#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3drx n LEU 35 N 0.00 -0.65 -0.08 0.00 0.00 -1.26 -0.55 117.00 114.46 3drx n LEU 35 Ca 0.00 1.15 -0.01 0.00 0.00 0.00 0.00 56.01 57.16 3drx n LEU 35 Cb 0.00 -0.17 0.27 0.00 0.00 0.00 0.00 43.42 43.52 3drx n LEU 35 CO 0.00 -0.95 1.03 0.00 0.00 0.00 0.00 177.39 177.47 3drx h ALA 36 N 0.41 1.37 -4.09 1.96 0.00 -2.08 -3.46 119.26 113.37 3drx h ALA 36 Ca 0.12 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 3drx h ALA 36 Cb 0.28 -0.20 0.04 0.00 0.00 0.00 0.00 17.79 17.91 3drx h ALA 36 CO -0.62 0.46 0.06 1.04 0.00 0.00 0.00 179.25 180.20 3drx n GLN 37 N -4.33 0.21 -2.58 0.00 6.02 0.29 -5.04 117.38 111.95 3drx n GLN 37 Ca 0.04 -0.89 -0.39 0.00 -0.01 0.00 0.00 57.00 55.75 3drx n GLN 37 Cb 0.18 -0.28 -0.05 0.00 1.02 0.00 0.00 30.24 31.11 3drx n GLN 37 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3drx s ARG 38 N -3.45 4.55 0.13 -1.09 6.06 -1.26 -4.86 118.95 119.02 3drx s ARG 38 Ca 0.23 1.62 -0.31 0.00 -2.50 0.00 0.00 55.73 54.77 3drx s ARG 38 Cb -0.01 -2.99 -0.08 0.00 0.06 0.00 0.00 34.95 31.93 3drx s ARG 38 CO 0.16 0.18 1.37 -1.25 -2.50 0.00 0.00 175.30 173.26 3drx s PRO 39 N -1.74 4.33 0.00 5.12 0.04 -1.26 -2.56 135.00 138.93 3drx s PRO 39 Ca 0.48 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.59 3drx s PRO 39 Cb -0.27 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.03 3drx s PRO 39 CO 0.34 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.38 3drx n GLY 40 N 3.30 1.46 3.87 0.56 0.00 -1.26 -5.09 105.19 108.02 3drx n GLY 40 Ca 0.11 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 3drx n GLY 40 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3drx s SER 41 N -0.26 4.16 0.01 1.61 0.15 -1.06 -5.10 113.70 113.21 3drx s SER 41 Ca 0.00 0.82 0.02 0.00 0.70 0.00 0.00 55.95 57.49 3drx s SER 41 Cb 0.00 -1.33 -0.01 0.00 -1.71 0.00 0.00 66.02 62.97 3drx s SER 41 CO 0.00 -2.13 -0.07 0.68 1.20 0.00 0.00 173.24 172.92 3drx s VAL 42 N -3.49 0.56 -0.03 4.45 -7.23 -1.26 -4.53 120.40 108.86 3drx s VAL 42 Ca 0.63 -0.48 0.05 0.00 -1.81 0.00 0.00 61.98 60.37 3drx s VAL 42 Cb -0.12 -0.51 -0.01 0.00 0.56 0.00 0.00 36.38 36.31 3drx s VAL 42 CO 0.50 0.04 -0.19 -0.44 -0.31 0.00 0.00 175.10 174.71 3drx s SER 43 N -0.48 2.29 -0.95 4.85 0.01 -1.26 -5.07 113.70 113.08 3drx s SER 43 Ca 0.00 -0.37 -0.15 0.00 1.31 0.00 0.00 55.95 56.75 3drx s SER 43 Cb -0.04 -0.49 0.19 0.00 0.21 0.00 0.00 66.02 65.89 3drx s SER 43 CO -0.00 0.20 1.02 -0.54 0.41 0.00 0.00 173.24 174.33 3drx s LYS 44 N -0.17 3.76 0.30 12.44 -0.14 -1.26 -5.02 119.74 129.65 3drx s LYS 44 Ca 0.01 -2.37 -0.30 0.00 -1.36 0.00 0.00 55.97 51.94 3drx s LYS 44 Cb -0.10 -4.69 -0.12 0.00 -1.68 0.00 0.00 37.83 31.24 3drx s LYS 44 CO 0.01 -1.50 1.58 0.91 -0.76 0.00 0.00 175.35 175.59 3drx n TRP 45 N 4.82 2.85 -4.31 3.18 7.02 -1.26 -1.19 117.44 128.54 3drx n TRP 45 Ca 0.22 0.28 -0.19 0.00 -1.02 0.00 0.00 57.50 56.78 3drx n TRP 45 Cb 0.46 -2.59 -0.15 0.00 -2.42 0.00 0.00 31.31 26.61 3drx n TRP 45 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 3drx s VAL 46 N -0.13 0.66 -0.16 -0.99 1.01 0.52 -4.85 120.40 116.46 3drx s VAL 46 Ca 0.63 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 62.28 3drx s VAL 46 Cb -0.50 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 3drx s VAL 46 CO 0.50 0.21 -0.07 -0.13 0.00 0.00 0.00 175.10 175.61 3drx s ARG 47 N 0.17 3.48 -0.12 2.72 0.52 -1.26 -0.99 118.95 123.48 3drx s ARG 47 Ca -0.02 -0.61 -0.03 0.00 -0.52 0.00 0.00 55.73 54.54 3drx s ARG 47 Cb -0.07 -2.84 -0.03 0.00 0.52 0.00 0.00 34.95 32.52 3drx s ARG 47 CO 0.00 0.10 0.01 -0.51 0.02 0.00 0.00 175.30 174.93 3drx s LEU 48 N 0.68 3.61 -0.78 2.53 1.43 0.20 -1.51 118.68 124.84 3drx s LEU 48 Ca -0.04 0.10 -0.07 0.00 -1.03 0.00 0.00 54.13 53.10 3drx s LEU 48 Cb -0.15 -1.85 0.20 0.00 0.03 0.00 0.00 46.19 44.42 3drx s LEU 48 CO 0.02 0.31 0.67 0.21 0.23 0.00 0.00 176.35 177.79 3drx s ASN 49 N -0.44 6.06 -0.33 2.29 3.84 0.15 0.33 114.94 126.84 3drx s ASN 49 Ca 0.08 -3.02 -0.23 0.00 0.21 0.00 0.00 52.86 49.90 3drx s ASN 49 Cb -0.12 -2.01 0.00 0.00 -0.55 0.00 0.00 41.25 38.57 3drx s ASN 49 CO 0.02 -0.40 0.79 -0.69 -2.79 0.00 0.00 177.10 174.03 3drx s VAL 50 N -0.33 4.77 -0.99 -5.21 1.01 -0.11 -1.77 120.40 117.78 3drx s VAL 50 Ca 0.20 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.27 3drx s VAL 50 Cb -0.14 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.07 3drx s VAL 50 CO -0.07 -0.31 0.00 0.61 0.00 0.00 0.00 175.10 175.32 3drx n GLY 51 N 4.31 0.76 0.00 4.51 0.00 0.14 -0.18 105.19 114.73 3drx n GLY 51 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3drx n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3drx n GLY 52 N -0.23 0.86 3.24 -0.02 0.00 -1.26 -4.81 105.19 102.97 3drx n GLY 52 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 3drx n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3drx s THR 53 N -2.00 2.17 0.03 2.61 2.01 0.75 -5.08 115.64 116.13 3drx s THR 53 Ca 0.00 -0.98 -0.27 0.00 0.31 0.00 0.00 61.69 60.75 3drx s THR 53 Cb 0.00 -1.83 -0.05 0.00 0.01 0.00 0.00 72.50 70.63 3drx s THR 53 CO 0.00 0.56 0.84 -0.31 -0.69 0.00 0.00 174.62 175.01 3drx s TYR 54 N 0.30 3.71 -0.09 4.92 2.02 -1.26 -0.93 117.35 126.02 3drx s TYR 54 Ca -0.17 1.54 0.04 0.00 -0.37 0.00 0.00 57.07 58.11 3drx s TYR 54 Cb -0.17 -2.92 0.00 0.00 -0.40 0.00 0.00 41.96 38.46 3drx s TYR 54 CO 0.08 0.17 -0.21 -0.06 -1.57 0.00 0.00 175.55 173.96 3drx s PHE 55 N 0.33 2.26 -0.23 2.71 0.08 0.15 -4.96 117.98 118.32 3drx s PHE 55 Ca 0.43 -0.90 -0.10 0.00 0.12 0.00 0.00 56.93 56.48 3drx s PHE 55 Cb -0.21 -1.53 -0.05 0.00 -0.57 0.00 0.00 43.02 40.66 3drx s PHE 55 CO 0.24 -0.37 0.14 -1.17 -0.10 0.00 0.00 175.22 173.96 3drx s LEU 56 N 0.41 4.05 0.00 -0.37 2.96 -1.26 -0.63 118.68 123.83 3drx s LEU 56 Ca -0.17 0.10 -0.13 0.00 -0.22 0.00 0.00 54.13 53.71 3drx s LEU 56 Cb -0.17 -2.07 0.05 0.00 0.50 0.00 0.00 46.19 44.49 3drx s LEU 56 CO 0.07 0.09 0.68 1.07 -1.32 0.00 0.00 176.35 176.95 3drx n THR 57 N 4.13 0.00 -4.35 3.68 5.66 -0.16 -5.00 114.28 118.24 3drx n THR 57 Ca -0.15 -0.82 -0.29 0.00 -3.05 0.00 0.00 64.05 59.74 3drx n THR 57 Cb 0.52 0.83 -0.12 0.00 -1.55 0.00 0.00 70.33 70.02 3drx n THR 57 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3drx s THR 58 N -2.23 2.61 0.59 1.09 -4.23 -1.26 0.19 115.64 112.41 3drx s THR 58 Ca 0.14 -1.69 0.29 0.00 -1.18 0.00 0.00 61.69 59.25 3drx s THR 58 Cb -0.04 -2.21 0.38 0.00 1.34 0.00 0.00 72.50 71.98 3drx s THR 58 CO 0.10 0.04 1.82 0.03 -0.54 0.00 0.00 174.62 176.06 3drx h ARG 59 N 3.61 0.00 -0.26 3.99 3.08 -1.47 -0.34 114.38 122.99 3drx h ARG 59 Ca -0.49 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.46 3drx h ARG 59 Cb 1.18 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.22 3drx h ARG 59 CO 0.45 0.00 -0.22 0.37 -1.07 0.00 0.00 179.97 179.49 3drx h GLN 60 N 0.00 0.61 0.00 0.04 4.15 -1.88 -2.81 115.11 115.23 3drx h GLN 60 Ca 0.25 -0.31 0.00 0.00 0.77 0.00 0.00 58.65 59.36 3drx h GLN 60 Cb 1.42 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.12 3drx h GLN 60 CO -0.00 0.90 0.00 1.15 -1.93 0.00 0.00 178.83 178.95 3drx h THR 61 N 0.33 0.00 -0.16 2.39 2.02 -1.43 -2.94 112.91 113.13 3drx h THR 61 Ca 0.05 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.00 3drx h THR 61 Cb 0.78 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 3drx h THR 61 CO 0.06 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.13 3drx n LEU 62 N -2.94 2.24 -0.21 2.58 4.77 -1.06 -3.39 117.00 118.99 3drx n LEU 62 Ca -0.01 -0.88 0.12 0.00 -0.03 0.00 0.00 56.01 55.21 3drx n LEU 62 Cb 0.18 -0.10 0.23 0.00 -2.33 0.00 0.00 43.42 41.39 3drx n LEU 62 CO 0.22 0.44 0.47 0.00 -1.33 0.00 0.00 177.39 177.19 3drx h ARG 64 N 1.04 0.24 -4.52 0.00 2.47 -1.73 -3.33 114.38 108.55 3drx h ARG 64 Ca 0.00 -0.01 -0.63 0.00 -1.26 0.00 0.00 59.98 58.07 3drx h ARG 64 Cb 0.55 -0.05 -0.38 0.00 -1.65 0.00 0.00 29.97 28.44 3drx h ARG 64 CO 0.00 0.16 -0.79 0.34 0.56 0.00 0.00 179.97 180.24 3drx s ASP 65 N -5.12 4.08 0.43 7.04 -1.08 -1.26 -4.96 116.67 115.80 3drx s ASP 65 Ca -0.12 -1.29 0.29 0.00 -0.52 0.00 0.00 52.55 50.91 3drx s ASP 65 Cb 0.25 -1.31 1.10 0.00 -1.46 0.00 0.00 42.92 41.50 3drx s ASP 65 CO 0.77 -0.23 1.85 -0.65 0.52 0.00 0.00 175.17 177.43 3drx h PRO 66 N 7.88 0.00 -0.00 4.34 0.11 -1.90 -2.39 132.00 140.05 3drx h PRO 66 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 3drx h PRO 66 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3drx h PRO 66 CO 0.43 0.00 -0.14 1.63 -0.21 0.00 0.00 178.00 179.71 3drx n LYS 67 N -2.78 0.03 -3.21 1.05 4.01 -1.26 -4.83 118.16 111.17 3drx n LYS 67 Ca 0.02 -0.01 -0.36 0.00 -0.51 0.00 0.00 58.31 57.46 3drx n LYS 67 Cb 0.32 -1.50 -0.06 0.00 -0.51 0.00 0.00 35.03 33.28 3drx n LYS 67 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 3drx s SER 68 N -2.97 6.94 0.32 4.39 0.15 -0.90 -4.91 113.70 116.73 3drx s SER 68 Ca 0.14 1.27 0.25 0.00 0.70 0.00 0.00 55.95 58.30 3drx s SER 68 Cb 0.19 -2.36 1.15 0.00 -1.71 0.00 0.00 66.02 63.28 3drx s SER 68 CO 0.57 0.05 1.75 2.19 1.20 0.00 0.00 173.24 179.00 3drx h PHE 69 N 3.41 0.00 0.00 3.44 -5.15 -1.84 -0.66 116.94 116.13 3drx h PHE 69 Ca -0.48 0.00 -0.07 0.00 -0.20 0.00 0.00 57.97 57.22 3drx h PHE 69 Cb 1.19 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.35 3drx h PHE 69 CO 0.64 0.00 -0.35 -0.07 -2.00 0.00 0.00 178.31 176.53 3drx h LEU 70 N 0.00 0.00 -1.68 2.10 3.38 -1.88 -2.62 115.31 114.60 3drx h LEU 70 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3drx h LEU 70 Cb 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3drx h LEU 70 CO 0.00 0.35 0.47 0.22 0.09 0.00 0.00 178.44 179.57 3drx h TYR 71 N 0.00 0.00 -0.11 1.13 3.20 -1.18 0.67 116.97 120.68 3drx h TYR 71 Ca -0.00 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.90 3drx h TYR 71 Cb 0.67 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.93 3drx h TYR 71 CO 0.00 0.00 0.09 0.00 -1.64 0.00 0.00 178.16 176.61 3drx h ARG 72 N 0.00 0.00 0.00 1.82 3.08 -1.65 0.31 114.38 117.94 3drx h ARG 72 Ca 0.04 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 3drx h ARG 72 Cb 0.98 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.02 3drx h ARG 72 CO -0.00 0.00 -0.91 -0.07 -1.07 0.00 0.00 179.97 177.92 3drx h LEU 73 N 0.00 0.00 -0.75 3.04 4.07 0.13 -3.32 115.31 118.47 3drx h LEU 73 Ca 0.05 0.00 0.13 0.00 0.08 0.00 0.00 57.88 58.14 3drx h LEU 73 Cb 0.24 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 41.84 3drx h LEU 73 CO -0.00 0.43 -0.34 0.00 -1.08 0.00 0.00 178.44 177.44 3drx s GLN 75 N -6.00 4.59 0.05 0.00 -1.52 -1.24 -4.83 119.66 110.71 3drx s GLN 75 Ca -0.14 1.36 -0.31 0.00 -1.95 0.00 0.00 55.36 54.32 3drx s GLN 75 Cb 0.18 -3.42 -0.07 0.00 -0.22 0.00 0.00 33.01 29.47 3drx s GLN 75 CO 0.70 0.08 1.57 0.00 -0.25 0.00 0.00 175.29 177.40 3drx s ALA 76 N 0.55 3.65 -0.19 6.09 0.00 -1.26 -4.98 121.76 125.62 3drx s ALA 76 Ca 0.48 1.11 -0.06 0.00 0.00 0.00 0.00 51.96 53.49 3drx s ALA 76 Cb -0.21 -3.66 0.09 0.00 0.00 0.00 0.00 23.12 19.33 3drx s ALA 76 CO 0.27 -1.04 0.38 0.34 0.00 0.00 0.00 175.76 175.72 3drx s ASP 77 N 2.21 -0.07 -0.10 0.00 -1.08 -1.26 -5.04 116.67 111.34 3drx s ASP 77 Ca 0.71 0.83 -0.17 0.00 -0.52 0.00 0.00 52.55 53.39 3drx s ASP 77 Cb -0.37 1.19 -0.28 0.00 -1.46 0.00 0.00 42.92 42.00 3drx s ASP 77 CO 0.30 -0.24 0.61 1.55 0.52 0.00 0.00 175.17 177.92 3drx h PRO 78 N 8.20 0.24 -2.96 4.34 0.13 -2.02 -3.37 132.00 136.57 3drx h PRO 78 Ca -0.16 -0.42 -0.70 0.00 -0.87 0.00 0.00 66.00 63.85 3drx h PRO 78 Cb 1.11 0.15 -0.04 0.00 0.13 0.00 0.00 31.00 32.36 3drx h PRO 78 CO 0.14 1.20 3.22 -0.40 -0.23 0.00 0.00 178.00 181.92 3drx n ASP 79 N -3.99 8.02 0.00 1.44 5.68 -1.26 -2.61 116.55 123.83 3drx n ASP 79 Ca -0.23 -2.82 0.00 0.00 -0.50 0.00 0.00 54.79 51.24 3drx n ASP 79 Cb 0.87 -1.49 0.00 0.00 -1.14 0.00 0.00 41.12 39.36 3drx n ASP 79 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 3drx n LEU 80 N 3.10 0.00 0.00 -2.12 0.00 -1.26 -5.08 117.00 111.64 3drx n LEU 80 Ca 0.69 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.70 3drx n LEU 80 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.67 3drx n LEU 80 CO 0.80 0.00 0.00 -0.67 0.00 0.00 0.00 177.39 177.52 3drx n ASP 81 N -0.11 0.00 -4.90 1.96 2.03 -1.07 -4.89 116.55 109.57 3drx n ASP 81 Ca 0.00 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.03 3drx n ASP 81 Cb 0.00 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.40 3drx n ASP 81 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3drx s SER 82 N 0.00 6.29 0.11 1.67 0.01 -1.26 -4.99 113.70 115.53 3drx s SER 82 Ca 0.00 1.00 -0.32 0.00 1.31 0.00 0.00 55.95 57.94 3drx s SER 82 Cb 0.00 -2.28 -0.11 0.00 0.21 0.00 0.00 66.02 63.84 3drx s SER 82 CO 0.00 -0.58 1.82 0.47 0.41 0.00 0.00 173.24 175.35 3drx n ASP 83 N -2.19 3.90 -4.47 2.44 9.92 -1.26 -4.96 116.55 119.93 3drx n ASP 83 Ca 0.01 1.00 -0.24 0.00 -0.53 0.00 0.00 54.79 55.03 3drx n ASP 83 Cb 0.55 -1.52 -0.10 0.00 -0.64 0.00 0.00 41.12 39.41 3drx n ASP 83 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 3drx s LYS 84 N 2.65 1.68 0.73 -1.24 1.02 -1.26 -1.99 119.74 121.33 3drx s LYS 84 Ca 0.82 -1.78 -0.02 0.00 0.02 0.00 0.00 55.97 55.01 3drx s LYS 84 Cb -0.52 -1.73 0.12 0.00 -0.52 0.00 0.00 37.83 35.18 3drx s LYS 84 CO 0.39 0.30 1.01 0.16 -0.92 0.00 0.00 175.35 176.29 3drx s ASP 85 N -3.51 4.33 0.37 2.83 1.47 0.38 -4.90 116.67 117.63 3drx s ASP 85 Ca 0.30 -0.23 0.08 0.00 1.18 0.00 0.00 52.55 53.89 3drx s ASP 85 Cb -0.04 -0.18 0.72 0.00 -0.34 0.00 0.00 42.92 43.08 3drx s ASP 85 CO 0.15 -1.88 1.88 -0.33 0.68 0.00 0.00 175.17 175.68 3drx h GLU 86 N -0.59 0.29 0.00 2.11 3.07 -2.02 0.60 114.58 118.04 3drx h GLU 86 Ca -0.38 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 3drx h GLU 86 Cb 1.27 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.14 3drx h GLU 86 CO 0.42 0.43 0.00 0.25 -1.40 0.00 0.00 179.01 178.71 3drx n THR 87 N -4.25 0.20 -0.66 1.13 -2.24 -1.26 -4.85 114.28 102.36 3drx n THR 87 Ca -0.00 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 3drx n THR 87 Cb 0.29 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 3drx n THR 87 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3drx n GLY 88 N -0.05 0.76 3.75 3.38 0.00 0.21 -5.04 105.19 108.20 3drx n GLY 88 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3drx n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3drx s ALA 89 N -2.72 3.43 0.27 4.61 0.00 -1.24 -4.69 121.76 121.42 3drx s ALA 89 Ca 0.00 0.96 -0.29 0.00 0.00 0.00 0.00 51.96 52.63 3drx s ALA 89 Cb 0.00 -3.37 -0.09 0.00 0.00 0.00 0.00 23.12 19.66 3drx s ALA 89 CO 0.00 -0.28 1.19 0.71 0.00 0.00 0.00 175.76 177.38 3drx s TYR 90 N -0.87 3.38 -0.20 0.00 2.02 -0.57 -0.47 117.35 120.64 3drx s TYR 90 Ca 0.47 1.53 -0.17 0.00 -0.37 0.00 0.00 57.07 58.54 3drx s TYR 90 Cb -0.33 -3.45 -0.04 0.00 -0.40 0.00 0.00 41.96 37.74 3drx s TYR 90 CO 0.42 -1.14 0.44 -0.51 -1.57 0.00 0.00 175.55 173.19 3drx s LEU 91 N -1.23 4.16 -0.08 -1.29 1.43 -0.84 0.29 118.68 121.12 3drx s LEU 91 Ca 0.48 0.58 0.03 0.00 -1.03 0.00 0.00 54.13 54.19 3drx s LEU 91 Cb -0.35 -2.59 0.01 0.00 0.03 0.00 0.00 46.19 43.29 3drx s LEU 91 CO 0.43 -0.11 -0.17 -0.63 0.23 0.00 0.00 176.35 176.10 3drx s ILE 92 N 1.40 1.49 -1.31 -0.59 1.01 -0.73 -4.94 121.20 117.54 3drx s ILE 92 Ca 0.21 -0.69 -0.08 0.00 0.00 0.00 0.00 60.65 60.08 3drx s ILE 92 Cb -0.15 -1.32 0.14 0.00 0.01 0.00 0.00 42.46 41.14 3drx s ILE 92 CO 0.09 0.43 2.06 -0.67 0.00 0.00 0.00 174.94 176.85 3drx n ASP 93 N 3.67 5.93 -4.03 3.58 2.03 -1.26 0.24 116.55 126.70 3drx n ASP 93 Ca -0.21 -3.09 -0.08 0.00 0.52 0.00 0.00 54.79 51.92 3drx n ASP 93 Cb 0.52 -1.46 -0.09 0.00 -0.72 0.00 0.00 41.12 39.38 3drx n ASP 93 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3drx s ARG 94 N 0.13 0.83 -0.11 -0.67 1.81 -1.26 -4.91 118.95 114.77 3drx s ARG 94 Ca 0.44 -1.21 -0.29 0.00 -1.72 0.00 0.00 55.73 52.95 3drx s ARG 94 Cb 0.12 0.27 -0.04 0.00 -0.45 0.00 0.00 34.95 34.86 3drx s ARG 94 CO -0.03 -0.23 1.54 0.34 -0.68 0.00 0.00 175.30 176.24 3drx s ASP 95 N -2.95 6.70 0.42 0.23 -1.08 -1.26 -2.05 116.67 116.68 3drx s ASP 95 Ca 0.13 1.98 0.23 0.00 -0.52 0.00 0.00 52.55 54.37 3drx s ASP 95 Cb 0.06 -2.53 0.65 0.00 -1.46 0.00 0.00 42.92 39.64 3drx s ASP 95 CO -0.06 -0.93 1.71 1.55 0.52 0.00 0.00 175.17 177.96 3drx h PRO 96 N 9.36 0.00 0.00 4.34 0.13 -1.88 -3.19 132.00 140.76 3drx h PRO 96 Ca -0.35 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.76 3drx h PRO 96 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 3drx h PRO 96 CO 0.97 0.20 -0.13 1.79 -0.23 0.00 0.00 178.00 180.60 3drx h THR 97 N 0.00 0.44 -0.29 1.56 1.35 -1.92 -0.42 112.91 113.63 3drx h THR 97 Ca -0.00 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 3drx h THR 97 Cb 0.92 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 3drx h THR 97 CO 0.03 0.13 0.00 -1.22 -0.25 0.00 0.00 175.52 174.20 3drx n TYR 98 N -3.44 0.37 0.04 4.73 4.02 -1.20 -4.33 117.16 117.34 3drx n TYR 98 Ca -0.01 -0.18 -0.18 0.00 -0.01 0.00 0.00 57.90 57.51 3drx n TYR 98 Cb 0.30 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.47 3drx n TYR 98 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 176.86 176.20 3drx h PHE 99 N 4.01 0.46 -0.61 -0.72 -0.00 -1.18 -3.38 116.94 115.53 3drx h PHE 99 Ca 0.00 -0.34 0.06 0.00 -0.00 0.00 0.00 57.97 57.69 3drx h PHE 99 Cb 0.88 -0.02 -0.09 0.00 -0.00 0.00 0.00 35.95 36.72 3drx h PHE 99 CO 0.18 1.53 -0.48 0.78 -0.00 0.00 0.00 178.31 180.32 3drx h GLY 100 N 1.53 -1.16 0.79 2.40 0.00 -1.75 0.30 103.07 105.17 3drx h GLY 100 Ca -0.33 0.81 0.16 0.00 0.00 0.00 0.00 47.33 47.97 3drx h GLY 100 CO 0.13 -0.17 0.45 -2.55 0.00 0.00 0.00 176.54 174.39 3drx h PRO 101 N -0.15 0.15 0.55 4.80 0.11 -1.83 0.18 132.00 135.81 3drx h PRO 101 Ca 0.10 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.17 3drx h PRO 101 Cb 0.41 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 31.50 3drx h PRO 101 CO -0.65 0.10 -0.27 0.28 -0.21 0.00 0.00 178.00 177.25 3drx h VAL 102 N 0.15 0.00 -0.81 3.15 2.07 -0.69 -2.28 116.25 117.84 3drx h VAL 102 Ca 0.31 -0.45 0.19 0.00 0.82 0.00 0.00 66.70 67.56 3drx h VAL 102 Cb 1.01 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.66 3drx h VAL 102 CO -0.04 0.00 0.24 0.25 0.02 0.00 0.00 177.57 178.04 3drx h LEU 103 N -1.20 0.09 -1.58 2.57 5.85 0.19 0.18 115.31 121.42 3drx h LEU 103 Ca -0.08 0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 3drx h LEU 103 Cb 0.57 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 3drx h LEU 103 CO 0.13 -0.05 -0.19 0.78 -0.34 0.00 0.00 178.44 178.77 3drx h ASN 104 N 0.30 0.00 -0.34 1.25 2.35 -0.67 0.59 115.58 119.06 3drx h ASN 104 Ca 0.48 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.19 3drx h ASN 104 Cb 0.87 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.23 3drx h ASN 104 CO -0.55 0.19 0.05 0.22 -1.65 0.00 0.00 177.43 175.70 3drx h TYR 105 N 0.00 0.61 -0.18 1.19 3.20 -0.03 -1.85 116.97 119.91 3drx h TYR 105 Ca -0.00 -0.09 -0.00 0.00 3.14 0.00 0.00 58.73 61.78 3drx h TYR 105 Cb 0.51 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 3drx h TYR 105 CO 0.00 0.64 0.10 -0.07 -1.64 0.00 0.00 178.16 177.19 3drx h LEU 106 N 0.40 0.21 -0.17 2.82 3.38 -0.54 0.36 115.31 121.77 3drx h LEU 106 Ca 0.10 -0.01 -0.23 0.00 0.09 0.00 0.00 57.88 57.84 3drx h LEU 106 Cb 0.36 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.06 3drx h LEU 106 CO 0.01 0.17 -0.93 0.03 0.09 0.00 0.00 178.44 177.81 3drx h ARG 107 N 0.25 0.48 0.00 1.13 3.08 -0.77 -3.42 114.38 115.13 3drx h ARG 107 Ca 0.07 -0.50 0.00 0.00 0.07 0.00 0.00 59.98 59.62 3drx h ARG 107 Cb 0.00 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3drx h ARG 107 CO -0.01 1.14 0.00 -2.39 -1.07 0.00 0.00 179.97 177.64 3drx n HIS 108 N -3.79 0.00 -0.08 3.04 1.44 -0.74 -5.03 115.22 110.07 3drx n HIS 108 Ca -0.07 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.64 3drx n HIS 108 Cb 0.82 0.02 0.00 0.00 0.12 0.00 0.00 29.99 30.96 3drx n HIS 108 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3drx n GLY 109 N 0.00 2.32 3.86 -1.39 0.00 0.12 -4.99 105.19 105.11 3drx n GLY 109 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3drx n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3drx s LYS 110 N -0.02 3.74 -0.28 1.61 1.02 -1.26 -4.98 119.74 119.58 3drx s LYS 110 Ca 0.00 0.20 -0.19 0.00 0.02 0.00 0.00 55.97 56.00 3drx s LYS 110 Cb 0.00 -3.18 -0.02 0.00 -0.52 0.00 0.00 37.83 34.11 3drx s LYS 110 CO 0.00 0.70 0.56 -1.17 -0.92 0.00 0.00 175.35 174.51 3drx s LEU 111 N -1.21 4.10 -0.16 3.17 2.96 -1.26 -3.95 118.68 122.33 3drx s LEU 111 Ca 0.23 0.48 -0.02 0.00 -0.22 0.00 0.00 54.13 54.60 3drx s LEU 111 Cb -0.15 -2.71 0.05 0.00 0.50 0.00 0.00 46.19 43.87 3drx s LEU 111 CO 0.12 -0.36 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.09 3drx s VAL 112 N 2.41 0.72 -0.06 1.68 1.01 -1.26 -5.12 120.40 119.77 3drx s VAL 112 Ca 0.22 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 61.82 3drx s VAL 112 Cb -0.15 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 3drx s VAL 112 CO 0.10 0.02 -0.23 -0.63 0.00 0.00 0.00 175.10 174.36 3drx s ILE 113 N 1.79 2.21 0.43 2.22 1.01 -1.26 -4.66 121.20 122.95 3drx s ILE 113 Ca 0.01 -1.01 -0.23 0.00 0.00 0.00 0.00 60.65 59.42 3drx s ILE 113 Cb -0.15 -1.82 -0.08 0.00 0.01 0.00 0.00 42.46 40.41 3drx s ILE 113 CO -0.07 0.57 1.08 0.20 0.00 0.00 0.00 174.94 176.71 3drx s ASN 114 N -0.16 6.55 0.59 3.58 0.01 -1.26 -4.92 114.94 119.33 3drx s ASN 114 Ca -0.03 2.09 0.29 0.00 -0.71 0.00 0.00 52.86 54.49 3drx s ASN 114 Cb -0.14 -2.59 1.70 0.00 0.41 0.00 0.00 41.25 40.64 3drx s ASN 114 CO 0.04 -0.64 2.15 0.11 -1.51 0.00 0.00 177.10 177.24 3drx h LYS 115 N 2.24 0.00 -0.56 -0.60 1.57 -2.05 -0.43 116.57 116.74 3drx h LYS 115 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3drx h LYS 115 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3drx h LYS 115 CO 0.61 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.09 3drx n ASP 116 N -3.83 3.13 -4.44 0.86 3.85 -1.26 -4.93 116.55 109.94 3drx n ASP 116 Ca 0.00 -2.14 -0.33 0.00 -0.71 0.00 0.00 54.79 51.62 3drx n ASP 116 Cb 0.25 -0.41 -0.14 0.00 -1.35 0.00 0.00 41.12 39.48 3drx n ASP 116 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.20 175.97 3drx s LEU 117 N -1.20 2.67 -0.23 -2.12 2.96 -0.17 -5.08 118.68 115.51 3drx s LEU 117 Ca 0.36 -0.25 -0.29 0.00 -0.22 0.00 0.00 54.13 53.73 3drx s LEU 117 Cb 0.21 -1.55 0.01 0.00 0.50 0.00 0.00 46.19 45.36 3drx s LEU 117 CO 0.21 0.31 1.10 0.00 -1.32 0.00 0.00 176.35 176.65 3drx s ALA 118 N -0.50 3.64 0.36 5.97 0.00 -1.26 -4.87 121.76 125.11 3drx s ALA 118 Ca 0.06 0.20 0.13 0.00 0.00 0.00 0.00 51.96 52.36 3drx s ALA 118 Cb -0.12 -3.59 0.73 0.00 0.00 0.00 0.00 23.12 20.14 3drx s ALA 118 CO 0.02 -1.17 1.83 1.05 0.00 0.00 0.00 175.76 177.48 3drx h GLU 119 N 7.78 0.00 -0.47 0.00 9.09 -1.98 -1.99 114.58 127.01 3drx h GLU 119 Ca -0.21 0.00 0.10 0.00 0.05 0.00 0.00 59.36 59.30 3drx h GLU 119 Cb 1.07 0.00 -0.10 0.00 -1.65 0.00 0.00 28.75 28.08 3drx h GLU 119 CO 0.99 0.37 -0.17 0.93 0.05 0.00 0.00 179.01 181.18 3drx h GLU 120 N 0.00 -0.06 -0.62 1.06 3.07 -1.97 0.67 114.58 116.72 3drx h GLU 120 Ca -0.00 0.00 0.09 0.00 -0.50 0.00 0.00 59.36 58.95 3drx h GLU 120 Cb 0.67 0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 28.52 3drx h GLU 120 CO 0.05 -0.04 0.25 0.78 -1.40 0.00 0.00 179.01 178.65 3drx h GLY 121 N -0.06 0.88 1.26 -3.84 0.00 -1.77 -1.98 103.07 97.56 3drx h GLY 121 Ca 0.23 -0.14 -0.11 0.00 0.00 0.00 0.00 47.33 47.30 3drx h GLY 121 CO -0.52 0.00 -0.18 -2.08 0.00 0.00 0.00 176.54 173.75 3drx h VAL 122 N 0.44 1.27 -0.68 4.60 2.07 -0.84 -2.14 116.25 120.97 3drx h VAL 122 Ca 0.31 -1.31 0.05 0.00 0.82 0.00 0.00 66.70 66.57 3drx h VAL 122 Cb 0.36 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 3drx h VAL 122 CO -0.29 0.44 0.45 0.25 0.02 0.00 0.00 177.57 178.44 3drx h LEU 123 N 0.75 0.67 -0.69 2.57 5.85 0.95 -0.33 115.31 125.08 3drx h LEU 123 Ca 0.11 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.74 3drx h LEU 123 Cb 0.71 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 3drx h LEU 123 CO 0.05 0.45 0.03 -0.33 -0.34 0.00 0.00 178.44 178.30 3drx h GLU 124 N 0.77 1.04 -0.11 1.25 4.39 -0.72 -2.12 114.58 119.08 3drx h GLU 124 Ca 0.28 -0.31 -0.22 0.00 0.34 0.00 0.00 59.36 59.45 3drx h GLU 124 Cb 0.15 -0.11 0.01 0.00 -0.10 0.00 0.00 28.75 28.71 3drx h GLU 124 CO -0.08 1.00 -0.81 0.93 -1.16 0.00 0.00 179.01 178.89 3drx h GLU 125 N 0.96 0.74 -0.80 2.33 4.39 -1.20 -0.66 114.58 120.34 3drx h GLU 125 Ca 0.18 -0.65 0.18 0.00 0.34 0.00 0.00 59.36 59.41 3drx h GLU 125 Cb 0.51 0.15 -0.11 0.00 -0.10 0.00 0.00 28.75 29.20 3drx h GLU 125 CO 0.02 1.25 0.26 0.00 -1.16 0.00 0.00 179.01 179.38 3drx h ALA 126 N 0.50 1.12 0.19 3.43 0.00 -0.94 -0.15 119.26 123.40 3drx h ALA 126 Ca -0.07 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3drx h ALA 126 Cb 1.45 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.44 3drx h ALA 126 CO 0.16 -0.33 -0.09 0.93 0.00 0.00 0.00 179.25 179.93 3drx h GLU 127 N 0.32 -0.24 -0.94 0.00 5.08 -1.26 -0.95 114.58 116.59 3drx h GLU 127 Ca 0.47 0.02 0.17 0.00 -1.00 0.00 0.00 59.36 59.01 3drx h GLU 127 Cb 0.82 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 30.05 3drx h GLU 127 CO -0.52 0.16 0.60 0.35 -1.00 0.00 0.00 179.01 178.60 3drx h PHE 128 N -0.88 0.84 -0.01 4.33 3.57 -0.77 1.24 116.94 125.27 3drx h PHE 128 Ca -0.03 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3drx h PHE 128 Cb 0.51 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.99 3drx h PHE 128 CO 0.07 0.26 -0.16 0.66 -2.23 0.00 0.00 178.31 176.91 3drx n TYR 129 N -4.61 0.00 -3.24 0.41 4.02 -0.10 -4.91 117.16 108.73 3drx n TYR 129 Ca 0.20 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.95 3drx n TYR 129 Cb 0.55 -0.10 0.01 0.00 -0.02 0.00 0.00 39.34 39.77 3drx n TYR 129 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3drx n ASN 130 N -0.54 -6.81 -3.76 7.72 2.85 0.43 -3.84 115.26 111.30 3drx n ASN 130 Ca 0.15 -0.13 -0.28 0.00 -0.11 0.00 0.00 54.58 54.20 3drx n ASN 130 Cb 0.33 -3.93 -0.12 0.00 1.24 0.00 0.00 39.78 37.30 3drx n ASN 130 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3drx s ILE 131 N -2.64 2.00 0.28 -1.44 1.01 -0.61 -3.77 121.20 116.02 3drx s ILE 131 Ca 0.13 -3.43 0.01 0.00 0.00 0.00 0.00 60.65 57.36 3drx s ILE 131 Cb -0.02 -2.35 0.26 0.00 0.01 0.00 0.00 42.46 40.36 3drx s ILE 131 CO 0.81 -1.00 1.77 0.71 0.00 0.00 0.00 174.94 177.23 3drx h THR 132 N 4.78 0.74 -0.93 2.92 1.35 -1.93 0.12 112.91 119.96 3drx h THR 132 Ca 0.10 -0.24 0.03 0.00 -0.55 0.00 0.00 66.41 65.75 3drx h THR 132 Cb 0.84 -0.03 -0.05 0.00 -1.73 0.00 0.00 68.15 67.18 3drx h THR 132 CO 0.59 0.13 0.61 0.77 -0.25 0.00 0.00 175.52 177.37 3drx h SER 133 N 0.71 1.02 0.23 5.36 4.64 -1.98 -1.57 113.55 121.95 3drx h SER 133 Ca 0.50 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.80 3drx h SER 133 Cb 0.71 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3drx h SER 133 CO -0.36 0.70 -0.11 0.25 -0.87 0.00 0.00 176.83 176.44 3drx h LEU 134 N 1.18 -0.26 -0.93 5.97 5.85 -1.22 -2.87 115.31 123.04 3drx h LEU 134 Ca 0.37 -0.22 0.22 0.00 0.84 0.00 0.00 57.88 59.09 3drx h LEU 134 Cb -0.00 0.07 -0.17 0.00 0.37 0.00 0.00 40.66 40.92 3drx h LEU 134 CO -0.11 0.26 -0.09 -0.38 -0.34 0.00 0.00 178.44 177.78 3drx n ILE 135 N -4.98 -0.39 0.09 4.05 5.41 -0.49 -0.12 119.36 122.93 3drx n ILE 135 Ca -0.07 2.07 -0.14 0.00 1.00 0.00 0.00 62.75 65.62 3drx n ILE 135 Cb 0.23 -2.96 -0.07 0.00 -0.71 0.00 0.00 39.64 36.14 3drx n ILE 135 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 3drx h LYS 136 N 0.00 -0.58 -0.54 0.38 3.64 -1.27 -1.62 116.57 116.58 3drx h LYS 136 Ca 0.51 0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.94 3drx h LYS 136 Cb 0.95 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.87 3drx h LYS 136 CO -0.91 -0.39 0.35 -0.07 -2.27 0.00 0.00 179.45 176.16 3drx h LEU 137 N -0.60 0.59 -0.32 5.20 3.38 -0.29 -2.95 115.31 120.32 3drx h LEU 137 Ca 0.04 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.05 3drx h LEU 137 Cb 0.65 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 3drx h LEU 137 CO -0.27 0.42 -0.02 0.58 0.09 0.00 0.00 178.44 179.24 3drx h VAL 138 N 0.70 0.74 -0.60 1.22 2.07 -0.25 -1.00 116.25 119.13 3drx h VAL 138 Ca 0.20 -0.02 0.07 0.00 0.82 0.00 0.00 66.70 67.77 3drx h VAL 138 Cb -0.05 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 3drx h VAL 138 CO -0.06 0.01 0.40 0.11 0.02 0.00 0.00 177.57 178.05 3drx h LYS 139 N 0.06 0.54 -0.52 1.57 1.57 -1.14 -0.95 116.57 117.70 3drx h LYS 139 Ca 0.15 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.78 3drx h LYS 139 Cb 0.22 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 3drx h LYS 139 CO -0.28 0.36 -0.14 -0.44 -0.57 0.00 0.00 179.45 178.37 3drx h ASP 140 N 0.56 1.01 -0.23 0.86 3.32 -1.09 -2.59 116.42 118.27 3drx h ASP 140 Ca 0.26 -0.35 0.06 0.00 0.02 0.00 0.00 57.03 57.02 3drx h ASP 140 Cb 0.32 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3drx h ASP 140 CO -0.08 1.14 0.16 0.50 -1.72 0.00 0.00 179.24 179.25 3drx h LYS 141 N 0.88 0.04 0.07 3.56 1.63 -0.25 0.11 116.57 122.61 3drx h LYS 141 Ca 0.13 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.92 3drx h LYS 141 Cb 0.71 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.33 3drx h LYS 141 CO 0.05 0.03 -0.03 0.82 -3.45 0.00 0.00 179.45 176.87 3drx h ILE 142 N 0.05 0.55 -0.32 2.00 2.04 -1.12 -2.86 117.51 117.85 3drx h ILE 142 Ca 0.11 -1.29 -0.03 0.00 1.00 0.00 0.00 64.86 64.65 3drx h ILE 142 Cb 0.36 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 3drx h ILE 142 CO -0.01 0.18 0.08 0.03 0.00 0.00 0.00 178.15 178.43 3drx h ARG 143 N -0.99 0.46 -0.75 2.37 3.08 -1.39 0.17 114.38 117.32 3drx h ARG 143 Ca -0.01 -0.07 0.04 0.00 0.07 0.00 0.00 59.98 60.02 3drx h ARG 143 Cb 0.36 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.27 3drx h ARG 143 CO 0.02 0.42 0.46 1.49 -1.07 0.00 0.00 179.97 181.29 3drx h GLU 144 N 0.45 0.84 -0.02 0.04 4.81 -0.88 -1.86 114.58 117.96 3drx h GLU 144 Ca 0.11 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3drx h GLU 144 Cb 0.17 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.36 3drx h GLU 144 CO -0.00 0.56 -0.11 2.89 -0.73 0.00 0.00 179.01 181.62 3drx n ARG 145 N -4.67 1.60 -0.03 1.92 -4.01 -0.73 -3.67 116.66 107.07 3drx n ARG 145 Ca 0.09 -1.10 -0.22 0.00 -1.04 0.00 0.00 57.85 55.59 3drx n ARG 145 Cb 0.13 -1.48 -0.13 0.00 -3.04 0.00 0.00 32.46 27.94 3drx n ARG 145 CO 0.00 0.00 0.00 -0.25 -3.04 0.00 0.00 177.63 174.34 3drx n ASP 146 N 0.26 2.06 0.24 2.89 10.43 0.51 -2.92 116.55 130.02 3drx n ASP 146 Ca 0.15 0.25 0.16 0.00 2.57 0.00 0.00 54.79 57.92 3drx n ASP 146 Cb 0.42 -0.88 0.61 0.00 1.84 0.00 0.00 41.12 43.12 3drx n ASP 146 CO 0.00 0.00 0.00 0.77 -1.07 0.00 0.00 177.20 176.90 3drx h SER 147 N -0.20 0.00 0.05 -2.24 4.64 -1.52 -2.39 113.55 111.89 3drx h SER 147 Ca -0.42 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3drx h SER 147 Cb 1.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.94 3drx h SER 147 CO 0.00 0.00 -0.03 0.50 -0.87 0.00 0.00 176.83 176.44 3drx h LYS 148 N 0.00 -0.07 0.42 4.77 3.64 -1.68 -3.39 116.57 120.25 3drx h LYS 148 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 3drx h LYS 148 Cb 0.52 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3drx h LYS 148 CO 0.00 0.46 -0.20 1.15 -2.27 0.00 0.00 179.45 178.59 3drx h THR 149 N -0.66 0.00 -3.57 1.00 2.02 -1.37 -3.44 112.91 106.89 3drx h THR 149 Ca -0.01 -0.09 -0.62 0.00 0.77 0.00 0.00 66.41 66.47 3drx h THR 149 Cb 0.57 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.86 3drx h THR 149 CO 0.01 0.00 0.39 -0.44 0.37 0.00 0.00 175.52 175.85 3drx s SER 150 N -3.23 6.50 -0.30 4.18 0.01 -0.92 -4.98 113.70 114.97 3drx s SER 150 Ca -0.08 0.19 -0.16 0.00 1.31 0.00 0.00 55.95 57.21 3drx s SER 150 Cb 0.01 -2.40 0.18 0.00 0.21 0.00 0.00 66.02 64.02 3drx s SER 150 CO 0.25 -0.82 1.14 -1.58 0.41 0.00 0.00 173.24 172.64 3drx s GLN 151 N 3.22 0.18 0.45 12.44 -0.44 -1.26 -4.84 119.66 129.41 3drx s GLN 151 Ca 0.31 0.32 -0.24 0.00 -2.50 0.00 0.00 55.36 53.25 3drx s GLN 151 Cb -0.13 0.05 -0.08 0.00 -1.64 0.00 0.00 33.01 31.22 3drx s GLN 151 CO 0.20 -0.04 1.28 0.08 0.50 0.00 0.00 175.29 177.31 3drx s VAL 152 N 1.25 2.62 0.07 1.34 1.01 -1.26 -4.87 120.40 120.55 3drx s VAL 152 Ca -0.08 0.51 -0.04 0.00 0.00 0.00 0.00 61.98 62.37 3drx s VAL 152 Cb -0.03 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 3drx s VAL 152 CO -0.12 0.04 0.02 -2.65 0.00 0.00 0.00 175.10 172.38 3drx n PRO 153 N -0.28 0.00 -1.46 2.72 -0.02 -1.26 -4.67 135.00 130.03 3drx n PRO 153 Ca 0.06 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.12 3drx n PRO 153 Cb 0.45 -0.17 0.00 0.00 -0.02 0.00 0.00 33.50 33.76 3drx n PRO 153 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3drx n VAL 154 N -0.17 1.78 -2.99 -1.45 0.24 -1.26 -4.94 118.33 109.54 3drx n VAL 154 Ca 0.02 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.34 61.43 3drx n VAL 154 Cb 0.07 -0.54 -0.06 0.00 -1.47 0.00 0.00 33.84 31.84 3drx n VAL 154 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3drx s LYS 155 N -1.53 4.56 -0.01 7.34 2.36 -1.25 -4.92 119.74 126.29 3drx s LYS 155 Ca 0.63 1.15 0.04 0.00 -2.55 0.00 0.00 55.97 55.24 3drx s LYS 155 Cb -0.63 -3.26 -0.03 0.00 -1.05 0.00 0.00 37.83 32.85 3drx s LYS 155 CO 0.58 0.56 -0.13 -1.01 1.55 0.00 0.00 175.35 176.90 3drx s HIS 156 N -1.11 2.71 0.03 4.03 3.76 -1.26 -0.99 115.29 122.47 3drx s HIS 156 Ca 0.36 -0.15 0.06 0.00 -0.15 0.00 0.00 55.06 55.17 3drx s HIS 156 Cb -0.23 -1.58 -0.03 0.00 1.11 0.00 0.00 32.58 31.85 3drx s HIS 156 CO 0.26 0.26 -0.13 0.08 -0.85 0.00 0.00 174.74 174.36 3drx s VAL 157 N -0.86 3.15 -0.03 -0.90 1.01 -1.00 -4.98 120.40 116.79 3drx s VAL 157 Ca 0.14 -1.04 0.04 0.00 0.00 0.00 0.00 61.98 61.12 3drx s VAL 157 Cb -0.11 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 3drx s VAL 157 CO 0.04 0.34 -0.16 -0.31 0.00 0.00 0.00 175.10 175.01 3drx s TYR 158 N -0.97 1.51 0.12 5.22 2.02 -1.26 -1.99 117.35 122.00 3drx s TYR 158 Ca 0.16 -0.36 0.09 0.00 -0.37 0.00 0.00 57.07 56.60 3drx s TYR 158 Cb -0.11 -1.00 -0.04 0.00 -0.40 0.00 0.00 41.96 40.41 3drx s TYR 158 CO 0.07 -0.09 -0.20 1.03 -1.57 0.00 0.00 175.55 174.78 3drx s ARG 159 N -0.15 1.68 -0.22 -0.62 1.81 -0.03 -4.99 118.95 116.43 3drx s ARG 159 Ca 0.01 -1.22 -0.01 0.00 -1.72 0.00 0.00 55.73 52.78 3drx s ARG 159 Cb -0.09 -2.06 0.02 0.00 -0.45 0.00 0.00 34.95 32.37 3drx s ARG 159 CO 0.01 0.47 -0.09 0.08 -0.68 0.00 0.00 175.30 175.09 3drx s VAL 160 N -1.12 2.79 0.22 3.52 1.01 -1.26 -1.09 120.40 124.46 3drx s VAL 160 Ca 0.17 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.31 3drx s VAL 160 Cb -0.10 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 3drx s VAL 160 CO 0.09 0.34 0.35 -0.76 0.00 0.00 0.00 175.10 175.11 3drx s LEU 161 N 1.35 4.31 0.00 3.92 1.02 0.64 -4.93 118.68 125.00 3drx s LEU 161 Ca 0.03 0.13 -0.07 0.00 0.02 0.00 0.00 54.13 54.24 3drx s LEU 161 Cb -0.15 -2.91 0.00 0.00 0.02 0.00 0.00 46.19 43.15 3drx s LEU 161 CO -0.06 -0.04 0.14 0.00 0.02 0.00 0.00 176.35 176.40 3drx s GLN 162 N -3.74 0.48 0.02 1.70 -2.07 -1.26 -0.19 119.66 114.61 3drx s GLN 162 Ca 0.35 -0.40 -0.27 0.00 -1.82 0.00 0.00 55.36 53.22 3drx s GLN 162 Cb -0.10 0.20 0.07 0.00 -1.09 0.00 0.00 33.01 32.09 3drx s GLN 162 CO 0.29 -0.11 0.62 0.00 -1.32 0.00 0.00 175.29 174.77 3drx s GLN 164 N -2.09 1.40 0.31 0.00 -1.52 -1.26 -1.22 119.66 115.27 3drx s GLN 164 Ca -0.07 1.24 0.01 0.00 -1.95 0.00 0.00 55.36 54.59 3drx s GLN 164 Cb -0.00 -1.79 0.49 0.00 -0.22 0.00 0.00 33.01 31.49 3drx s GLN 164 CO 0.02 -2.27 1.86 1.05 -0.25 0.00 0.00 175.29 175.70 3drx h GLU 165 N -1.59 0.73 0.00 2.91 4.11 -1.93 -2.30 114.58 116.51 3drx h GLU 165 Ca -0.45 -0.14 0.00 0.00 0.07 0.00 0.00 59.36 58.84 3drx h GLU 165 Cb 1.26 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3drx h GLU 165 CO 0.48 0.66 0.00 -0.85 0.07 0.00 0.00 179.01 179.37 3drx n GLU 166 N -4.30 0.01 -0.14 1.06 0.28 -1.26 -1.59 120.64 114.70 3drx n GLU 166 Ca 0.03 0.30 0.05 0.00 -0.16 0.00 0.00 57.16 57.39 3drx n GLU 166 Cb 0.21 -1.52 0.13 0.00 1.43 0.00 0.00 31.44 31.69 3drx n GLU 166 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 3drx n GLU 167 N -1.55 2.44 0.29 3.44 0.28 -0.87 -4.73 120.64 119.94 3drx n GLU 167 Ca 0.03 -1.88 -0.18 0.00 -0.16 0.00 0.00 57.16 54.97 3drx n GLU 167 Cb 0.15 -1.25 -0.10 0.00 1.43 0.00 0.00 31.44 31.67 3drx n GLU 167 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 3drx h LEU 168 N 2.02 -1.33 -0.53 -1.84 6.46 -1.27 -0.85 115.31 117.97 3drx h LEU 168 Ca 0.00 0.11 0.08 0.00 -0.12 0.00 0.00 57.88 57.94 3drx h LEU 168 Cb 0.68 0.44 -0.10 0.00 -0.73 0.00 0.00 40.66 40.95 3drx h LEU 168 CO 0.00 -0.65 -0.47 0.74 -0.62 0.00 0.00 178.44 177.44 3drx h THR 169 N -0.99 0.07 -0.18 1.05 2.02 -1.85 -2.05 112.91 110.99 3drx h THR 169 Ca -0.06 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.15 3drx h THR 169 Cb 0.86 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 3drx h THR 169 CO -0.06 0.00 0.01 -0.61 0.37 0.00 0.00 175.52 175.23 3drx h GLN 170 N -0.28 0.07 -0.80 6.66 4.15 -1.86 -1.16 115.11 121.89 3drx h GLN 170 Ca 0.15 -0.00 0.19 0.00 0.77 0.00 0.00 58.65 59.76 3drx h GLN 170 Cb 0.57 -0.02 -0.13 0.00 0.21 0.00 0.00 27.48 28.12 3drx h GLN 170 CO -0.66 0.05 0.19 1.98 -1.93 0.00 0.00 178.83 178.46 3drx h MET 171 N 0.07 0.23 0.16 1.69 4.05 -0.44 -0.79 114.93 119.91 3drx h MET 171 Ca 0.08 -0.01 -0.34 0.00 -0.28 0.00 0.00 59.70 59.15 3drx h MET 171 Cb 0.09 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 30.84 3drx h MET 171 CO -0.13 0.15 -1.69 -0.39 0.23 0.00 0.00 176.91 175.08 3drx h VAL 172 N 0.24 0.99 0.00 -5.77 -1.51 -1.15 -3.32 116.25 105.73 3drx h VAL 172 Ca 0.47 -2.60 0.00 0.00 -1.23 0.00 0.00 66.70 63.34 3drx h VAL 172 Cb 0.88 2.74 0.00 0.00 -2.13 0.00 0.00 31.29 32.78 3drx h VAL 172 CO -0.58 0.84 0.00 -1.20 -1.23 0.00 0.00 177.57 175.39 3drx n SER 173 N -3.52 0.71 -1.13 4.19 7.64 -0.47 -2.21 113.62 118.83 3drx n SER 173 Ca -0.22 0.66 0.01 0.00 1.01 0.00 0.00 58.87 60.34 3drx n SER 173 Cb 1.06 -0.82 0.24 0.00 -1.01 0.00 0.00 64.21 63.68 3drx n SER 173 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3drx n THR 174 N -2.27 2.48 -1.67 0.44 -2.24 -0.34 -5.01 114.28 105.66 3drx n THR 174 Ca 0.02 -2.20 -0.48 0.00 -2.27 0.00 0.00 64.05 59.12 3drx n THR 174 Cb 0.25 -0.30 -0.05 0.00 -2.10 0.00 0.00 70.33 68.13 3drx n THR 174 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 3drx n MET 175 N -0.76 1.99 -0.85 -0.78 1.56 -0.94 -4.89 117.12 112.45 3drx n MET 175 Ca 0.29 0.72 -0.33 0.00 -0.27 0.00 0.00 57.70 58.11 3drx n MET 175 Cb 1.02 -2.50 0.11 0.00 2.15 0.00 0.00 33.22 34.00 3drx n MET 175 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 3drx n SER 176 N 4.56 -2.43 -0.15 6.12 2.88 -1.26 -4.89 113.62 118.45 3drx n SER 176 Ca 0.20 0.33 -0.11 0.00 -1.33 0.00 0.00 58.87 57.96 3drx n SER 176 Cb 0.27 -1.16 -0.06 0.00 -0.75 0.00 0.00 64.21 62.51 3drx n SER 176 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 3drx h ASP 177 N -1.43 -1.59 1.74 -3.46 -0.00 -2.04 -3.07 116.42 106.57 3drx h ASP 177 Ca -0.44 0.23 -0.00 0.00 -0.00 0.00 0.00 57.03 56.83 3drx h ASP 177 Cb 1.29 0.69 -0.00 0.00 -0.00 0.00 0.00 39.33 41.30 3drx h ASP 177 CO 0.34 -0.37 -0.26 1.23 -0.00 0.00 0.00 179.24 180.17 3drx h GLY 178 N -0.32 0.00 -1.91 -0.78 0.00 -1.96 -3.48 103.07 94.61 3drx h GLY 178 Ca 0.13 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 47.00 3drx h GLY 178 CO -0.62 0.00 0.36 -0.98 0.00 0.00 0.00 176.54 175.30 3drx s TRP 179 N -3.24 3.32 -0.11 5.60 0.52 -1.16 -4.75 118.94 119.12 3drx s TRP 179 Ca 0.05 1.54 -0.01 0.00 0.02 0.00 0.00 56.10 57.70 3drx s TRP 179 Cb 0.06 -2.85 -0.03 0.00 -1.15 0.00 0.00 33.47 29.50 3drx s TRP 179 CO 0.70 -0.34 -0.07 0.15 0.02 0.00 0.00 176.95 177.41 3drx s LYS 180 N -3.61 3.16 0.09 4.98 -0.14 0.26 -4.90 119.74 119.58 3drx s LYS 180 Ca 0.61 -0.56 -0.31 0.00 -1.36 0.00 0.00 55.97 54.35 3drx s LYS 180 Cb -0.10 -2.71 -0.08 0.00 -1.68 0.00 0.00 37.83 33.26 3drx s LYS 180 CO 0.23 0.45 1.50 0.12 -0.76 0.00 0.00 175.35 176.89 3drx s PHE 181 N -0.23 2.91 -0.16 3.18 5.36 -1.26 -0.04 117.98 127.75 3drx s PHE 181 Ca 0.03 0.69 -0.02 0.00 -0.96 0.00 0.00 56.93 56.67 3drx s PHE 181 Cb -0.13 -3.80 -0.09 0.00 -0.34 0.00 0.00 43.02 38.66 3drx s PHE 181 CO 0.03 -3.00 -0.16 0.39 -1.46 0.00 0.00 175.22 171.01 3drx n GLU 182 N 4.67 0.37 -3.64 10.12 -0.58 -0.59 -4.89 120.64 126.10 3drx n GLU 182 Ca 0.13 0.11 -0.05 0.00 -0.42 0.00 0.00 57.16 56.93 3drx n GLU 182 Cb 0.41 -1.23 -0.07 0.00 -0.57 0.00 0.00 31.44 29.98 3drx n GLU 182 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3drx s GLN 183 N -2.30 0.26 -0.13 3.49 0.74 -0.91 -4.98 119.66 115.83 3drx s GLN 183 Ca -0.21 0.32 -0.03 0.00 0.05 0.00 0.00 55.36 55.49 3drx s GLN 183 Cb 0.06 0.12 -0.03 0.00 1.10 0.00 0.00 33.01 34.26 3drx s GLN 183 CO 0.33 -0.03 -0.01 -1.17 -0.55 0.00 0.00 175.29 173.86 3drx s LEU 184 N 0.23 3.45 0.03 3.68 2.96 -1.26 0.12 118.68 127.89 3drx s LEU 184 Ca 0.04 0.01 0.05 0.00 -0.22 0.00 0.00 54.13 54.00 3drx s LEU 184 Cb -0.05 -1.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.80 3drx s LEU 184 CO -0.11 0.25 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.34 3drx s VAL 185 N -0.14 1.14 -0.11 1.68 1.01 0.55 -4.99 120.40 119.53 3drx s VAL 185 Ca 0.04 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.01 3drx s VAL 185 Cb -0.13 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 3drx s VAL 185 CO 0.02 0.05 0.09 -0.55 0.00 0.00 0.00 175.10 174.71 3drx s SER 186 N -1.03 5.94 0.00 3.32 0.15 -1.26 -0.65 113.70 120.17 3drx s SER 186 Ca 0.02 0.33 0.00 0.00 0.70 0.00 0.00 55.95 57.01 3drx s SER 186 Cb -0.08 -1.85 0.00 0.00 -1.71 0.00 0.00 66.02 62.38 3drx s SER 186 CO 0.01 0.39 0.00 -0.38 1.20 0.00 0.00 173.24 174.46 3drx n ILE 187 N 2.12 0.00 0.00 6.45 2.08 0.14 -4.94 119.36 125.21 3drx n ILE 187 Ca -0.19 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.12 3drx n ILE 187 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.43 3drx n ILE 187 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3drx n GLY 188 N 5.00 -0.90 2.07 7.39 0.00 -1.26 -4.98 105.19 112.51 3drx n GLY 188 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.61 3drx n GLY 188 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3drx n SER 189 N -0.78 -1.38 0.06 1.61 2.88 -1.26 -5.12 113.62 109.63 3drx n SER 189 Ca 0.00 0.59 -0.23 0.00 -1.33 0.00 0.00 58.87 57.90 3drx n SER 189 Cb 0.00 1.45 -0.15 0.00 -0.75 0.00 0.00 64.21 64.76 3drx n SER 189 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 3drx h GLU 196 N 0.00 0.36 -0.07 -1.46 5.08 -2.10 -3.54 114.58 112.85 3drx h GLU 196 Ca 0.00 -0.62 0.00 0.00 -1.00 0.00 0.00 59.36 57.74 3drx h GLU 196 Cb 0.00 0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3drx h GLU 196 CO 0.00 1.30 0.00 -0.25 -1.00 0.00 0.00 179.01 179.06 3drx n ASP 197 N -3.76 1.24 -4.63 1.42 8.00 -1.26 -4.95 116.55 112.61 3drx n ASP 197 Ca -0.23 -1.51 -0.53 0.00 0.71 0.00 0.00 54.79 53.23 3drx n ASP 197 Cb 1.01 -0.04 -0.06 0.00 -0.02 0.00 0.00 41.12 42.00 3drx n ASP 197 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 3drx n GLN 198 N -0.00 1.24 -2.50 -1.24 -0.06 -1.26 -4.84 117.38 108.72 3drx n GLN 198 Ca 0.18 0.45 -0.41 0.00 -2.00 0.00 0.00 57.00 55.22 3drx n GLN 198 Cb 0.29 -2.12 -0.03 0.00 -4.06 0.00 0.00 30.24 24.32 3drx n GLN 198 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3drx s ALA 199 N 1.51 2.69 0.04 1.69 0.00 -1.26 -4.72 121.76 121.72 3drx s ALA 199 Ca 0.88 -1.30 -0.20 0.00 0.00 0.00 0.00 51.96 51.34 3drx s ALA 199 Cb -0.96 -4.27 -0.14 0.00 0.00 0.00 0.00 23.12 17.75 3drx s ALA 199 CO 0.52 -3.35 1.35 0.93 0.00 0.00 0.00 175.76 175.20 3drx h GLU 200 N 10.53 0.35 -4.54 0.00 4.39 -1.84 -3.37 114.58 120.11 3drx h GLU 200 Ca -0.28 -0.18 -0.51 0.00 0.34 0.00 0.00 59.36 58.73 3drx h GLU 200 Cb 1.06 0.01 -0.33 0.00 -0.10 0.00 0.00 28.75 29.38 3drx h GLU 200 CO 1.27 0.73 -0.81 -0.06 -1.16 0.00 0.00 179.01 178.98 3drx s PHE 201 N -4.32 1.45 0.23 4.33 0.40 -0.36 0.28 117.98 119.99 3drx s PHE 201 Ca -0.14 -0.54 -0.02 0.00 -0.60 0.00 0.00 56.93 55.63 3drx s PHE 201 Cb 0.05 -1.07 -0.05 0.00 0.51 0.00 0.00 43.02 42.47 3drx s PHE 201 CO 0.75 -0.28 0.44 -0.51 0.70 0.00 0.00 175.22 176.32 3drx s LEU 202 N 0.68 4.18 -0.20 -0.37 1.43 0.18 -1.11 118.68 123.47 3drx s LEU 202 Ca -0.14 0.50 -0.04 0.00 -1.03 0.00 0.00 54.13 53.42 3drx s LEU 202 Cb -0.16 -3.28 0.10 0.00 0.03 0.00 0.00 46.19 42.88 3drx s LEU 202 CO 0.04 -0.09 0.30 0.00 0.23 0.00 0.00 176.35 176.82 3drx s VAL 204 N 2.44 4.40 0.00 0.00 1.01 0.12 -0.26 120.40 128.11 3drx s VAL 204 Ca 0.07 1.84 -0.05 0.00 0.00 0.00 0.00 61.98 63.84 3drx s VAL 204 Cb -0.14 -4.21 -0.00 0.00 0.00 0.00 0.00 36.38 32.02 3drx s VAL 204 CO -0.12 0.45 0.09 0.54 0.00 0.00 0.00 175.10 176.05 3drx s VAL 205 N -0.71 0.08 0.28 2.92 0.11 -0.25 -1.54 120.40 121.30 3drx s VAL 205 Ca 0.40 -0.69 0.02 0.00 -2.93 0.00 0.00 61.98 58.78 3drx s VAL 205 Cb -0.23 -0.36 -0.05 0.00 -1.53 0.00 0.00 36.38 34.20 3drx s VAL 205 CO 0.28 -0.38 0.10 -0.94 -3.33 0.00 0.00 175.10 170.83 3drx s SER 206 N -1.27 1.51 0.06 3.54 1.04 0.94 -0.85 113.70 118.66 3drx s SER 206 Ca -0.14 -1.42 -0.14 0.00 0.48 0.00 0.00 55.95 54.73 3drx s SER 206 Cb -0.08 0.16 0.02 0.00 0.10 0.00 0.00 66.02 66.23 3drx s SER 206 CO 0.01 -0.74 0.32 -0.75 0.98 0.00 0.00 173.24 173.06 3drx s LYS 207 N -3.97 0.87 0.01 4.02 2.20 -0.84 0.91 119.74 122.94 3drx s LYS 207 Ca 0.37 -0.56 -0.05 0.00 -0.36 0.00 0.00 55.97 55.37 3drx s LYS 207 Cb 0.07 0.38 -0.05 0.00 -1.51 0.00 0.00 37.83 36.73 3drx s LYS 207 CO 0.14 -0.29 0.24 -1.21 -0.36 0.00 0.00 175.35 173.88 3drx s GLU 208 N -2.87 3.53 -0.12 4.03 2.02 -1.26 -2.38 118.70 121.66 3drx s GLU 208 Ca -0.03 -0.18 0.00 0.00 0.02 0.00 0.00 54.97 54.79 3drx s GLU 208 Cb 0.00 -3.07 -0.02 0.00 0.10 0.00 0.00 34.13 31.15 3drx s GLU 208 CO -0.05 0.64 -0.12 -0.51 0.02 0.00 0.00 175.26 175.24 3drx s LEU 209 N -1.92 2.79 -0.60 1.80 1.43 -0.16 -4.95 118.68 117.06 3drx s LEU 209 Ca 0.29 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.13 3drx s LEU 209 Cb -0.13 -1.62 0.15 0.00 0.03 0.00 0.00 46.19 44.62 3drx s LEU 209 CO 0.18 0.21 0.38 -1.00 0.23 0.00 0.00 176.35 176.35 3drx s HIS 210 N 0.11 3.34 0.00 0.29 3.76 -1.26 -3.91 115.29 117.62 3drx s HIS 210 Ca -0.05 -3.03 0.00 0.00 -0.15 0.00 0.00 55.06 51.82 3drx s HIS 210 Cb -0.15 -2.97 0.00 0.00 1.11 0.00 0.00 32.58 30.58 3drx s HIS 210 CO 0.04 -0.75 0.00 0.09 -0.85 0.00 0.00 174.74 173.27