.43 -0.02 0.00 0.37 0.00 0.00 175.52 176.19 3d1q h ALA 261 N 1.13 0.22 -0.09 6.16 0.00 -0.85 0.31 119.26 126.15 3d1q h ALA 261 Ca 0.09 0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 3d1q h ALA 261 Cb 0.71 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3d1q h ALA 261 CO 0.05 -0.43 -0.59 0.74 0.00 0.00 0.00 179.25 179.02 3d1q h PHE 262 N 0.06 0.37 -0.75 0.00 0.04 -1.32 -0.86 116.94 114.48 3d1q h PHE 262 Ca 0.13 -0.14 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 3d1q h PHE 262 Cb 0.17 -0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.22 3d1q h PHE 262 CO -0.22 0.81 0.36 0.52 -0.60 0.00 0.00 178.31 179.17 3d1q h MET 263 N 0.22 1.08 -0.17 1.51 2.86 -0.69 -0.41 114.93 119.33 3d1q h MET 263 Ca -0.00 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.47 3d1q h MET 263 Cb 1.10 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.56 3d1q h MET 263 CO 0.09 0.85 0.07 0.28 1.06 0.00 0.00 176.91 179.26 3d1q h VAL 264 N 1.05 1.15 -0.87 -2.22 2.07 -0.16 -0.33 116.25 116.93 3d1q h VAL 264 Ca 0.26 -0.44 0.04 0.00 0.82 0.00 0.00 66.70 67.38 3d1q h VAL 264 Cb 0.13 1.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 3d1q h VAL 264 CO -0.03 0.14 0.55 0.24 0.02 0.00 0.00 177.57 178.49 3d1q h MET 265 N 0.13 1.02 -0.48 1.57 2.07 -1.03 0.59 114.93 118.80 3d1q h MET 265 Ca 0.06 -0.06 -0.05 0.00 -2.07 0.00 0.00 59.70 57.58 3d1q h MET 265 Cb 0.15 -0.23 -0.02 0.00 -1.87 0.00 0.00 31.60 29.64 3d1q h MET 265 CO -0.01 0.67 0.10 1.15 1.07 0.00 0.00 176.91 179.90 3d1q h THR 266 N 1.05 1.24 -0.32 2.22 2.02 -0.74 -0.59 112.91 117.79 3d1q h THR 266 Ca 0.36 -0.86 0.01 0.00 0.77 0.00 0.00 66.41 66.69 3d1q h THR 266 Cb 0.07 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 3d1q h THR 266 CO -0.14 0.31 0.19 -0.78 0.37 0.00 0.00 175.52 175.47 3d1q h ASP 267 N 0.65 0.32 -0.44 4.18 1.82 -0.39 -1.02 116.42 121.54 3d1q h ASP 267 Ca 0.15 -0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.78 3d1q h ASP 267 Cb 0.35 -0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.26 3d1q h ASP 267 CO 0.00 0.23 0.25 0.24 -1.61 0.00 0.00 179.24 178.36 3d1q h MET 268 N 0.40 0.62 -0.20 0.28 2.86 -0.67 0.14 114.93 118.36 3d1q h MET 268 Ca 0.12 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3d1q h MET 268 Cb -0.02 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 3d1q h MET 268 CO -0.05 0.49 0.12 -0.07 1.06 0.00 0.00 176.91 178.46 3d1q h LEU 269 N 0.58 0.21 -0.13 1.22 3.38 -0.88 -2.63 115.31 117.07 3d1q h LEU 269 Ca 0.16 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.01 3d1q h LEU 269 Cb 0.04 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3d1q h LEU 269 CO -0.03 0.15 -0.53 0.50 0.09 0.00 0.00 178.44 178.63 3d1q h LYS 270 N 0.26 0.00 -2.17 1.13 3.64 -1.08 -3.36 116.57 114.99 3d1q h LYS 270 Ca 0.07 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 58.90 3d1q h LYS 270 Cb -0.02 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 31.39 3d1q h LYS 270 CO -0.02 0.53 -0.86 0.09 -2.27 0.00 0.00 179.45 176.92 3d1q n ASN 271 N -3.27 2.93 0.30 4.20 3.02 0.48 -4.94 115.26 117.97 3d1q n ASN 271 Ca 0.02 -3.38 0.18 0.00 -0.03 0.00 0.00 54.58 51.37 3d1q n ASN 271 Cb 0.72 -0.59 0.95 0.00 -0.61 0.00 0.00 39.78 40.24 3d1q n ASN 271 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3d1q h PRO 272 N 3.14 0.00 -0.00 3.52 0.13 -1.63 -0.63 132.00 136.51 3d1q h PRO 272 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3d1q h PRO 272 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 3d1q h PRO 272 CO 0.69 0.00 -0.14 -1.13 -0.23 0.00 0.00 178.00 177.19 3d1q n SER 273 N -3.19 0.36 -4.75 1.44 3.41 -1.26 -4.83 113.62 104.80 3d1q n SER 273 Ca -0.01 -0.29 -0.40 0.00 -0.26 0.00 0.00 58.87 57.91 3d1q n SER 273 Cb 0.28 -0.12 -0.05 0.00 -0.26 0.00 0.00 64.21 64.06 3d1q n SER 273 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3d1q s VAL 274 N -2.66 4.38 0.80 -3.33 1.01 -0.25 -5.02 120.40 115.34 3d1q s VAL 274 Ca 0.23 1.92 -0.11 0.00 0.00 0.00 0.00 61.98 64.02 3d1q s VAL 274 Cb 0.19 -4.25 0.08 0.00 0.00 0.00 0.00 36.38 32.41 3d1q s VAL 274 CO 0.52 0.43 1.12 -0.94 0.00 0.00 0.00 175.10 176.23 3d1q s SER 275 N -0.61 4.01 0.15 3.32 1.04 -1.26 -4.81 113.70 115.54 3d1q s SER 275 Ca 0.41 2.01 -0.16 0.00 0.48 0.00 0.00 55.95 58.69 3d1q s SER 275 Cb -0.24 -2.55 0.04 0.00 0.10 0.00 0.00 66.02 63.38 3d1q s SER 275 CO 0.28 -2.37 1.79 0.25 0.98 0.00 0.00 173.24 174.17 3d1q h LEU 276 N -1.19 0.32 -0.48 2.42 5.85 -1.97 -1.23 115.31 119.03 3d1q h LEU 276 Ca -0.44 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.33 3d1q h LEU 276 Cb 1.25 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.19 3d1q h LEU 276 CO 0.48 0.23 0.24 0.50 -0.34 0.00 0.00 178.44 179.55 3d1q h LYS 277 N 0.42 0.46 -0.37 1.25 3.64 -1.99 -0.52 116.57 119.46 3d1q h LYS 277 Ca 0.16 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3d1q h LYS 277 Cb 0.04 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 3d1q h LYS 277 CO -0.09 0.30 0.15 -0.44 -2.27 0.00 0.00 179.45 177.10 3d1q h ASP 278 N 0.47 0.50 -0.18 4.20 3.32 -1.80 -0.44 116.42 122.49 3d1q h ASP 278 Ca 0.21 -0.16 0.03 0.00 0.02 0.00 0.00 57.03 57.13 3d1q h ASP 278 Cb 0.13 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 3d1q h ASP 278 CO -0.15 0.53 0.01 0.40 -1.72 0.00 0.00 179.24 178.30 3d1q h ILE 279 N 0.45 0.89 -0.21 0.35 1.08 -0.86 -1.38 117.51 117.83 3d1q h ILE 279 Ca 0.12 -0.02 -0.02 0.00 -0.39 0.00 0.00 64.86 64.55 3d1q h ILE 279 Cb 0.18 0.81 -0.01 0.00 -3.07 0.00 0.00 36.82 34.73 3d1q h ILE 279 CO -0.01 0.01 0.06 -0.07 -0.69 0.00 0.00 178.15 177.45 3d1q h LEU 280 N 0.07 0.31 -0.18 1.44 3.38 -0.89 -1.18 115.31 118.26 3d1q h LEU 280 Ca 0.08 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3d1q h LEU 280 Cb 0.10 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3d1q h LEU 280 CO -0.13 0.45 0.08 1.88 0.09 0.00 0.00 178.44 180.81 3d1q h TYR 281 N 0.16 0.26 -0.33 1.13 0.05 -1.03 -2.16 116.97 115.06 3d1q h TYR 281 Ca 0.07 -0.01 -0.12 0.00 0.05 0.00 0.00 58.73 58.71 3d1q h TYR 281 Cb 0.26 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.90 3d1q h TYR 281 CO 0.01 0.29 -0.31 0.07 -1.05 0.00 0.00 178.16 177.17 3d1q h ARG 282 N 0.16 0.70 -0.11 4.88 0.11 -1.18 0.40 114.38 119.34 3d1q h ARG 282 Ca 0.06 -0.31 -0.08 0.00 0.10 0.00 0.00 59.98 59.75 3d1q h ARG 282 Cb 0.13 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.18 3d1q h ARG 282 CO -0.01 0.92 -0.30 1.96 0.10 0.00 0.00 179.97 182.63 3d1q h GLN 283 N 0.59 0.20 -0.10 0.08 1.08 -1.15 -1.78 115.11 114.04 3d1q h GLN 283 Ca 0.07 -0.07 -0.09 0.00 -1.45 0.00 0.00 58.65 57.10 3d1q h GLN 283 Cb 0.82 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.23 3d1q h GLN 283 CO 0.07 0.49 -0.30 1.25 -0.95 0.00 0.00 178.83 179.40 3d1q h HIS 284 N 0.18 0.48 0.00 2.96 -0.00 -1.02 -2.06 115.15 115.70 3d1q h HIS 284 Ca 0.03 -0.19 0.00 0.00 -0.00 0.00 0.00 60.37 60.20 3d1q h HIS 284 Cb 0.64 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 27.96 3d1q h HIS 284 CO 0.01 0.91 0.00 0.39 -0.00 0.00 0.00 177.93 179.24 3d1q n GLU 285 N -4.43 0.14 -0.07 5.26 1.02 0.14 -1.09 120.64 121.61 3d1q n GLU 285 Ca -0.08 0.29 0.10 0.00 -0.02 0.00 0.00 57.16 57.46 3d1q n GLU 285 Cb 0.48 -1.73 0.39 0.00 -0.02 0.00 0.00 31.44 30.55 3d1q n GLU 285 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3d1q n ILE 286 N -1.99 0.19 0.00 -3.67 -5.35 -0.69 -0.68 119.36 107.17 3d1q n ILE 286 Ca 0.04 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 3d1q n ILE 286 Cb 0.27 0.29 0.00 0.00 -1.74 0.00 0.00 39.64 38.45 3d1q n ILE 286 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3d1q n GLY 287 N 1.08 1.54 0.55 3.28 0.00 -0.25 -4.75 105.19 106.65 3d1q n GLY 287 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 3d1q n GLY 287 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d1q n GLY 288 N -0.17 2.48 3.79 -0.02 0.00 -0.77 -5.01 105.19 105.50 3d1q n GLY 288 Ca 0.00 -2.17 -0.32 0.00 0.00 0.00 0.00 46.02 43.53 3d1q n GLY 288 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3d1q s PHE 289 N 0.04 2.87 -0.31 1.61 2.19 -1.26 -4.42 117.98 118.70 3d1q s PHE 289 Ca 0.07 1.51 -0.12 0.00 0.33 0.00 0.00 56.93 58.72 3d1q s PHE 289 Cb -0.01 -3.03 -0.03 0.00 -1.31 0.00 0.00 43.02 38.65 3d1q s PHE 289 CO 0.04 -1.38 0.21 -0.47 1.83 0.00 0.00 175.22 175.45 3d1q s TYR 290 N -2.61 3.22 -0.45 10.12 6.14 -1.26 -3.87 117.35 128.64 3d1q s TYR 290 Ca 0.63 -0.10 0.13 0.00 0.64 0.00 0.00 57.07 58.37 3d1q s TYR 290 Cb -0.17 -2.42 0.73 0.00 0.42 0.00 0.00 41.96 40.52 3d1q s TYR 290 CO 0.44 -0.28 1.61 0.66 0.64 0.00 0.00 175.55 178.63 3d1q n TYR 291 N 5.07 1.81 -3.05 4.97 4.02 -1.26 -4.91 117.16 123.81 3d1q n TYR 291 Ca -0.13 -0.64 -0.16 0.00 -0.01 0.00 0.00 57.90 56.96 3d1q n TYR 291 Cb 0.51 -0.44 0.06 0.00 -0.02 0.00 0.00 39.34 39.44 3d1q n TYR 291 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3d1q n GLY 292 N 0.64 1.97 3.75 2.72 0.00 -1.26 -4.63 105.19 108.37 3d1q n GLY 292 Ca 0.25 -2.21 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 3d1q n GLY 292 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d1q s GLU 293 N -4.18 4.29 0.21 1.61 2.02 -1.26 -4.95 118.70 116.45 3d1q s GLU 293 Ca 0.50 2.27 -0.17 0.00 0.02 0.00 0.00 54.97 57.59 3d1q s GLU 293 Cb -0.04 -3.10 0.02 0.00 0.10 0.00 0.00 34.13 31.11 3d1q s GLU 293 CO 0.32 -0.35 0.54 -0.59 0.02 0.00 0.00 175.26 175.20 3d1q s PHE 294 N -0.31 -0.07 -0.71 1.61 -0.12 -1.26 -5.02 117.98 112.09 3d1q s PHE 294 Ca 0.56 -0.29 -0.26 0.00 -0.05 0.00 0.00 56.93 56.90 3d1q s PHE 294 Cb -0.41 0.41 -0.01 0.00 -0.63 0.00 0.00 43.02 42.38 3d1q s PHE 294 CO 0.46 -0.97 1.69 -2.14 -0.05 0.00 0.00 175.22 174.22 3d1q s PRO 295 N -3.90 2.82 0.08 1.99 0.02 -1.26 -4.95 135.00 129.81 3d1q s PRO 295 Ca 0.11 0.16 -0.31 0.00 0.02 0.00 0.00 61.00 60.98 3d1q s PRO 295 Cb -0.02 -4.48 -0.08 0.00 0.02 0.00 0.00 34.50 29.95 3d1q s PRO 295 CO -0.00 -2.63 1.46 0.42 -0.33 0.00 0.00 177.00 175.92 3d1q s ILE 296 N 8.08 3.29 -0.05 2.83 1.01 -1.26 -4.99 121.20 130.11 3d1q s ILE 296 Ca 0.58 0.84 -0.01 0.00 0.00 0.00 0.00 60.65 62.05 3d1q s ILE 296 Cb -0.10 -3.54 0.03 0.00 0.01 0.00 0.00 42.46 38.86 3d1q s ILE 296 CO 0.14 0.03 0.03 -0.54 0.00 0.00 0.00 174.94 174.61 3d1q s LYS 297 N 1.78 0.22 0.15 2.79 1.02 -1.26 -5.14 119.74 119.30 3d1q s LYS 297 Ca 0.67 0.23 0.09 0.00 0.02 0.00 0.00 55.97 56.98 3d1q s LYS 297 Cb -0.37 -0.65 -0.04 0.00 -0.52 0.00 0.00 37.83 36.25 3d1q s LYS 297 CO 0.30 -0.28 -0.21 0.95 -0.92 0.00 0.00 175.35 175.19 3d1q s THR 298 N 1.86 1.93 1.02 2.17 -4.23 -1.26 -5.12 115.64 112.01 3d1q s THR 298 Ca 0.02 -1.83 -0.12 0.00 -1.18 0.00 0.00 61.69 58.57 3d1q s THR 298 Cb -0.12 -1.84 0.20 0.00 1.34 0.00 0.00 72.50 72.08 3d1q s THR 298 CO -0.04 -0.18 1.08 -0.54 -0.54 0.00 0.00 174.62 174.40 3d1q s LYS 299 N -2.49 0.29 0.22 3.99 1.02 -1.26 -4.81 119.74 116.69 3d1q s LYS 299 Ca 0.14 0.70 -0.08 0.00 0.02 0.00 0.00 55.97 56.75 3d1q s LYS 299 Cb -0.08 -1.71 0.17 0.00 -0.52 0.00 0.00 37.83 35.70 3d1q s LYS 299 CO 0.07 -2.87 1.81 -0.44 -0.92 0.00 0.00 175.35 172.99 3d1q h ASP 300 N -2.00 1.08 0.35 2.83 3.32 -2.01 -1.80 116.42 118.19 3d1q h ASP 300 Ca -0.55 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.36 3d1q h ASP 300 Cb 1.32 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.59 3d1q h ASP 300 CO 0.55 0.92 0.00 2.29 -1.72 0.00 0.00 179.24 181.27 3d1q n LYS 301 N -4.33 0.37 -0.11 3.56 2.85 -1.26 -2.46 118.16 116.78 3d1q n LYS 301 Ca 0.08 0.07 0.05 0.00 -1.05 0.00 0.00 58.31 57.45 3d1q n LYS 301 Cb 0.14 -1.50 0.10 0.00 -0.65 0.00 0.00 35.03 33.12 3d1q n LYS 301 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3d1q n ASP 302 N -1.24 2.53 0.32 -5.58 10.43 -0.71 -4.69 116.55 117.60 3d1q n ASP 302 Ca 0.11 -2.40 0.20 0.00 2.57 0.00 0.00 54.79 55.28 3d1q n ASP 302 Cb 0.16 -0.22 1.10 0.00 1.84 0.00 0.00 41.12 44.00 3d1q n ASP 302 CO 0.00 0.00 0.00 0.77 -1.07 0.00 0.00 177.20 176.90 3d1q h SER 303 N 0.66 0.00 0.48 -2.24 4.64 -1.13 -1.33 113.55 114.63 3d1q h SER 303 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3d1q h SER 303 Cb 0.79 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3d1q h SER 303 CO 0.03 0.01 -0.09 4.11 -0.87 0.00 0.00 176.83 180.01 3d1q h TRP 304 N 0.00 0.00 0.00 4.77 5.08 -1.85 -2.87 115.95 121.09 3d1q h TRP 304 Ca -0.00 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 59.87 3d1q h TRP 304 Cb 0.05 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.20 3d1q h TRP 304 CO 0.00 0.09 -0.47 0.87 -1.28 0.00 0.00 178.44 177.66 3d1q h LYS 305 N 0.00 0.00 -0.60 0.12 1.57 -1.62 -3.36 116.57 112.68 3d1q h LYS 305 Ca -0.00 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.86 3d1q h LYS 305 Cb 0.36 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.57 3d1q h LYS 305 CO 0.01 0.47 -0.49 1.15 -0.57 0.00 0.00 179.45 180.02 3d1q h THR 306 N 0.00 0.04 0.00 -0.16 2.02 -1.66 0.32 112.91 113.47 3d1q h THR 306 Ca -0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 3d1q h THR 306 Cb 0.91 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.36 3d1q h THR 306 CO 0.06 0.00 -0.12 0.07 0.37 0.00 0.00 175.52 175.90 3d1q h LYS 307 N -0.24 0.00 -0.03 6.66 2.10 -1.81 -1.53 116.57 121.72 3d1q h LYS 307 Ca 0.15 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.60 3d1q h LYS 307 Cb 0.56 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.88 3d1q h LYS 307 CO -0.70 0.12 -0.82 1.88 -2.00 0.00 0.00 179.45 177.92 3d1q h TYR 308 N 0.00 0.45 -0.49 0.07 -1.99 -1.20 -0.10 116.97 113.71 3d1q h TYR 308 Ca -0.00 -0.22 -0.13 0.00 2.00 0.00 0.00 58.73 60.37 3d1q h TYR 308 Cb 0.41 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 39.07 3d1q h TYR 308 CO 0.00 1.01 -0.21 1.88 -0.00 0.00 0.00 178.16 180.84 3d1q h TYR 309 N 0.19 1.16 -0.40 4.88 0.05 -0.53 -1.24 116.97 121.08 3d1q h TYR 309 Ca -0.05 -0.28 -0.11 0.00 0.05 0.00 0.00 58.73 58.34 3d1q h TYR 309 Cb 1.42 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 38.88 3d1q h TYR 309 CO 0.04 1.11 -0.21 0.00 -1.05 0.00 0.00 178.16 178.05 3d1q h ARG 310 N 0.87 0.79 -0.75 4.88 3.08 -1.20 -2.31 114.38 119.73 3d1q h ARG 310 Ca 0.11 -0.31 -0.05 0.00 0.07 0.00 0.00 59.98 59.80 3d1q h ARG 310 Cb 0.79 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.77 3d1q h ARG 310 CO 0.07 0.93 0.29 1.49 -1.07 0.00 0.00 179.97 181.67 3d1q h GLU 311 N 0.69 1.14 -0.66 0.04 4.81 -0.81 -2.41 114.58 117.38 3d1q h GLU 311 Ca 0.10 -0.22 -0.05 0.00 -0.13 0.00 0.00 59.36 59.06 3d1q h GLU 311 Cb 0.72 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 3d1q h GLU 311 CO 0.06 0.94 0.21 0.87 -0.73 0.00 0.00 179.01 180.35 3d1q h LYS 312 N 1.10 1.00 -0.54 1.92 1.57 -1.01 0.24 116.57 120.84 3d1q h LYS 312 Ca 0.25 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3d1q h LYS 312 Cb 0.24 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 3d1q h LYS 312 CO -0.02 0.86 0.29 0.82 -0.57 0.00 0.00 179.45 180.83 3d1q h ILE 313 N 0.97 1.19 -0.42 1.86 2.04 -1.01 -0.55 117.51 121.59 3d1q h ILE 313 Ca 0.22 -0.49 -0.12 0.00 1.00 0.00 0.00 64.86 65.47 3d1q h ILE 313 Cb 0.27 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 3d1q h ILE 313 CO -0.01 0.21 -0.19 0.58 0.00 0.00 0.00 178.15 178.74 3d1q h VAL 314 N 0.73 1.28 -0.11 1.67 2.07 -1.08 -3.05 116.25 117.75 3d1q h VAL 314 Ca 0.19 -1.33 -0.12 0.00 0.82 0.00 0.00 66.70 66.26 3d1q h VAL 314 Cb 0.07 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3d1q h VAL 314 CO -0.03 0.45 -0.47 0.24 0.02 0.00 0.00 177.57 177.78 3d1q h MET 315 N 0.69 0.27 -0.73 1.57 2.86 -0.68 -1.43 114.93 117.49 3d1q h MET 315 Ca 0.10 -0.14 0.01 0.00 -2.06 0.00 0.00 59.70 57.60 3d1q h MET 315 Cb 0.75 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.37 3d1q h MET 315 CO 0.06 0.69 0.48 0.82 1.06 0.00 0.00 176.91 180.01 3d1q h ILE 316 N 0.22 1.17 -0.61 -1.22 1.08 -1.05 0.14 117.51 117.24 3d1q h ILE 316 Ca 0.01 -0.33 -0.06 0.00 -0.39 0.00 0.00 64.86 64.09 3d1q h ILE 316 Cb 0.92 0.12 -0.02 0.00 -3.07 0.00 0.00 36.82 34.76 3d1q h ILE 316 CO 0.07 0.18 0.14 -0.33 -0.69 0.00 0.00 178.15 177.52 3d1q h GLU 317 N 0.97 0.98 -0.28 2.37 5.08 -1.36 -1.79 114.58 120.54 3d1q h GLU 317 Ca 0.27 -0.24 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 3d1q h GLU 317 Cb -0.09 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 3d1q h GLU 317 CO -0.07 0.90 -0.21 0.37 -1.00 0.00 0.00 179.01 179.00 3d1q h GLN 318 N 0.89 0.51 -0.40 2.33 5.75 -0.61 -1.22 115.11 122.36 3d1q h GLN 318 Ca 0.19 -0.18 -0.14 0.00 -0.15 0.00 0.00 58.65 58.37 3d1q h GLN 318 Cb 0.36 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 3d1q h GLN 318 CO 0.00 0.70 -0.31 0.35 -2.65 0.00 0.00 178.83 176.92 3d1q h PHE 319 N 0.46 1.05 -0.63 3.99 3.57 -0.42 -0.54 116.94 124.41 3d1q h PHE 319 Ca 0.07 -0.28 0.04 0.00 3.53 0.00 0.00 57.97 61.33 3d1q h PHE 319 Cb 0.62 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 39.08 3d1q h PHE 319 CO 0.02 1.09 0.37 -0.92 -2.23 0.00 0.00 178.31 176.64 3d1q h TYR 320 N 0.76 0.68 -0.78 0.41 5.03 -0.99 0.10 116.97 122.17 3d1q h TYR 320 Ca 0.08 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.41 3d1q h TYR 320 Cb 0.88 -0.21 -0.04 0.00 1.55 0.00 0.00 36.73 38.91 3d1q h TYR 320 CO 0.05 0.36 0.49 -0.09 -1.32 0.00 0.00 178.16 177.65 3d1q h ARG 321 N 0.70 1.05 -0.31 1.82 2.43 -0.98 -0.57 114.38 118.51 3d1q h ARG 321 Ca 0.27 -0.08 0.04 0.00 -0.81 0.00 0.00 59.98 59.40 3d1q h ARG 321 Cb 0.10 -0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 29.39 3d1q h ARG 321 CO -0.14 0.72 0.09 -0.92 -1.51 0.00 0.00 179.97 178.21 3d1q h TYR 322 N 1.06 0.16 -0.52 2.20 3.20 -0.00 -0.30 116.97 122.77 3d1q h TYR 322 Ca 0.28 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.16 3d1q h TYR 322 Cb -0.07 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.15 3d1q h TYR 322 CO -0.01 0.06 0.31 0.28 -1.64 0.00 0.00 178.16 177.16 3d1q h VAL 323 N 0.22 1.16 -0.19 1.81 2.07 -0.42 -1.30 116.25 119.60 3d1q h VAL 323 Ca 0.14 -0.38 -0.10 0.00 0.82 0.00 0.00 66.70 67.19 3d1q h VAL 323 Cb 0.13 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3d1q h VAL 323 CO -0.16 0.17 -0.30 1.56 0.02 0.00 0.00 177.57 178.85 3d1q h GLN 324 N 0.70 0.37 -0.00 1.57 1.08 -0.77 -2.82 115.11 115.24 3d1q h GLN 324 Ca 0.19 -0.15 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 3d1q h GLN 324 Cb 0.00 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.41 3d1q h GLN 324 CO -0.03 0.64 -0.52 0.39 -0.95 0.00 0.00 178.83 178.36 3d1q n GLU 325 N -4.10 0.40 0.00 1.46 1.02 -0.15 -4.20 120.64 115.07 3d1q n GLU 325 Ca -0.01 -0.27 0.00 0.00 -0.02 0.00 0.00 57.16 56.86 3d1q n GLU 325 Cb 0.42 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 3d1q n GLU 325 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3d1q n ASN 326 N -1.06 1.40 0.08 1.62 3.02 -0.52 -4.71 115.26 115.08 3d1q n ASN 326 Ca 0.08 -1.45 -0.16 0.00 -0.03 0.00 0.00 54.58 53.02 3d1q n ASN 326 Cb 0.35 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.44 3d1q n ASN 326 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 3d1q h ARG 327 N 0.00 0.43 -0.88 3.52 0.11 -1.67 0.19 114.38 116.08 3d1q h ARG 327 Ca 0.00 -0.54 0.14 0.00 0.10 0.00 0.00 59.98 59.68 3d1q h ARG 327 Cb 0.26 0.17 -0.07 0.00 1.11 0.00 0.00 29.97 31.44 3d1q h ARG 327 CO 0.00 1.20 0.57 0.00 0.10 0.00 0.00 179.97 181.83 3d1q h ALA 328 N 0.60 1.82 -0.67 0.08 0.00 -1.84 0.10 119.26 119.36 3d1q h ALA 328 Ca -0.12 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3d1q h ALA 328 Cb 1.75 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.41 3d1q h ALA 328 CO 0.19 -0.05 0.00 -0.40 0.00 0.00 0.00 179.25 178.99 3d1q n ASP 329 N -4.55 4.07 -0.79 0.00 3.85 -1.24 -4.93 116.55 112.95 3d1q n ASP 329 Ca 0.17 -2.17 -0.05 0.00 -0.71 0.00 0.00 54.79 52.03 3d1q n ASP 329 Cb 0.45 -0.51 0.01 0.00 -1.35 0.00 0.00 41.12 39.72 3d1q n ASP 329 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3d1q n GLY 330 N 1.41 0.36 3.69 6.12 0.00 0.36 -4.02 105.19 113.11 3d1q n GLY 330 Ca 0.24 -0.60 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 3d1q n GLY 330 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3d1q n TYR 331 N -3.61 -2.10 0.11 1.61 4.01 0.67 -4.88 117.16 112.97 3d1q n TYR 331 Ca -0.03 0.88 0.03 0.00 -0.16 0.00 0.00 57.90 58.62 3d1q n TYR 331 Cb 0.53 -4.49 0.43 0.00 -0.31 0.00 0.00 39.34 35.51 3d1q n TYR 331 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 3d1q h GLN 332 N -1.97 0.27 -5.39 -0.72 1.08 -1.80 -3.40 115.11 103.17 3d1q h GLN 332 Ca -0.60 -0.04 -0.62 0.00 -1.45 0.00 0.00 58.65 55.94 3d1q h GLN 332 Cb 1.36 -0.05 -0.12 0.00 -0.05 0.00 0.00 27.48 28.62 3d1q h GLN 332 CO 0.57 0.32 0.03 0.99 -0.95 0.00 0.00 178.83 179.79 3d1q s THR 333 N -4.95 5.05 0.67 -0.54 2.01 -1.26 -5.05 115.64 111.56 3d1q s THR 333 Ca -0.06 0.93 -0.17 0.00 0.31 0.00 0.00 61.69 62.70 3d1q s THR 333 Cb 0.16 -3.86 0.00 0.00 0.01 0.00 0.00 72.50 68.81 3d1q s THR 333 CO 0.72 0.06 1.26 -2.84 -0.69 0.00 0.00 174.62 173.13 3d1q s PRO 334 N 2.36 2.47 0.21 4.92 0.02 -1.26 -4.77 135.00 138.95 3d1q s PRO 334 Ca 0.22 1.94 -0.10 0.00 0.02 0.00 0.00 61.00 63.09 3d1q s PRO 334 Cb -0.16 -1.85 0.27 0.00 0.02 0.00 0.00 34.50 32.78 3d1q s PRO 334 CO 0.09 -1.63 1.73 2.35 -0.33 0.00 0.00 177.00 179.22 3d1q h TRP 335 N 0.33 0.33 -0.74 6.54 2.91 -1.93 -0.94 115.95 122.45 3d1q h TRP 335 Ca -0.50 0.03 0.04 0.00 1.13 0.00 0.00 58.89 59.59 3d1q h TRP 335 Cb 1.32 -0.06 -0.05 0.00 -0.51 0.00 0.00 29.16 29.86 3d1q h TRP 335 CO 0.44 0.06 0.46 0.66 -1.03 0.00 0.00 178.44 179.02 3d1q h SER 336 N 0.35 0.74 -0.13 2.65 4.64 -1.92 0.12 113.55 120.00 3d1q h SER 336 Ca 0.30 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.59 3d1q h SER 336 Cb 0.39 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3d1q h SER 336 CO -0.33 0.50 -0.07 0.58 -0.87 0.00 0.00 176.83 176.65 3d1q h VAL 337 N 0.88 1.32 -0.90 0.95 2.07 -1.81 -2.32 116.25 116.43 3d1q h VAL 337 Ca 0.30 -1.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 3d1q h VAL 337 Cb 0.06 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 3d1q h VAL 337 CO -0.13 0.32 0.55 -0.25 0.02 0.00 0.00 177.57 178.09 3d1q h TRP 338 N -0.08 1.18 -0.28 1.57 7.01 -0.89 -2.47 115.95 122.00 3d1q h TRP 338 Ca 0.03 0.00 -0.09 0.00 2.11 0.00 0.00 58.89 60.94 3d1q h TRP 338 Cb 0.54 -0.39 -0.01 0.00 -2.10 0.00 0.00 29.16 27.19 3d1q h TRP 338 CO 0.07 0.78 -0.20 1.25 -2.79 0.00 0.00 178.44 177.55 3d1q h LEU 339 N 1.24 0.50 -1.02 0.65 5.85 -0.65 0.32 115.31 122.20 3d1q h LEU 339 Ca 0.33 -0.15 -0.10 0.00 0.84 0.00 0.00 57.88 58.79 3d1q h LEU 339 Cb -0.07 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 3d1q h LEU 339 CO -0.06 0.71 -0.42 0.11 -0.34 0.00 0.00 178.44 178.44 3d1q h LYS 340 N 0.46 0.13 0.00 1.25 1.57 -0.98 -2.42 116.57 116.58 3d1q h LYS 340 Ca 0.07 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3d1q h LYS 340 Cb 0.60 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 3d1q h LYS 340 CO 0.04 0.54 -0.50 -1.13 -0.57 0.00 0.00 179.45 177.83 3d1q n SER 341 N -4.02 0.50 -3.22 0.86 3.41 -0.84 -4.31 113.62 105.99 3d1q n SER 341 Ca -0.02 -0.16 -0.24 0.00 -0.26 0.00 0.00 58.87 58.19 3d1q n SER 341 Cb 0.47 0.21 -0.06 0.00 -0.26 0.00 0.00 64.21 64.57 3d1q n SER 341 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3d1q n HIS 342 N -1.58 0.82 -1.70 7.33 8.25 0.04 -5.10 115.22 123.28 3d1q n HIS 342 Ca 0.05 -3.75 -0.41 0.00 -0.26 0.00 0.00 57.72 53.35 3d1q n HIS 342 Cb 0.35 -0.41 0.01 0.00 1.12 0.00 0.00 29.99 31.06 3d1q n HIS 342 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3d1q n PRO 343 N 0.99 1.92 -2.04 -0.41 -0.02 -0.93 -4.69 135.00 129.82 3d1q n PRO 343 Ca 0.24 0.69 -0.31 0.00 -2.02 0.00 0.00 63.50 62.09 3d1q n PRO 343 Cb 0.52 -2.40 -0.00 0.00 -0.02 0.00 0.00 33.50 31.60 3d1q n PRO 343 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3d1q s ALA 344 N -1.20 3.07 -0.06 3.55 0.00 -1.26 -5.07 121.76 120.79 3d1q s ALA 344 Ca 0.61 0.01 0.06 0.00 0.00 0.00 0.00 51.96 52.64 3d1q s ALA 344 Cb -0.50 -3.10 -0.01 0.00 0.00 0.00 0.00 23.12 19.51 3d1q s ALA 344 CO 0.58 -0.55 -0.24 0.15 0.00 0.00 0.00 175.76 175.69 3d1q s LYS 345 N -4.79 2.56 0.00 0.00 1.02 -1.26 -4.54 119.74 112.73 3d1q s LYS 345 Ca 0.56 -0.89 0.03 0.00 0.02 0.00 0.00 55.97 55.70 3d1q s LYS 345 Cb -0.11 -2.19 0.19 0.00 -0.52 0.00 0.00 37.83 35.20 3d1q s LYS 345 CO 0.46 0.40 0.67 0.00 -0.92 0.00 0.00 175.35 175.96