#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mv9 s VAL 4 N 0.00 0.61 0.02 1.69 1.01 -1.26 -1.94 120.40 120.53 3mv9 s VAL 4 Ca 0.00 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.67 3mv9 s VAL 4 Cb 0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 3mv9 s VAL 4 CO 0.00 0.03 -0.06 0.42 0.00 0.00 0.00 175.10 175.49 3mv9 s THR 5 N 1.84 3.71 -0.05 3.92 -4.23 -1.15 -3.74 115.64 115.94 3mv9 s THR 5 Ca 0.01 -0.81 0.04 0.00 -1.18 0.00 0.00 61.69 59.76 3mv9 s THR 5 Cb -0.15 -2.64 -0.02 0.00 1.34 0.00 0.00 72.50 71.03 3mv9 s THR 5 CO -0.07 0.35 -0.17 -1.10 -0.54 0.00 0.00 174.62 173.09 3mv9 s GLN 6 N -1.56 2.50 0.00 3.99 -0.21 -1.26 -0.55 119.66 122.57 3mv9 s GLN 6 Ca 0.18 -0.75 0.00 0.00 0.02 0.00 0.00 55.36 54.81 3mv9 s GLN 6 Cb -0.11 -2.32 0.00 0.00 1.00 0.00 0.00 33.01 31.58 3mv9 s GLN 6 CO 0.09 0.57 0.00 0.45 -2.12 0.00 0.00 175.29 174.28 3mv9 n SER 7 N 2.47 0.00 -4.58 5.90 2.88 -1.20 -4.47 113.62 114.61 3mv9 n SER 7 Ca -0.17 0.12 -0.41 0.00 -1.33 0.00 0.00 58.87 57.08 3mv9 n SER 7 Cb 0.52 -0.14 -0.03 0.00 -0.75 0.00 0.00 64.21 63.81 3mv9 n SER 7 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 3mv9 s PRO 8 N -0.29 2.97 0.03 -1.46 0.02 -1.26 -4.77 135.00 130.25 3mv9 s PRO 8 Ca 0.00 1.30 -0.20 0.00 0.02 0.00 0.00 61.00 62.12 3mv9 s PRO 8 Cb 0.00 -4.32 -0.11 0.00 0.02 0.00 0.00 34.50 30.09 3mv9 s PRO 8 CO 0.00 -2.30 1.30 1.49 -0.33 0.00 0.00 177.00 177.16 3mv9 h GLU 9 N 14.57 -0.66 -6.51 5.54 4.81 -1.83 -3.41 114.58 127.09 3mv9 h GLU 9 Ca -0.31 0.04 -0.52 0.00 -0.13 0.00 0.00 59.36 58.44 3mv9 h GLU 9 Cb 1.19 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.70 3mv9 h GLU 9 CO 1.09 -0.44 -0.10 0.00 -0.73 0.00 0.00 179.01 178.83 3mv9 s ALA 10 N -4.60 3.57 -0.09 2.92 0.00 -1.26 -0.43 121.76 121.87 3mv9 s ALA 10 Ca -0.10 -0.40 -0.04 0.00 0.00 0.00 0.00 51.96 51.42 3mv9 s ALA 10 Cb 0.01 -2.40 0.05 0.00 0.00 0.00 0.00 23.12 20.78 3mv9 s ALA 10 CO 0.32 0.32 0.19 -1.17 0.00 0.00 0.00 175.76 175.42 3mv9 s LEU 11 N -3.28 0.22 -0.31 0.00 0.20 0.83 -4.85 118.68 111.49 3mv9 s LEU 11 Ca 0.46 0.41 -0.01 0.00 0.69 0.00 0.00 54.13 55.68 3mv9 s LEU 11 Cb -0.11 0.48 0.10 0.00 -0.43 0.00 0.00 46.19 46.23 3mv9 s LEU 11 CO 0.26 -0.20 0.10 -0.60 -0.29 0.00 0.00 176.35 175.63 3mv9 s ARG 12 N 1.76 0.63 -0.01 1.98 6.06 -1.26 -0.46 118.95 127.66 3mv9 s ARG 12 Ca -0.04 -1.00 0.06 0.00 -2.50 0.00 0.00 55.73 52.25 3mv9 s ARG 12 Cb -0.12 -1.86 -0.03 0.00 0.06 0.00 0.00 34.95 33.01 3mv9 s ARG 12 CO -0.07 -1.00 -0.18 -0.51 -2.50 0.00 0.00 175.30 171.04 3mv9 s LEU 13 N 1.67 2.53 0.19 -0.88 1.02 -0.33 -4.99 118.68 117.89 3mv9 s LEU 13 Ca 0.10 -0.34 -0.30 0.00 0.02 0.00 0.00 54.13 53.61 3mv9 s LEU 13 Cb -0.17 -1.49 -0.08 0.00 0.02 0.00 0.00 46.19 44.47 3mv9 s LEU 13 CO -0.27 0.31 1.08 -1.10 0.02 0.00 0.00 176.35 176.39 3mv9 s GLN 14 N -0.93 4.63 -0.21 1.70 -1.52 -1.26 -0.05 119.66 122.01 3mv9 s GLN 14 Ca 0.12 1.70 -0.36 0.00 -1.95 0.00 0.00 55.36 54.87 3mv9 s GLN 14 Cb -0.10 -3.27 -0.16 0.00 -0.22 0.00 0.00 33.01 29.25 3mv9 s GLN 14 CO 0.02 0.13 1.10 -1.91 -0.25 0.00 0.00 175.29 174.38 3mv9 n GLU 15 N 2.18 0.00 0.00 2.91 2.13 0.80 -0.81 120.64 127.84 3mv9 n GLU 15 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 3mv9 n GLU 15 Cb 0.46 -1.23 0.00 0.00 0.27 0.00 0.00 31.44 30.95 3mv9 n GLU 15 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3mv9 n GLY 16 N 2.28 0.89 3.41 8.31 0.00 0.76 -4.84 105.19 115.99 3mv9 n GLY 16 Ca 0.21 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.79 3mv9 n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mv9 s GLU 17 N -0.98 3.08 1.01 1.61 2.12 0.01 -4.24 118.70 121.30 3mv9 s GLU 17 Ca 0.00 -1.11 -0.11 0.00 0.36 0.00 0.00 54.97 54.11 3mv9 s GLU 17 Cb 0.00 -4.21 0.20 0.00 0.26 0.00 0.00 34.13 30.38 3mv9 s GLU 17 CO 0.00 -1.48 1.10 -1.12 -0.54 0.00 0.00 175.26 173.23 3mv9 s SER 18 N 3.34 2.14 0.00 -1.70 0.01 -1.26 -4.35 113.70 111.88 3mv9 s SER 18 Ca 0.14 1.96 0.00 0.00 1.31 0.00 0.00 55.95 59.36 3mv9 s SER 18 Cb -0.22 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.53 3mv9 s SER 18 CO 0.09 -3.55 0.00 -0.24 0.41 0.00 0.00 173.24 169.94 3mv9 n SER 19 N -4.52 0.00 -4.40 2.44 2.88 -0.91 -4.97 113.62 104.15 3mv9 n SER 19 Ca 0.09 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.27 3mv9 n SER 19 Cb 0.53 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.86 3mv9 n SER 19 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3mv9 s SER 20 N 0.00 4.78 -0.21 -3.46 1.04 -1.26 -1.46 113.70 113.13 3mv9 s SER 20 Ca 0.00 -0.27 -0.27 0.00 0.48 0.00 0.00 55.95 55.89 3mv9 s SER 20 Cb 0.00 -1.84 -0.00 0.00 0.10 0.00 0.00 66.02 64.28 3mv9 s SER 20 CO 0.00 -0.01 0.95 -0.76 0.98 0.00 0.00 173.24 174.40 3mv9 s LEU 21 N 1.46 4.13 0.69 2.42 1.02 -0.42 -4.89 118.68 123.08 3mv9 s LEU 21 Ca 0.05 1.28 -0.11 0.00 0.02 0.00 0.00 54.13 55.37 3mv9 s LEU 21 Cb -0.15 -3.41 0.00 0.00 0.02 0.00 0.00 46.19 42.66 3mv9 s LEU 21 CO 0.01 -0.56 1.08 0.20 0.02 0.00 0.00 176.35 177.10 3mv9 s ASN 22 N 1.21 5.59 -0.30 2.29 -0.87 -1.26 -1.66 114.94 119.94 3mv9 s ASN 22 Ca 0.41 1.17 -0.07 0.00 -1.57 0.00 0.00 52.86 52.80 3mv9 s ASN 22 Cb -0.16 -2.02 0.15 0.00 -0.02 0.00 0.00 41.25 39.20 3mv9 s ASN 22 CO 0.09 -1.25 0.64 0.00 -2.57 0.00 0.00 177.10 174.01 3mv9 s SER 24 N 2.88 6.32 -0.17 0.00 0.15 0.29 -0.52 113.70 122.65 3mv9 s SER 24 Ca 0.03 0.17 -0.15 0.00 0.70 0.00 0.00 55.95 56.70 3mv9 s SER 24 Cb -0.13 -1.91 0.05 0.00 -1.71 0.00 0.00 66.02 62.32 3mv9 s SER 24 CO -0.20 -0.12 0.46 -0.72 1.20 0.00 0.00 173.24 173.87 3mv9 s TYR 25 N -2.04 -0.53 -0.14 3.44 -0.85 -1.02 -2.95 117.35 113.26 3mv9 s TYR 25 Ca 0.36 1.26 0.00 0.00 -0.52 0.00 0.00 57.07 58.17 3mv9 s TYR 25 Cb -0.09 0.20 -0.01 0.00 0.38 0.00 0.00 41.96 42.44 3mv9 s TYR 25 CO 0.31 -0.26 -0.15 0.95 -1.52 0.00 0.00 175.55 174.88 3mv9 s THR 26 N 0.43 2.81 0.00 -3.49 -4.23 -0.82 -4.74 115.64 105.62 3mv9 s THR 26 Ca -0.02 -0.74 -0.11 0.00 -1.18 0.00 0.00 61.69 59.65 3mv9 s THR 26 Cb -0.04 -2.18 0.01 0.00 1.34 0.00 0.00 72.50 71.64 3mv9 s THR 26 CO -0.02 0.52 0.22 0.54 -0.54 0.00 0.00 174.62 175.34 3mv9 s VAL 27 N 0.57 0.08 0.01 2.29 0.11 -1.26 -4.83 120.40 117.37 3mv9 s VAL 27 Ca -0.09 -0.64 -0.25 0.00 -2.93 0.00 0.00 61.98 58.06 3mv9 s VAL 27 Cb -0.16 -0.60 -0.17 0.00 -1.53 0.00 0.00 36.38 33.92 3mv9 s VAL 27 CO 0.04 -0.35 1.28 0.28 -3.33 0.00 0.00 175.10 173.01 3mv9 h SER 28 N 3.94 -0.34 -4.41 3.54 0.02 -1.99 -3.45 113.55 110.85 3mv9 h SER 28 Ca -0.31 -0.17 -0.14 0.00 -0.84 0.00 0.00 61.79 60.34 3mv9 h SER 28 Cb 1.19 0.09 -0.23 0.00 0.14 0.00 0.00 62.40 63.59 3mv9 h SER 28 CO 0.42 0.00 -0.37 -0.83 -1.14 0.00 0.00 176.83 174.91 3mv9 s GLY 29 N -2.68 -0.15 -0.33 -3.77 0.00 -1.26 -4.98 107.32 94.15 3mv9 s GLY 29 Ca -0.14 0.48 -0.17 0.00 0.00 0.00 0.00 44.72 44.89 3mv9 s GLY 29 CO 0.56 0.33 0.44 -2.27 0.00 0.00 0.00 173.10 172.16 3mv9 s LEU 30 N -0.60 4.32 -0.14 0.66 0.20 -1.26 0.37 118.68 122.22 3mv9 s LEU 30 Ca -0.07 -0.02 -0.25 0.00 0.69 0.00 0.00 54.13 54.47 3mv9 s LEU 30 Cb -0.04 -2.48 -0.23 0.00 -0.43 0.00 0.00 46.19 43.01 3mv9 s LEU 30 CO 0.02 -0.38 0.63 -0.09 -0.29 0.00 0.00 176.35 176.24 3mv9 h ARG 31 N 8.40 0.00 -2.62 1.98 2.43 -1.88 -3.43 114.38 119.26 3mv9 h ARG 31 Ca -0.29 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.84 3mv9 h ARG 31 Cb 1.14 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 30.54 3mv9 h ARG 31 CO 0.72 0.90 0.20 0.20 -1.51 0.00 0.00 179.97 180.47 3mv9 s GLY 32 N -4.22 -0.60 -0.12 2.80 0.00 -1.26 -4.86 107.32 99.06 3mv9 s GLY 32 Ca -0.18 0.81 0.03 0.00 0.00 0.00 0.00 44.72 45.37 3mv9 s GLY 32 CO 0.61 0.47 -0.21 -2.27 0.00 0.00 0.00 173.10 171.70 3mv9 s LEU 39 N -2.13 2.25 -0.03 0.66 0.20 -0.62 -1.17 118.68 117.83 3mv9 s LEU 39 Ca -0.04 -0.51 0.07 0.00 0.69 0.00 0.00 54.13 54.34 3mv9 s LEU 39 Cb -0.01 -1.47 -0.02 0.00 -0.43 0.00 0.00 46.19 44.27 3mv9 s LEU 39 CO -0.04 0.14 -0.25 -0.36 -0.29 0.00 0.00 176.35 175.55 3mv9 s PHE 40 N 0.45 2.33 -0.20 5.38 0.08 0.32 -0.45 117.98 125.90 3mv9 s PHE 40 Ca -0.15 -0.54 -0.05 0.00 0.12 0.00 0.00 56.93 56.32 3mv9 s PHE 40 Cb -0.17 -1.51 -0.02 0.00 -0.57 0.00 0.00 43.02 40.74 3mv9 s PHE 40 CO 0.06 -0.10 0.00 -1.58 -0.10 0.00 0.00 175.22 173.50 3mv9 s TRP 41 N -0.43 3.04 0.24 0.36 0.52 -0.76 -0.62 118.94 121.28 3mv9 s TRP 41 Ca 0.05 -0.44 0.10 0.00 0.02 0.00 0.00 56.10 55.83 3mv9 s TRP 41 Cb -0.11 -2.09 -0.05 0.00 -1.15 0.00 0.00 33.47 30.08 3mv9 s TRP 41 CO 0.01 -0.23 -0.13 0.71 0.02 0.00 0.00 176.95 177.33 3mv9 s TYR 42 N 0.99 2.49 -0.13 -1.98 1.51 0.20 -1.38 117.35 119.05 3mv9 s TYR 42 Ca 0.02 -0.28 0.03 0.00 -1.01 0.00 0.00 57.07 55.83 3mv9 s TYR 42 Cb -0.14 -1.15 0.01 0.00 -0.11 0.00 0.00 41.96 40.57 3mv9 s TYR 42 CO 0.02 0.60 -0.22 0.50 -1.11 0.00 0.00 175.55 175.34 3mv9 s ARG 43 N -3.24 2.96 -0.09 -0.62 3.52 -0.62 0.06 118.95 120.92 3mv9 s ARG 43 Ca 0.27 -0.83 0.04 0.00 -0.13 0.00 0.00 55.73 55.08 3mv9 s ARG 43 Cb -0.07 -2.36 0.00 0.00 -1.56 0.00 0.00 34.95 30.97 3mv9 s ARG 43 CO 0.16 0.02 -0.21 -1.14 -0.81 0.00 0.00 175.30 173.32 3mv9 s GLN 44 N 0.72 2.62 0.49 5.12 0.74 0.47 -0.64 119.66 129.19 3mv9 s GLN 44 Ca -0.10 -0.76 0.02 0.00 0.05 0.00 0.00 55.36 54.58 3mv9 s GLN 44 Cb -0.16 -2.04 0.01 0.00 1.10 0.00 0.00 33.01 31.93 3mv9 s GLN 44 CO 0.00 0.16 0.70 -0.51 -0.55 0.00 0.00 175.29 175.09 3mv9 s ASP 45 N 0.36 5.56 0.07 6.67 1.11 -1.26 -1.07 116.67 128.12 3mv9 s ASP 45 Ca -0.16 0.04 -0.31 0.00 0.18 0.00 0.00 52.55 52.31 3mv9 s ASP 45 Cb -0.17 -1.12 -0.07 0.00 1.07 0.00 0.00 42.92 42.64 3mv9 s ASP 45 CO 0.07 -0.90 1.33 -2.84 1.18 0.00 0.00 175.17 174.01 3mv9 s PRO 46 N -4.61 4.35 0.00 8.23 0.02 -1.26 -3.85 135.00 137.88 3mv9 s PRO 46 Ca 0.53 1.95 0.00 0.00 0.02 0.00 0.00 61.00 63.50 3mv9 s PRO 46 Cb -0.10 -3.35 0.00 0.00 0.02 0.00 0.00 34.50 31.07 3mv9 s PRO 46 CO 0.37 -0.41 0.00 0.41 -0.33 0.00 0.00 177.00 177.04 3mv9 n GLY 47 N 3.44 2.15 3.48 0.52 0.00 -1.26 -5.02 105.19 108.50 3mv9 n GLY 47 Ca 0.11 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 3mv9 n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mv9 n LYS 48 N 0.00 -1.89 -4.14 1.61 4.01 -1.25 -5.05 118.16 111.45 3mv9 n LYS 48 Ca 0.00 -0.51 -0.27 0.00 -0.51 0.00 0.00 58.31 57.02 3mv9 n LYS 48 Cb 0.00 -2.14 -0.07 0.00 -0.51 0.00 0.00 35.03 32.31 3mv9 n LYS 48 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 3mv9 s GLY 49 N -2.36 1.74 0.12 0.72 0.00 -1.26 -4.56 107.32 101.72 3mv9 s GLY 49 Ca 0.66 -1.28 -0.35 0.00 0.00 0.00 0.00 44.72 43.76 3mv9 s GLY 49 CO 0.64 -1.29 1.29 -1.05 0.00 0.00 0.00 173.10 172.70 3mv9 n PRO 50 N -0.17 1.22 -3.86 2.90 -0.02 -1.26 -4.89 135.00 128.92 3mv9 n PRO 50 Ca -0.09 0.44 -0.26 0.00 -2.02 0.00 0.00 63.50 61.57 3mv9 n PRO 50 Cb 0.55 -2.03 -0.03 0.00 -0.02 0.00 0.00 33.50 31.96 3mv9 n PRO 50 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3mv9 s GLU 51 N 0.18 3.46 -0.05 -0.52 2.12 0.19 -4.89 118.70 119.20 3mv9 s GLU 51 Ca 0.80 -0.54 -0.20 0.00 0.36 0.00 0.00 54.97 55.38 3mv9 s GLU 51 Cb -0.90 -2.91 -0.05 0.00 0.26 0.00 0.00 34.13 30.53 3mv9 s GLU 51 CO 0.48 0.46 0.58 0.12 -0.54 0.00 0.00 175.26 176.36 3mv9 s PHE 52 N -1.84 3.62 -0.05 5.30 2.19 -1.26 -1.59 117.98 124.35 3mv9 s PHE 52 Ca 0.36 1.12 -0.06 0.00 0.33 0.00 0.00 56.93 58.67 3mv9 s PHE 52 Cb -0.11 -2.62 -0.03 0.00 -1.31 0.00 0.00 43.02 38.95 3mv9 s PHE 52 CO 0.29 0.26 -0.14 1.28 1.83 0.00 0.00 175.22 178.74 3mv9 n LEU 53 N 3.15 1.16 -3.85 6.12 4.77 -0.48 -4.89 117.00 122.97 3mv9 n LEU 53 Ca -0.06 0.18 -0.10 0.00 -0.03 0.00 0.00 56.01 56.00 3mv9 n LEU 53 Cb 0.51 -0.42 -0.08 0.00 -2.33 0.00 0.00 43.42 41.10 3mv9 n LEU 53 CO 0.44 -0.22 -0.10 -0.36 -1.33 0.00 0.00 177.39 175.81 3mv9 s PHE 54 N -2.29 0.06 0.02 -1.77 0.08 -1.00 -5.00 117.98 108.08 3mv9 s PHE 54 Ca -0.13 -0.27 0.09 0.00 0.12 0.00 0.00 56.93 56.73 3mv9 s PHE 54 Cb 0.03 -0.03 -0.02 0.00 -0.57 0.00 0.00 43.02 42.43 3mv9 s PHE 54 CO 0.18 -0.42 -0.26 -0.08 -0.10 0.00 0.00 175.22 174.53 3mv9 s THR 55 N -2.53 2.09 -0.01 0.64 -1.32 -1.26 -1.83 115.64 111.40 3mv9 s THR 55 Ca -0.05 -1.26 0.05 0.00 -1.21 0.00 0.00 61.69 59.22 3mv9 s THR 55 Cb -0.01 -1.76 -0.01 0.00 -1.51 0.00 0.00 72.50 69.21 3mv9 s THR 55 CO -0.04 0.46 -0.16 -0.76 -2.21 0.00 0.00 174.62 171.91 3mv9 s LEU 56 N -0.96 2.02 -0.03 9.08 1.43 0.41 -4.96 118.68 125.67 3mv9 s LEU 56 Ca 0.11 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 3mv9 s LEU 56 Cb -0.10 -0.84 -0.02 0.00 0.03 0.00 0.00 46.19 45.27 3mv9 s LEU 56 CO 0.01 0.19 -0.02 -1.22 0.23 0.00 0.00 176.35 175.54 3mv9 n TYR 57 N 2.73 0.00 -4.59 0.29 4.02 -1.26 -1.60 117.16 116.76 3mv9 n TYR 57 Ca -0.15 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.52 3mv9 n TYR 57 Cb 0.54 -0.11 -0.15 0.00 -0.02 0.00 0.00 39.34 39.60 3mv9 n TYR 57 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3mv9 s SER 58 N -4.08 1.59 -0.71 7.72 1.04 -1.26 -4.87 113.70 113.12 3mv9 s SER 58 Ca -0.03 -0.25 -0.34 0.00 0.48 0.00 0.00 55.95 55.81 3mv9 s SER 58 Cb 0.01 -0.34 -0.17 0.00 0.10 0.00 0.00 66.02 65.61 3mv9 s SER 58 CO 0.07 0.12 2.46 0.00 0.98 0.00 0.00 173.24 176.87 3mv9 n ALA 59 N 3.06 0.47 0.00 5.32 0.00 -1.26 -0.48 120.51 127.63 3mv9 n ALA 59 Ca -0.17 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.03 3mv9 n ALA 59 Cb 0.54 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.58 3mv9 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mv9 n GLY 60 N 6.65 1.25 3.75 0.00 0.00 -0.75 -4.98 105.19 111.12 3mv9 n GLY 60 Ca 0.55 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.17 3mv9 n GLY 60 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mv9 s GLU 61 N 0.00 4.63 0.10 1.61 2.12 0.37 -4.85 118.70 122.67 3mv9 s GLU 61 Ca 0.00 1.76 0.05 0.00 0.36 0.00 0.00 54.97 57.14 3mv9 s GLU 61 Cb 0.00 -3.23 -0.03 0.00 0.26 0.00 0.00 34.13 31.13 3mv9 s GLU 61 CO 0.00 0.17 -0.13 -1.21 -0.54 0.00 0.00 175.26 173.55 3mv9 s GLU 66 N -1.02 0.90 -0.01 4.30 2.02 -1.26 -2.57 118.70 121.06 3mv9 s GLU 66 Ca 0.46 -1.10 0.02 0.00 0.02 0.00 0.00 54.97 54.37 3mv9 s GLU 66 Cb -0.31 -0.79 0.00 0.00 0.10 0.00 0.00 34.13 33.13 3mv9 s GLU 66 CO 0.38 0.16 -0.06 0.15 0.02 0.00 0.00 175.26 175.91 3mv9 s LYS 67 N -2.31 0.61 0.00 1.61 1.02 -0.99 -4.97 119.74 114.71 3mv9 s LYS 67 Ca 0.04 -0.20 0.00 0.00 0.02 0.00 0.00 55.97 55.82 3mv9 s LYS 67 Cb -0.07 -0.60 0.00 0.00 -0.52 0.00 0.00 37.83 36.64 3mv9 s LYS 67 CO 0.02 0.09 0.00 0.39 -0.92 0.00 0.00 175.35 174.93 3mv9 n GLU 68 N 3.20 0.00 -3.20 1.68 4.71 -1.26 -2.86 120.64 122.91 3mv9 n GLU 68 Ca -0.16 0.00 -0.00 0.00 -0.01 0.00 0.00 57.16 56.99 3mv9 n GLU 68 Cb 0.56 0.00 -0.02 0.00 -1.01 0.00 0.00 31.44 30.97 3mv9 n GLU 68 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 3mv9 s LYS 69 N 0.00 0.51 6.45 3.49 2.47 0.49 -4.09 119.74 129.06 3mv9 s LYS 69 Ca 0.00 0.46 0.00 0.00 -1.56 0.00 0.00 55.97 54.87 3mv9 s LYS 69 Cb 0.00 0.09 0.00 0.00 -1.46 0.00 0.00 37.83 36.46 3mv9 s LYS 69 CO 0.00 -1.00 0.00 0.39 0.16 0.00 0.00 175.35 174.90 3mv9 n GLU 70 N 5.40 0.00 0.09 4.03 -0.58 -1.26 -3.06 120.64 125.26 3mv9 n GLU 70 Ca 0.03 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.90 3mv9 n GLU 70 Cb 0.52 0.00 0.32 0.00 -0.57 0.00 0.00 31.44 31.71 3mv9 n GLU 70 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3mv9 n ARG 78 N 12.60 0.28 -3.78 3.49 1.74 -1.26 -4.82 116.66 124.91 3mv9 n ARG 78 Ca 0.00 0.18 -0.35 0.00 -0.77 0.00 0.00 57.85 56.91 3mv9 n ARG 78 Cb 0.00 -1.77 -0.09 0.00 -1.02 0.00 0.00 32.46 29.58 3mv9 n ARG 78 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3mv9 s LEU 79 N -4.48 4.10 -0.09 0.55 1.02 -1.17 -0.87 118.68 117.74 3mv9 s LEU 79 Ca 0.09 0.17 0.03 0.00 0.02 0.00 0.00 54.13 54.44 3mv9 s LEU 79 Cb 0.12 -2.06 -0.01 0.00 0.02 0.00 0.00 46.19 44.26 3mv9 s LEU 79 CO 0.64 0.15 -0.19 -0.75 0.02 0.00 0.00 176.35 176.23 3mv9 s LYS 80 N 0.51 2.92 -0.03 1.70 2.47 -0.89 0.18 119.74 126.60 3mv9 s LYS 80 Ca 0.07 -0.79 0.06 0.00 -1.56 0.00 0.00 55.97 53.75 3mv9 s LYS 80 Cb -0.12 -2.39 -0.02 0.00 -1.46 0.00 0.00 37.83 33.84 3mv9 s LYS 80 CO -0.00 0.33 -0.20 0.00 0.16 0.00 0.00 175.35 175.64 3mv9 s ALA 81 N -0.01 2.40 -0.00 3.13 0.00 -1.13 -0.68 121.76 125.46 3mv9 s ALA 81 Ca -0.06 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 50.86 3mv9 s ALA 81 Cb -0.15 -0.75 -0.00 0.00 0.00 0.00 0.00 23.12 22.22 3mv9 s ALA 81 CO 0.05 0.54 -0.03 0.99 0.00 0.00 0.00 175.76 177.31 3mv9 s THR 82 N -0.66 0.23 -0.06 0.00 2.01 0.74 -2.34 115.64 115.56 3mv9 s THR 82 Ca 0.11 -0.12 0.06 0.00 0.31 0.00 0.00 61.69 62.04 3mv9 s THR 82 Cb -0.10 -0.20 -0.01 0.00 0.01 0.00 0.00 72.50 72.20 3mv9 s THR 82 CO -0.00 0.06 -0.24 -0.22 -0.69 0.00 0.00 174.62 173.53 3mv9 s LEU 83 N -0.06 2.06 0.00 4.42 0.20 -1.06 -0.35 118.68 123.88 3mv9 s LEU 83 Ca 0.01 -0.50 0.00 0.00 0.69 0.00 0.00 54.13 54.33 3mv9 s LEU 83 Cb -0.01 -1.34 0.00 0.00 -0.43 0.00 0.00 46.19 44.40 3mv9 s LEU 83 CO -0.00 0.24 0.00 0.35 -0.29 0.00 0.00 176.35 176.65 3mv9 n THR 84 N 2.96 0.00 0.08 3.68 -2.24 0.59 -1.81 114.28 117.54 3mv9 n THR 84 Ca -0.17 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.50 3mv9 n THR 84 Cb 0.52 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.70 3mv9 n THR 84 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3mv9 h LYS 0 N 0.00 0.22 0.00 -0.78 -0.00 -1.99 -3.37 116.57 110.66 3mv9 h LYS 0 Ca 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 60.65 60.37 3mv9 h LYS 0 Cb 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 32.23 32.32 3mv9 h LYS 0 CO 0.00 1.03 -0.78 1.63 -0.00 0.00 0.00 179.45 181.33 3mv9 n LYS 85 N -3.62 1.74 0.00 0.07 5.02 -1.26 -4.97 118.16 115.14 3mv9 n LYS 85 Ca -0.05 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 3mv9 n LYS 85 Cb 0.86 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.62 3mv9 n LYS 85 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3mv9 n GLU 86 N -1.40 0.00 -4.38 1.97 0.28 -1.26 -2.44 120.64 113.41 3mv9 n GLU 86 Ca 0.03 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 56.78 3mv9 n GLU 86 Cb 0.25 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 33.01 3mv9 n GLU 86 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3mv9 s SER 87 N 0.00 3.07 -0.06 -1.84 0.15 0.32 -0.30 113.70 115.04 3mv9 s SER 87 Ca 0.00 -0.86 0.03 0.00 0.70 0.00 0.00 55.95 55.83 3mv9 s SER 87 Cb 0.00 -0.21 0.01 0.00 -1.71 0.00 0.00 66.02 64.11 3mv9 s SER 87 CO 0.00 0.05 -0.15 -0.36 1.20 0.00 0.00 173.24 173.99 3mv9 s PHE 88 N -1.80 1.62 -0.42 3.44 0.08 0.53 -1.59 117.98 119.84 3mv9 s PHE 88 Ca 0.18 -0.56 -0.06 0.00 0.12 0.00 0.00 56.93 56.61 3mv9 s PHE 88 Cb -0.07 -1.14 0.10 0.00 -0.57 0.00 0.00 43.02 41.34 3mv9 s PHE 88 CO 0.08 -0.25 0.24 -1.17 -0.10 0.00 0.00 175.22 174.03 3mv9 s LEU 89 N 0.42 5.26 -0.50 -0.37 2.96 -0.67 -0.18 118.68 125.59 3mv9 s LEU 89 Ca -0.11 -1.81 -0.18 0.00 -0.22 0.00 0.00 54.13 51.81 3mv9 s LEU 89 Cb -0.14 -1.91 0.07 0.00 0.50 0.00 0.00 46.19 44.70 3mv9 s LEU 89 CO 0.04 -0.56 0.57 -2.28 -1.32 0.00 0.00 176.35 172.79 3mv9 s HIS 90 N 1.28 3.10 -0.09 5.38 5.65 0.14 -1.30 115.29 129.45 3mv9 s HIS 90 Ca 0.05 -0.69 -0.27 0.00 0.25 0.00 0.00 55.06 54.40 3mv9 s HIS 90 Cb -0.24 -3.48 -0.02 0.00 -1.18 0.00 0.00 32.58 27.67 3mv9 s HIS 90 CO -0.01 -0.99 0.90 0.42 -0.65 0.00 0.00 174.74 174.41 3mv9 s ILE 91 N 2.34 4.87 -0.18 0.89 1.01 -0.53 -2.09 121.20 127.51 3mv9 s ILE 91 Ca 0.12 1.83 -0.09 0.00 0.00 0.00 0.00 60.65 62.50 3mv9 s ILE 91 Cb -0.21 -4.22 -0.05 0.00 0.01 0.00 0.00 42.46 37.99 3mv9 s ILE 91 CO 0.10 0.09 0.12 -0.89 0.00 0.00 0.00 174.94 174.36 3mv9 s THR 92 N 1.63 5.35 -1.15 2.92 2.01 -0.04 -2.14 115.64 124.22 3mv9 s THR 92 Ca 0.44 0.16 -0.16 0.00 0.31 0.00 0.00 61.69 62.45 3mv9 s THR 92 Cb -0.18 -3.41 -0.02 0.00 0.01 0.00 0.00 72.50 68.90 3mv9 s THR 92 CO 0.18 0.48 0.78 0.00 -0.69 0.00 0.00 174.62 175.38 3mv9 n ALA 93 N 3.20 -2.47 -1.68 7.40 0.00 -1.26 -4.75 120.51 120.94 3mv9 n ALA 93 Ca -0.17 -0.19 -0.48 0.00 0.00 0.00 0.00 53.44 52.61 3mv9 n ALA 93 Cb 0.53 -4.06 -0.05 0.00 0.00 0.00 0.00 19.45 15.87 3mv9 n ALA 93 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3mv9 n PRO 94 N -4.08 2.18 -2.40 0.00 -0.04 -1.26 -4.40 135.00 125.00 3mv9 n PRO 94 Ca -0.12 0.80 -0.30 0.00 -0.04 0.00 0.00 63.50 63.84 3mv9 n PRO 94 Cb 0.61 -2.63 -0.01 0.00 -0.04 0.00 0.00 33.50 31.43 3mv9 n PRO 94 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3mv9 s LYS 95 N 3.41 3.66 0.34 0.54 1.02 -1.26 -0.17 119.74 127.27 3mv9 s LYS 95 Ca 0.90 0.52 0.06 0.00 0.02 0.00 0.00 55.97 57.46 3mv9 s LYS 95 Cb -0.69 -2.25 0.71 0.00 -0.52 0.00 0.00 37.83 35.08 3mv9 s LYS 95 CO 0.49 -0.30 1.92 -1.35 -0.92 0.00 0.00 175.35 175.18 3mv9 h PRO 96 N 0.33 0.78 0.00 -1.68 0.11 -1.91 -1.48 132.00 128.16 3mv9 h PRO 96 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3mv9 h PRO 96 Cb 1.19 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3mv9 h PRO 96 CO 0.62 0.52 0.00 -0.85 -0.21 0.00 0.00 178.00 178.08 3mv9 n GLU 97 N -4.51 0.38 -0.25 1.05 0.28 -1.26 -0.69 120.64 115.64 3mv9 n GLU 97 Ca 0.14 0.06 0.02 0.00 -0.16 0.00 0.00 57.16 57.22 3mv9 n GLU 97 Cb 0.30 -1.50 0.12 0.00 1.43 0.00 0.00 31.44 31.79 3mv9 n GLU 97 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3mv9 n ASP 98 N -1.12 2.24 -4.55 -1.84 10.43 -0.56 -4.83 116.55 116.33 3mv9 n ASP 98 Ca 0.10 -2.24 -0.42 0.00 2.57 0.00 0.00 54.79 54.80 3mv9 n ASP 98 Cb 0.08 -0.49 -0.03 0.00 1.84 0.00 0.00 41.12 42.52 3mv9 n ASP 98 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 3mv9 s SER 99 N -0.37 6.32 0.22 -2.24 0.01 0.13 -4.89 113.70 112.88 3mv9 s SER 99 Ca 0.16 -0.26 -0.23 0.00 1.31 0.00 0.00 55.95 56.94 3mv9 s SER 99 Cb 0.12 -2.52 0.05 0.00 0.21 0.00 0.00 66.02 63.88 3mv9 s SER 99 CO 0.06 -1.52 0.87 0.00 0.41 0.00 0.00 173.24 173.06 3mv9 s ALA 100 N 4.87 -1.42 0.01 1.44 0.00 -1.15 -4.95 121.76 120.56 3mv9 s ALA 100 Ca 0.36 -0.14 -0.06 0.00 0.00 0.00 0.00 51.96 52.12 3mv9 s ALA 100 Cb -0.10 0.72 -0.05 0.00 0.00 0.00 0.00 23.12 23.70 3mv9 s ALA 100 CO 0.20 -1.04 0.26 -0.08 0.00 0.00 0.00 175.76 175.10 3mv9 s THR 101 N -3.31 5.31 -0.11 0.00 -1.32 -0.23 -1.61 115.64 114.37 3mv9 s THR 101 Ca 0.13 0.13 0.03 0.00 -1.21 0.00 0.00 61.69 60.77 3mv9 s THR 101 Cb -0.03 -3.57 -0.00 0.00 -1.51 0.00 0.00 72.50 67.39 3mv9 s THR 101 CO 0.05 0.35 -0.21 -0.31 -2.21 0.00 0.00 174.62 172.28 3mv9 s TYR 102 N -1.32 2.62 0.10 9.09 2.02 -0.15 -0.39 117.35 129.32 3mv9 s TYR 102 Ca 0.28 -0.95 0.04 0.00 -0.37 0.00 0.00 57.07 56.07 3mv9 s TYR 102 Cb -0.13 -1.74 -0.04 0.00 -0.40 0.00 0.00 41.96 39.65 3mv9 s TYR 102 CO 0.17 -0.37 0.08 -0.51 -1.57 0.00 0.00 175.55 173.35 3mv9 s LEU 103 N 0.34 3.76 -0.10 -1.29 1.43 0.11 -1.98 118.68 120.95 3mv9 s LEU 103 Ca -0.17 -0.05 0.02 0.00 -1.03 0.00 0.00 54.13 52.90 3mv9 s LEU 103 Cb -0.17 -2.43 0.01 0.00 0.03 0.00 0.00 46.19 43.62 3mv9 s LEU 103 CO 0.08 0.15 -0.14 0.00 0.23 0.00 0.00 176.35 176.67 3mv9 s ALA 105 N 0.92 0.28 0.39 0.00 0.00 0.21 0.12 121.76 123.67 3mv9 s ALA 105 Ca -0.09 -0.38 0.08 0.00 0.00 0.00 0.00 51.96 51.57 3mv9 s ALA 105 Cb -0.15 0.02 -0.07 0.00 0.00 0.00 0.00 23.12 22.91 3mv9 s ALA 105 CO 0.00 -0.01 -0.01 0.54 0.00 0.00 0.00 175.76 176.27 3mv9 s VAL 106 N -0.71 2.09 0.02 0.00 0.11 -1.04 0.12 120.40 120.99 3mv9 s VAL 106 Ca -0.06 -2.05 0.00 0.00 -2.93 0.00 0.00 61.98 56.94 3mv9 s VAL 106 Cb -0.05 -2.90 0.00 0.00 -1.53 0.00 0.00 36.38 31.90 3mv9 s VAL 106 CO -0.00 -0.06 0.00 0.00 -3.33 0.00 0.00 175.10 171.71 3mv9 n GLN 107 N -0.93 0.00 -0.29 1.54 6.02 -0.32 -2.63 117.38 120.77 3mv9 n GLN 107 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 3mv9 n GLN 107 Cb 0.66 -0.48 0.00 0.00 1.02 0.00 0.00 30.24 31.44 3mv9 n GLN 107 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3mv9 n ASP 108 N -3.08 -1.29 0.00 1.08 4.64 -1.25 -4.75 116.55 111.90 3mv9 n ASP 108 Ca 0.00 0.00 0.07 0.00 -1.38 0.00 0.00 54.79 53.48 3mv9 n ASP 108 Cb 0.39 -0.53 0.32 0.00 -1.04 0.00 0.00 41.12 40.26 3mv9 n ASP 108 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 3mv9 n LEU 109 N -0.03 0.00 -0.67 -2.67 7.99 0.16 -3.01 117.00 118.77 3mv9 n LEU 109 Ca 0.00 0.48 0.12 0.00 -0.01 0.00 0.00 56.01 56.60 3mv9 n LEU 109 Cb 0.00 -0.48 0.36 0.00 -0.11 0.00 0.00 43.42 43.19 3mv9 n LEU 109 CO 0.00 -0.24 0.78 0.61 -1.51 0.00 0.00 177.39 177.03 3mv9 n GLY 110 N 0.02 0.49 3.20 -0.72 0.00 -1.26 -4.86 105.19 102.06 3mv9 n GLY 110 Ca 0.04 -0.51 -0.19 0.00 0.00 0.00 0.00 46.02 45.35 3mv9 n GLY 110 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mv9 s THR 111 N -1.86 1.24 0.39 2.61 -4.23 -1.16 -5.10 115.64 107.52 3mv9 s THR 111 Ca 0.34 -1.37 -0.08 0.00 -1.18 0.00 0.00 61.69 59.40 3mv9 s THR 111 Cb 0.20 -1.19 -0.06 0.00 1.34 0.00 0.00 72.50 72.80 3mv9 s THR 111 CO 0.30 -0.20 0.71 -0.44 -0.54 0.00 0.00 174.62 174.45 3mv9 s SER 112 N -1.81 6.45 0.00 3.99 0.01 -1.26 -4.93 113.70 116.16 3mv9 s SER 112 Ca 0.00 0.97 0.00 0.00 1.31 0.00 0.00 55.95 58.23 3mv9 s SER 112 Cb -0.10 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 63.88 3mv9 s SER 112 CO 0.03 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 173.91 3mv9 n GLY 113 N -1.38 -1.78 0.32 3.44 0.00 -1.26 -4.72 105.19 99.80 3mv9 n GLY 113 Ca 0.01 -2.01 0.07 0.00 0.00 0.00 0.00 46.02 44.09 3mv9 n GLY 113 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3mv9 n SER 114 N 0.03 1.70 -4.76 1.61 7.64 -1.26 -5.07 113.62 113.51 3mv9 n SER 114 Ca 0.00 -2.94 -0.37 0.00 1.01 0.00 0.00 58.87 56.58 3mv9 n SER 114 Cb 0.00 -0.39 0.02 0.00 -1.01 0.00 0.00 64.21 62.83 3mv9 n SER 114 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mv9 s ARG 115 N -2.20 3.26 -0.10 1.43 1.70 -1.26 -5.02 118.95 116.76 3mv9 s ARG 115 Ca 0.27 1.89 -0.02 0.00 -0.47 0.00 0.00 55.73 57.39 3mv9 s ARG 115 Cb 0.24 -2.14 -0.03 0.00 -0.57 0.00 0.00 34.95 32.45 3mv9 s ARG 115 CO -0.00 -0.99 -0.00 -0.51 -1.08 0.00 0.00 175.30 172.71 3mv9 s LEU 116 N -3.64 3.55 -0.29 -1.89 1.43 -1.26 -4.49 118.68 112.09 3mv9 s LEU 116 Ca 0.72 0.10 -0.08 0.00 -1.03 0.00 0.00 54.13 53.85 3mv9 s LEU 116 Cb -0.32 -1.82 -0.00 0.00 0.03 0.00 0.00 46.19 44.08 3mv9 s LEU 116 CO 0.36 0.34 0.10 0.42 0.23 0.00 0.00 176.35 177.80 3mv9 s THR 117 N -0.65 4.19 0.22 5.49 -4.23 -1.08 -4.96 115.64 114.63 3mv9 s THR 117 Ca 0.10 -0.52 -0.20 0.00 -1.18 0.00 0.00 61.69 59.89 3mv9 s THR 117 Cb -0.12 -3.12 -0.08 0.00 1.34 0.00 0.00 72.50 70.52 3mv9 s THR 117 CO 0.02 0.13 0.73 -0.36 -0.54 0.00 0.00 174.62 174.59 3mv9 s PHE 118 N 1.55 3.66 0.99 3.99 0.40 -1.26 -2.49 117.98 124.82 3mv9 s PHE 118 Ca 0.04 1.40 -0.13 0.00 -0.60 0.00 0.00 56.93 57.64 3mv9 s PHE 118 Cb -0.17 -2.62 0.18 0.00 0.51 0.00 0.00 43.02 40.92 3mv9 s PHE 118 CO 0.04 0.35 1.11 0.20 0.70 0.00 0.00 175.22 177.61 3mv9 s GLY 119 N -1.62 1.57 0.12 4.36 0.00 0.32 -4.72 107.32 107.35 3mv9 s GLY 119 Ca 0.42 -0.45 -0.16 0.00 0.00 0.00 0.00 44.72 44.53 3mv9 s GLY 119 CO 0.21 0.16 1.62 0.83 0.00 0.00 0.00 173.10 175.92 3mv9 h GLU 120 N -1.83 0.62 0.00 2.90 4.39 -1.89 -3.43 114.58 115.34 3mv9 h GLU 120 Ca -0.53 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.01 3mv9 h GLU 120 Cb 1.33 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 3mv9 h GLU 120 CO 0.58 0.65 0.00 0.41 -1.16 0.00 0.00 179.01 179.50 3mv9 n GLY 121 N -0.56 3.60 3.29 -3.84 0.00 -1.26 -5.03 105.19 101.38 3mv9 n GLY 121 Ca -0.01 -1.57 -0.38 0.00 0.00 0.00 0.00 46.02 44.06 3mv9 n GLY 121 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mv9 s THR 122 N -1.41 3.85 -0.49 2.61 2.01 -0.84 -4.68 115.64 116.69 3mv9 s THR 122 Ca 0.00 -1.07 -0.26 0.00 0.31 0.00 0.00 61.69 60.67 3mv9 s THR 122 Cb 0.00 -3.16 0.03 0.00 0.01 0.00 0.00 72.50 69.38 3mv9 s THR 122 CO 0.00 -0.16 0.96 -1.58 -0.69 0.00 0.00 174.62 173.15 3mv9 s GLN 123 N 1.42 3.50 -0.24 4.92 -0.44 0.43 -0.98 119.66 128.27 3mv9 s GLN 123 Ca -0.01 0.11 -0.09 0.00 -2.50 0.00 0.00 55.36 52.86 3mv9 s GLN 123 Cb -0.19 -3.95 -0.04 0.00 -1.64 0.00 0.00 33.01 27.18 3mv9 s GLN 123 CO 0.03 -1.31 0.13 -1.17 0.50 0.00 0.00 175.29 173.47 3mv9 s LEU 124 N 3.91 3.90 -0.18 3.68 2.96 -0.63 -0.12 118.68 132.20 3mv9 s LEU 124 Ca 0.37 0.01 0.01 0.00 -0.22 0.00 0.00 54.13 54.30 3mv9 s LEU 124 Cb -0.10 -2.05 0.03 0.00 0.50 0.00 0.00 46.19 44.57 3mv9 s LEU 124 CO 0.25 0.03 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.26 3mv9 s THR 125 N 1.24 1.92 -0.39 3.68 2.01 0.39 -2.94 115.64 121.55 3mv9 s THR 125 Ca 0.06 -0.94 -0.18 0.00 0.31 0.00 0.00 61.69 60.94 3mv9 s THR 125 Cb -0.14 -1.80 0.01 0.00 0.01 0.00 0.00 72.50 70.58 3mv9 s THR 125 CO 0.05 0.43 0.48 -0.69 -0.69 0.00 0.00 174.62 174.20 3mv9 s VAL 126 N 1.33 5.04 0.04 3.82 1.01 -1.25 -1.19 120.40 129.19 3mv9 s VAL 126 Ca 0.03 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.68 3mv9 s VAL 126 Cb -0.14 -4.01 -0.06 0.00 0.00 0.00 0.00 36.38 32.17 3mv9 s VAL 126 CO -0.11 -0.33 1.43 0.21 0.00 0.00 0.00 175.10 176.29 3mv9 s ASN 127 N 1.81 6.81 0.40 3.32 2.47 0.92 -4.67 114.94 126.01 3mv9 s ASN 127 Ca 0.15 2.21 -0.24 0.00 0.42 0.00 0.00 52.86 55.41 3mv9 s ASN 127 Cb -0.16 -2.57 -0.09 0.00 -1.45 0.00 0.00 41.25 36.98 3mv9 s ASN 127 CO 0.14 -0.72 1.01 -2.16 -3.72 0.00 0.00 177.10 171.65 3mv9 s PRO 128 N 2.12 4.22 0.18 0.43 0.05 -1.26 -0.14 135.00 140.60 3mv9 s PRO 128 Ca 0.65 1.40 -0.30 0.00 0.05 0.00 0.00 61.00 62.80 3mv9 s PRO 128 Cb -0.34 -2.49 -0.08 0.00 0.05 0.00 0.00 34.50 31.65 3mv9 s PRO 128 CO 0.28 -0.07 1.08 -0.80 0.05 0.00 0.00 177.00 177.54 3mv9 s ASN 129 N -1.71 7.31 -0.26 6.66 0.02 -1.26 -4.55 114.94 121.15 3mv9 s ASN 129 Ca 0.58 2.06 -0.02 0.00 -1.02 0.00 0.00 52.86 54.47 3mv9 s ASN 129 Cb -0.19 -2.60 0.03 0.00 0.02 0.00 0.00 41.25 38.51 3mv9 s ASN 129 CO 0.24 -0.18 -0.04 -0.63 0.02 0.00 0.00 177.10 176.51 3mv9 s ILE 130 N -0.33 2.90 0.05 0.60 -1.09 -1.26 -4.98 121.20 117.09 3mv9 s ILE 130 Ca 0.48 -1.14 -0.19 0.00 -2.23 0.00 0.00 60.65 57.57 3mv9 s ILE 130 Cb -0.29 -2.54 -0.13 0.00 -1.58 0.00 0.00 42.46 37.93 3mv9 s ILE 130 CO 0.35 0.10 1.37 1.56 -1.23 0.00 0.00 174.94 177.09 3mv9 h GLN 131 N 8.00 0.43 -2.62 2.79 1.08 -1.96 -3.40 115.11 119.44 3mv9 h GLN 131 Ca -0.29 -0.22 -0.59 0.00 -1.45 0.00 0.00 58.65 56.10 3mv9 h GLN 131 Cb 1.09 0.01 -0.39 0.00 -0.05 0.00 0.00 27.48 28.14 3mv9 h GLN 131 CO 0.56 0.78 -0.85 -0.80 -0.95 0.00 0.00 178.83 177.57 3mv9 s ASN 132 N -6.20 2.67 0.21 1.46 -0.87 -1.26 -5.11 114.94 105.84 3mv9 s ASN 132 Ca -0.14 -2.73 -0.32 0.00 -1.57 0.00 0.00 52.86 48.10 3mv9 s ASN 132 Cb 0.06 -0.63 -0.14 0.00 -0.02 0.00 0.00 41.25 40.52 3mv9 s ASN 132 CO 0.77 -0.23 1.42 -2.65 -2.57 0.00 0.00 177.10 173.84 3mv9 n PRO 133 N 3.34 1.94 -3.14 -0.60 -0.02 -1.26 -4.95 135.00 130.30 3mv9 n PRO 133 Ca 0.19 0.69 -0.21 0.00 -2.02 0.00 0.00 63.50 62.15 3mv9 n PRO 133 Cb 0.40 -2.36 -0.04 0.00 -0.02 0.00 0.00 33.50 31.48 3mv9 n PRO 133 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3mv9 n ASP 134 N 2.45 1.72 -4.62 2.55 4.64 -0.16 -5.03 116.55 118.10 3mv9 n ASP 134 Ca 0.13 -3.14 -0.57 0.00 -1.38 0.00 0.00 54.79 49.83 3mv9 n ASP 134 Cb 0.30 -0.61 -0.07 0.00 -1.04 0.00 0.00 41.12 39.69 3mv9 n ASP 134 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 3mv9 n PRO 135 N 0.33 0.76 -4.07 -0.67 -0.04 -1.15 -4.66 135.00 125.50 3mv9 n PRO 135 Ca 0.26 0.28 -0.10 0.00 -0.04 0.00 0.00 63.50 63.90 3mv9 n PRO 135 Cb 0.57 -1.88 -0.07 0.00 -0.04 0.00 0.00 33.50 32.08 3mv9 n PRO 135 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mv9 s ALA 136 N 1.50 0.27 -0.25 0.55 0.00 -0.88 -0.67 121.76 122.27 3mv9 s ALA 136 Ca 0.92 -1.17 -0.04 0.00 0.00 0.00 0.00 51.96 51.67 3mv9 s ALA 136 Cb -1.12 1.18 0.09 0.00 0.00 0.00 0.00 23.12 23.27 3mv9 s ALA 136 CO 0.58 -0.75 0.14 0.08 0.00 0.00 0.00 175.76 175.81 3mv9 s VAL 137 N -4.07 -0.12 0.18 0.00 1.01 -1.13 -1.73 120.40 114.55 3mv9 s VAL 137 Ca 0.28 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.77 3mv9 s VAL 137 Cb 0.02 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 3mv9 s VAL 137 CO 0.10 -0.55 0.23 -0.31 0.00 0.00 0.00 175.10 174.56 3mv9 s TYR 138 N 2.14 3.31 0.01 5.22 2.02 -1.04 -4.59 117.35 124.43 3mv9 s TYR 138 Ca 0.07 0.02 0.06 0.00 -0.37 0.00 0.00 57.07 56.85 3mv9 s TYR 138 Cb -0.16 -1.56 -0.03 0.00 -0.40 0.00 0.00 41.96 39.81 3mv9 s TYR 138 CO -0.27 0.51 -0.17 -1.14 -1.57 0.00 0.00 175.55 172.90 3mv9 s GLN 139 N -3.38 2.23 -0.09 -0.62 0.74 -1.26 -0.30 119.66 116.99 3mv9 s GLN 139 Ca 0.33 -0.88 0.04 0.00 0.05 0.00 0.00 55.36 54.90 3mv9 s GLN 139 Cb -0.10 -2.25 0.00 0.00 1.10 0.00 0.00 33.01 31.76 3mv9 s GLN 139 CO 0.26 0.57 -0.20 -0.51 -0.55 0.00 0.00 175.29 174.86 3mv9 s LEU 140 N -1.16 1.94 0.10 3.68 1.02 -0.73 -5.02 118.68 118.52 3mv9 s LEU 140 Ca 0.14 -0.47 -0.31 0.00 0.02 0.00 0.00 54.13 53.51 3mv9 s LEU 140 Cb -0.11 -1.21 -0.08 0.00 0.02 0.00 0.00 46.19 44.81 3mv9 s LEU 140 CO 0.04 0.12 1.51 0.00 0.02 0.00 0.00 176.35 178.04 3mv9 s ARG 141 N 0.41 4.25 0.04 1.70 1.70 -1.26 -3.16 118.95 122.62 3mv9 s ARG 141 Ca -0.17 2.22 -0.30 0.00 -0.47 0.00 0.00 55.73 57.01 3mv9 s ARG 141 Cb -0.17 -3.35 -0.07 0.00 -0.57 0.00 0.00 34.95 30.79 3mv9 s ARG 141 CO 0.07 -0.58 1.62 0.34 -1.08 0.00 0.00 175.30 175.66 3mv9 s ASP 142 N 1.55 6.65 0.48 -2.89 -1.08 -1.26 -4.89 116.67 115.24 3mv9 s ASP 142 Ca 0.69 2.39 0.15 0.00 -0.52 0.00 0.00 52.55 55.26 3mv9 s ASP 142 Cb -0.39 -2.56 1.13 0.00 -1.46 0.00 0.00 42.92 39.64 3mv9 s ASP 142 CO 0.31 -0.87 2.06 0.77 0.52 0.00 0.00 175.17 177.96 3mv9 h SER 143 N 8.49 0.00 -4.25 -0.34 4.64 -1.93 -3.42 113.55 116.74 3mv9 h SER 143 Ca -0.41 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.39 3mv9 h SER 143 Cb 1.19 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 63.42 3mv9 h SER 143 CO 0.93 0.10 0.33 -0.75 -0.87 0.00 0.00 176.83 176.57 3mv9 s LYS 144 N -4.83 2.27 0.16 4.77 2.20 -1.26 -4.94 119.74 118.11 3mv9 s LYS 144 Ca -0.04 1.37 -0.25 0.00 -0.36 0.00 0.00 55.97 56.69 3mv9 s LYS 144 Cb 0.16 -1.89 0.03 0.00 -1.51 0.00 0.00 37.83 34.63 3mv9 s LYS 144 CO 0.68 -1.66 1.58 1.03 -0.36 0.00 0.00 175.35 176.62 3mv9 h SER 145 N -0.72 -1.28 -2.01 1.43 0.87 -2.03 -3.35 113.55 106.45 3mv9 h SER 145 Ca -0.45 0.21 -0.56 0.00 -1.23 0.00 0.00 61.79 59.76 3mv9 h SER 145 Cb 1.25 0.58 -0.00 0.00 -0.44 0.00 0.00 62.40 63.79 3mv9 h SER 145 CO 0.51 -0.34 1.49 -0.94 -0.53 0.00 0.00 176.83 177.01 3mv9 s SER 146 N -5.08 5.28 -0.06 6.23 1.04 -1.26 -4.95 113.70 114.90 3mv9 s SER 146 Ca -0.15 1.55 -0.24 0.00 0.48 0.00 0.00 55.95 57.59 3mv9 s SER 146 Cb 0.13 -2.51 -0.03 0.00 0.10 0.00 0.00 66.02 63.70 3mv9 s SER 146 CO 0.67 -2.15 0.75 1.51 0.98 0.00 0.00 173.24 175.00 3mv9 s ASP 147 N 8.83 7.04 -0.02 7.02 -4.77 -1.26 -4.72 116.67 128.80 3mv9 s ASP 147 Ca 0.95 1.25 0.03 0.00 -3.30 0.00 0.00 52.55 51.49 3mv9 s ASP 147 Cb -0.27 -2.44 0.04 0.00 -1.09 0.00 0.00 42.92 39.17 3mv9 s ASP 147 CO 0.32 -0.16 0.95 0.29 0.70 0.00 0.00 175.17 177.28 3mv9 n LYS 148 N 3.89 2.24 0.00 2.11 4.76 -1.26 -4.89 118.16 125.01 3mv9 n LYS 148 Ca 0.00 -1.50 0.00 0.00 -2.87 0.00 0.00 58.31 53.94 3mv9 n LYS 148 Cb 0.51 -0.99 0.00 0.00 -1.84 0.00 0.00 35.03 32.71 3mv9 n LYS 148 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3mv9 n SER 149 N -0.55 0.00 -1.90 4.39 3.41 -1.19 -4.77 113.62 113.02 3mv9 n SER 149 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 3mv9 n SER 149 Cb 0.36 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 3mv9 n SER 149 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 3mv9 n VAL 150 N 0.00 -6.99 -4.13 -3.33 3.14 -1.26 -1.77 118.33 103.99 3mv9 n VAL 150 Ca 0.00 2.34 -0.35 0.00 -2.96 0.00 0.00 64.34 63.36 3mv9 n VAL 150 Cb 0.00 -3.39 -0.09 0.00 -1.06 0.00 0.00 33.84 29.30 3mv9 n VAL 150 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3mv9 s LEU 152 N -0.38 4.68 0.13 0.00 2.96 0.59 -0.99 118.68 125.67 3mv9 s LEU 152 Ca 0.09 -2.73 -0.31 0.00 -0.22 0.00 0.00 54.13 50.96 3mv9 s LEU 152 Cb -0.12 -1.70 -0.09 0.00 0.50 0.00 0.00 46.19 44.78 3mv9 s LEU 152 CO 0.02 -0.32 1.54 0.12 -1.32 0.00 0.00 176.35 176.39 3mv9 s PHE 153 N 0.11 2.99 0.20 5.38 2.19 -1.11 -2.48 117.98 125.26 3mv9 s PHE 153 Ca 0.15 0.65 -0.15 0.00 0.33 0.00 0.00 56.93 57.91 3mv9 s PHE 153 Cb -0.23 -3.88 0.01 0.00 -1.31 0.00 0.00 43.02 37.62 3mv9 s PHE 153 CO -0.03 -3.26 0.47 -0.08 1.83 0.00 0.00 175.22 174.16 3mv9 s THR 154 N 1.42 0.03 -1.64 0.12 -1.32 -0.71 -0.19 115.64 113.34 3mv9 s THR 154 Ca 0.69 -1.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.16 3mv9 s THR 154 Cb -0.41 -1.74 0.00 0.00 -1.51 0.00 0.00 72.50 68.83 3mv9 s THR 154 CO 0.31 -0.14 0.00 0.47 -2.21 0.00 0.00 174.62 173.05 3mv9 n ASP 155 N -0.32 -4.54 -4.47 8.08 10.43 -0.96 -2.08 116.55 122.68 3mv9 n ASP 155 Ca -0.08 0.30 -0.29 0.00 2.57 0.00 0.00 54.79 57.29 3mv9 n ASP 155 Cb 0.62 -4.00 0.15 0.00 1.84 0.00 0.00 41.12 39.73 3mv9 n ASP 155 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 177.20 176.85 3mv9 s PHE 156 N -2.55 2.10 0.72 1.24 -0.12 -1.26 -0.99 117.98 117.12 3mv9 s PHE 156 Ca 0.00 0.58 0.00 0.00 -0.05 0.00 0.00 56.93 57.46 3mv9 s PHE 156 Cb 0.00 -3.72 0.13 0.00 -0.63 0.00 0.00 43.02 38.80 3mv9 s PHE 156 CO 0.00 -2.44 0.99 0.16 -0.05 0.00 0.00 175.22 173.88 3mv9 s ASP 157 N -4.53 4.33 0.23 1.98 3.84 -1.26 -4.38 116.67 116.88 3mv9 s ASP 157 Ca 0.68 -0.47 -0.15 0.00 -0.00 0.00 0.00 52.55 52.61 3mv9 s ASP 157 Cb -0.09 0.13 0.27 0.00 -1.38 0.00 0.00 42.92 41.85 3mv9 s ASP 157 CO 0.52 -1.88 1.58 0.28 -0.00 0.00 0.00 175.17 175.67 3mv9 h SER 158 N -0.50 -0.99 0.30 2.11 0.02 -1.88 -3.09 113.55 109.52 3mv9 h SER 158 Ca -0.35 0.25 -0.08 0.00 -0.84 0.00 0.00 61.79 60.77 3mv9 h SER 158 Cb 1.27 0.57 -0.01 0.00 0.14 0.00 0.00 62.40 64.36 3mv9 h SER 158 CO 0.39 -0.28 -0.35 1.56 -1.14 0.00 0.00 176.83 177.00 3mv9 h GLN 159 N -0.05 0.08 -6.04 3.45 1.08 -1.94 -3.42 115.11 108.27 3mv9 h GLN 159 Ca 0.34 -0.03 -0.60 0.00 -1.45 0.00 0.00 58.65 56.91 3mv9 h GLN 159 Cb 0.58 -0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 27.91 3mv9 h GLN 159 CO -0.82 0.43 0.56 0.95 -0.95 0.00 0.00 178.83 178.99 3mv9 s THR 160 N -4.24 4.60 0.10 -0.54 -4.23 -1.17 -5.02 115.64 105.14 3mv9 s THR 160 Ca -0.03 1.10 0.04 0.00 -1.18 0.00 0.00 61.69 61.62 3mv9 s THR 160 Cb 0.14 -4.32 -0.04 0.00 1.34 0.00 0.00 72.50 69.62 3mv9 s THR 160 CO 0.74 -0.54 0.08 0.20 -0.54 0.00 0.00 174.62 174.55 3mv9 s ASN 161 N 1.90 5.44 -0.35 3.99 -0.87 -1.26 -4.84 114.94 118.96 3mv9 s ASN 161 Ca 0.37 -0.06 -0.19 0.00 -1.57 0.00 0.00 52.86 51.41 3mv9 s ASN 161 Cb -0.12 -1.43 -0.00 0.00 -0.02 0.00 0.00 41.25 39.68 3mv9 s ASN 161 CO 0.19 0.15 0.58 -0.69 -2.57 0.00 0.00 177.10 174.76 3mv9 s VAL 162 N -1.44 4.95 0.32 1.60 1.01 -1.26 -4.41 120.40 121.17 3mv9 s VAL 162 Ca 0.29 0.49 -0.27 0.00 0.00 0.00 0.00 61.98 62.49 3mv9 s VAL 162 Cb -0.12 -4.02 -0.09 0.00 0.00 0.00 0.00 36.38 32.15 3mv9 s VAL 162 CO 0.22 -0.26 1.02 -0.44 0.00 0.00 0.00 175.10 175.64 3mv9 s SER 163 N 1.77 7.18 0.76 3.32 0.01 -1.26 -4.96 113.70 120.52 3mv9 s SER 163 Ca 0.22 2.04 -0.11 0.00 1.31 0.00 0.00 55.95 59.41 3mv9 s SER 163 Cb -0.15 -2.60 0.05 0.00 0.21 0.00 0.00 66.02 63.53 3mv9 s SER 163 CO 0.14 -0.19 1.08 -1.10 0.41 0.00 0.00 173.24 173.58 3mv9 s GLN 164 N -1.90 2.35 -0.05 12.44 -1.52 -1.26 -4.65 119.66 125.07 3mv9 s GLN 164 Ca 0.50 1.02 -0.04 0.00 -1.95 0.00 0.00 55.36 54.89 3mv9 s GLN 164 Cb -0.25 -1.92 -0.04 0.00 -0.22 0.00 0.00 33.01 30.59 3mv9 s GLN 164 CO 0.31 -1.54 0.13 -1.54 -0.25 0.00 0.00 175.29 172.41 3mv9 s SER 165 N -3.57 6.13 0.00 5.90 1.04 -1.26 -4.90 113.70 117.04 3mv9 s SER 165 Ca 0.60 0.33 0.12 0.00 0.48 0.00 0.00 55.95 57.48 3mv9 s SER 165 Cb -0.16 -1.90 0.71 0.00 0.10 0.00 0.00 66.02 64.77 3mv9 s SER 165 CO 0.56 0.32 1.45 0.29 0.98 0.00 0.00 173.24 176.84 3mv9 n LYS 166 N 1.43 0.99 -2.79 4.02 5.02 -1.26 -4.84 118.16 120.72 3mv9 n LYS 166 Ca -0.15 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.74 3mv9 n LYS 166 Cb 0.53 -1.19 -0.05 0.00 -0.02 0.00 0.00 35.03 34.30 3mv9 n LYS 166 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3mv9 s ASP 167 N -1.39 7.51 0.41 4.39 -1.08 -1.26 -4.95 116.67 120.30 3mv9 s ASP 167 Ca 0.18 1.80 0.22 0.00 -0.52 0.00 0.00 52.55 54.23 3mv9 s ASP 167 Cb 0.08 -2.57 0.68 0.00 -1.46 0.00 0.00 42.92 39.65 3mv9 s ASP 167 CO 0.14 0.06 1.72 0.28 0.52 0.00 0.00 175.17 177.89 3mv9 h SER 168 N 4.92 0.00 -0.15 -0.34 0.02 -2.05 -3.28 113.55 112.66 3mv9 h SER 168 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 3mv9 h SER 168 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3mv9 h SER 168 CO 0.70 0.26 0.00 0.47 -1.14 0.00 0.00 176.83 177.12 3mv9 n ASP 169 N -3.31 2.30 -4.33 3.07 9.92 -1.26 -4.91 116.55 118.02 3mv9 n ASP 169 Ca 0.01 -1.84 -0.35 0.00 -0.53 0.00 0.00 54.79 52.08 3mv9 n ASP 169 Cb 0.51 -0.10 -0.14 0.00 -0.64 0.00 0.00 41.12 40.75 3mv9 n ASP 169 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3mv9 s VAL 170 N -0.89 3.37 -0.27 2.53 1.01 -1.24 -4.32 120.40 120.59 3mv9 s VAL 170 Ca 0.12 -0.50 -0.12 0.00 0.00 0.00 0.00 61.98 61.48 3mv9 s VAL 170 Cb 0.06 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 3mv9 s VAL 170 CO 0.09 0.44 0.23 -0.31 0.00 0.00 0.00 175.10 175.54 3mv9 s TYR 171 N 1.31 3.25 -0.26 5.22 2.02 -0.65 -4.74 117.35 123.51 3mv9 s TYR 171 Ca 0.04 0.22 0.02 0.00 -0.37 0.00 0.00 57.07 56.98 3mv9 s TYR 171 Cb -0.14 -2.40 0.06 0.00 -0.40 0.00 0.00 41.96 39.08 3mv9 s TYR 171 CO -0.02 -0.12 -0.07 0.42 -1.57 0.00 0.00 175.55 174.19 3mv9 s ILE 172 N 1.66 1.89 1.06 2.71 1.01 -1.26 -2.15 121.20 126.13 3mv9 s ILE 172 Ca 0.09 -1.52 -0.18 0.00 0.00 0.00 0.00 60.65 59.04 3mv9 s ILE 172 Cb -0.15 -2.10 0.27 0.00 0.01 0.00 0.00 42.46 40.48 3mv9 s ILE 172 CO 0.09 -0.12 0.68 0.35 0.00 0.00 0.00 174.94 175.95 3mv9 n THR 173 N 4.52 0.00 -0.00 2.92 -2.24 -0.24 -4.88 114.28 114.36 3mv9 n THR 173 Ca -0.12 -0.07 -0.22 0.00 -2.27 0.00 0.00 64.05 61.37 3mv9 n THR 173 Cb 0.43 -0.82 -0.14 0.00 -2.10 0.00 0.00 70.33 67.70 3mv9 n THR 173 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 3mv9 h ASP 174 N -3.04 0.37 -5.00 3.42 1.82 -1.91 -3.42 116.42 108.66 3mv9 h ASP 174 Ca -0.30 -0.88 0.00 0.00 -0.39 0.00 0.00 57.03 55.46 3mv9 h ASP 174 Cb 0.98 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.87 3mv9 h ASP 174 CO 0.18 1.78 0.00 2.29 -1.61 0.00 0.00 179.24 181.88 3mv9 n LYS 175 N -3.67 0.00 -3.71 0.28 2.85 -1.25 -4.55 118.16 108.11 3mv9 n LYS 175 Ca -0.31 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 56.94 3mv9 n LYS 175 Cb 0.98 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 35.36 3mv9 n LYS 175 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3mv9 s VAL 177 N -2.75 3.91 -0.02 0.00 1.01 -1.26 -2.72 120.40 118.57 3mv9 s VAL 177 Ca 0.15 -0.94 -0.30 0.00 0.00 0.00 0.00 61.98 60.88 3mv9 s VAL 177 Cb 0.02 -3.14 -0.06 0.00 0.00 0.00 0.00 36.38 33.20 3mv9 s VAL 177 CO -0.00 -0.08 1.57 -0.76 0.00 0.00 0.00 175.10 175.83 3mv9 s LEU 178 N 1.45 4.32 -0.31 3.92 1.02 -0.10 -4.85 118.68 124.13 3mv9 s LEU 178 Ca 0.00 2.23 -0.12 0.00 0.02 0.00 0.00 54.13 56.26 3mv9 s LEU 178 Cb -0.19 -3.55 -0.03 0.00 0.02 0.00 0.00 46.19 42.45 3mv9 s LEU 178 CO 0.03 -0.86 0.21 -0.62 0.02 0.00 0.00 176.35 175.12 3mv9 s ASP 179 N 2.75 5.96 -1.10 2.29 3.68 -1.26 -2.24 116.67 126.73 3mv9 s ASP 179 Ca 0.70 -0.29 -0.06 0.00 2.13 0.00 0.00 52.55 55.04 3mv9 s ASP 179 Cb -0.33 -2.11 0.29 0.00 -1.45 0.00 0.00 42.92 39.32 3mv9 s ASP 179 CO 0.28 -0.16 1.42 0.23 0.13 0.00 0.00 175.17 177.07 3mv9 n MET 180 N 5.07 4.19 -0.38 4.34 2.81 -0.08 -4.80 117.12 128.27 3mv9 n MET 180 Ca -0.13 -4.46 0.29 0.00 -1.81 0.00 0.00 57.70 51.59 3mv9 n MET 180 Cb 0.50 -2.56 0.57 0.00 -0.71 0.00 0.00 33.22 31.03 3mv9 n MET 180 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3mv9 h ARG 181 N 5.78 0.23 -0.02 0.03 3.08 -1.94 0.35 114.38 121.89 3mv9 h ARG 181 Ca 0.21 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3mv9 h ARG 181 Cb 0.68 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.68 3mv9 h ARG 181 CO 1.28 0.15 0.03 0.77 -1.07 0.00 0.00 179.97 181.13 3mv9 h SER 182 N 0.24 0.00 0.00 7.04 0.02 -1.95 -3.16 113.55 115.74 3mv9 h SER 182 Ca 0.72 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.64 3mv9 h SER 182 Cb 2.03 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 64.51 3mv9 h SER 182 CO -0.40 0.00 -0.52 0.23 -1.14 0.00 0.00 176.83 175.00 3mv9 n MET 183 N -3.45 0.18 -0.89 3.45 2.81 0.12 -4.99 117.12 114.35 3mv9 n MET 183 Ca -0.03 -1.38 -0.02 0.00 -1.81 0.00 0.00 57.70 54.46 3mv9 n MET 183 Cb 0.11 -0.57 -0.01 0.00 -0.71 0.00 0.00 33.22 32.05 3mv9 n MET 183 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3mv9 n ASP 184 N -0.12 -4.67 -4.38 7.83 2.03 -0.73 -4.91 116.55 111.61 3mv9 n ASP 184 Ca 0.03 0.06 -0.40 0.00 0.52 0.00 0.00 54.79 55.00 3mv9 n ASP 184 Cb 0.76 -3.02 -0.11 0.00 -0.72 0.00 0.00 41.12 38.03 3mv9 n ASP 184 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3mv9 s PHE 185 N -1.02 3.23 0.55 -0.67 5.36 -1.12 -4.97 117.98 119.35 3mv9 s PHE 185 Ca 0.00 -0.91 -0.02 0.00 -0.96 0.00 0.00 56.93 55.04 3mv9 s PHE 185 Cb 0.00 -2.42 0.02 0.00 -0.34 0.00 0.00 43.02 40.28 3mv9 s PHE 185 CO 0.00 -0.62 0.81 0.15 -1.46 0.00 0.00 175.22 174.10 3mv9 s LYS 186 N 1.56 2.72 -0.29 10.12 1.02 -1.26 -0.90 119.74 132.70 3mv9 s LYS 186 Ca 0.02 -0.46 -0.19 0.00 0.02 0.00 0.00 55.97 55.36 3mv9 s LYS 186 Cb -0.19 -2.42 0.14 0.00 -0.52 0.00 0.00 37.83 34.85 3mv9 s LYS 186 CO 0.06 -0.66 1.01 -1.54 -0.92 0.00 0.00 175.35 173.30 3mv9 s SER 187 N -4.35 -0.48 0.90 2.83 1.04 -0.95 -4.96 113.70 107.73 3mv9 s SER 187 Ca 0.54 0.80 -0.12 0.00 0.48 0.00 0.00 55.95 57.66 3mv9 s SER 187 Cb -0.10 1.08 0.18 0.00 0.10 0.00 0.00 66.02 67.28 3mv9 s SER 187 CO 0.41 -0.13 1.24 0.20 0.98 0.00 0.00 173.24 175.93 3mv9 s ASN 188 N 1.00 3.41 0.00 7.02 0.01 -1.26 -0.92 114.94 124.20 3mv9 s ASN 188 Ca -0.05 0.07 0.00 0.00 -0.71 0.00 0.00 52.86 52.17 3mv9 s ASN 188 Cb -0.04 -0.19 0.00 0.00 0.41 0.00 0.00 41.25 41.43 3mv9 s ASN 188 CO -0.13 -2.52 0.00 -1.54 -1.51 0.00 0.00 177.10 171.40 3mv9 n SER 189 N -3.52 0.00 -4.24 -1.22 3.41 -1.10 -2.27 113.62 104.67 3mv9 n SER 189 Ca 0.15 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.62 3mv9 n SER 189 Cb 0.60 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.45 3mv9 n SER 189 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mv9 s ALA 190 N -2.00 1.52 0.03 7.33 0.00 0.73 -2.10 121.76 127.28 3mv9 s ALA 190 Ca 0.00 -1.80 0.01 0.00 0.00 0.00 0.00 51.96 50.18 3mv9 s ALA 190 Cb 0.00 1.20 -0.02 0.00 0.00 0.00 0.00 23.12 24.29 3mv9 s ALA 190 CO 0.00 -0.52 -0.06 0.08 0.00 0.00 0.00 175.76 175.26 3mv9 s VAL 191 N -3.90 0.38 -0.22 0.00 1.01 -1.26 -2.77 120.40 113.64 3mv9 s VAL 191 Ca 0.38 -0.99 -0.08 0.00 0.00 0.00 0.00 61.98 61.29 3mv9 s VAL 191 Cb 0.07 -0.47 0.09 0.00 0.00 0.00 0.00 36.38 36.07 3mv9 s VAL 191 CO 0.13 -0.41 0.47 0.00 0.00 0.00 0.00 175.10 175.30 3mv9 s ALA 192 N -1.37 -1.34 0.39 5.51 0.00 -0.16 -1.08 121.76 123.71 3mv9 s ALA 192 Ca -0.12 1.70 0.05 0.00 0.00 0.00 0.00 51.96 53.60 3mv9 s ALA 192 Cb -0.10 -1.35 -0.02 0.00 0.00 0.00 0.00 23.12 21.64 3mv9 s ALA 192 CO -0.00 -0.70 0.19 1.67 0.00 0.00 0.00 175.76 176.92 3mv9 s TRP 193 N 2.44 1.77 0.00 0.00 -2.14 -0.91 0.59 118.94 120.68 3mv9 s TRP 193 Ca -0.04 -1.45 0.00 0.00 2.66 0.00 0.00 56.10 57.27 3mv9 s TRP 193 Cb -0.11 -0.99 0.00 0.00 -3.10 0.00 0.00 33.47 29.27 3mv9 s TRP 193 CO -0.14 -0.53 0.00 0.45 -2.66 0.00 0.00 176.95 174.07 3mv9 n SER 194 N -1.44 0.00 -3.29 -2.66 2.88 -1.26 -1.63 113.62 106.22 3mv9 n SER 194 Ca -0.01 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.30 3mv9 n SER 194 Cb 0.64 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 64.02 3mv9 n SER 194 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 3mv9 s ASN 195 N -4.00 0.96 1.17 -3.46 0.01 -1.26 -5.05 114.94 103.31 3mv9 s ASN 195 Ca 0.00 -2.77 0.00 0.00 -0.71 0.00 0.00 52.86 49.38 3mv9 s ASN 195 Cb 0.00 -0.01 0.00 0.00 0.41 0.00 0.00 41.25 41.65 3mv9 s ASN 195 CO 0.00 -0.16 0.00 1.17 -1.51 0.00 0.00 177.10 176.60 3mv9 n LYS 196 N 2.94 0.00 -1.41 -0.60 4.81 -1.26 -4.68 118.16 117.96 3mv9 n LYS 196 Ca 0.27 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.29 3mv9 n LYS 196 Cb 0.49 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.55 3mv9 n LYS 196 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3mv9 n SER 197 N 4.44 -1.44 -0.29 3.14 2.88 -1.26 -0.54 113.62 120.55 3mv9 n SER 197 Ca 0.00 0.87 -0.04 0.00 -1.33 0.00 0.00 58.87 58.37 3mv9 n SER 197 Cb 0.00 -1.06 -0.02 0.00 -0.75 0.00 0.00 64.21 62.39 3mv9 n SER 197 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 3mv9 n ASP 198 N 1.50 -4.93 -3.47 -3.46 -0.08 -1.26 -4.94 116.55 99.91 3mv9 n ASP 198 Ca 0.11 0.09 -0.24 0.00 -1.51 0.00 0.00 54.79 53.25 3mv9 n ASP 198 Cb 0.40 -2.76 -0.12 0.00 2.34 0.00 0.00 41.12 40.98 3mv9 n ASP 198 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 3mv9 s PHE 199 N -1.65 0.03 0.00 -0.67 5.36 0.30 -4.99 117.98 116.36 3mv9 s PHE 199 Ca 0.00 -0.67 0.00 0.00 -0.96 0.00 0.00 56.93 55.30 3mv9 s PHE 199 Cb 0.00 -0.72 0.00 0.00 -0.34 0.00 0.00 43.02 41.96 3mv9 s PHE 199 CO 0.00 -0.87 0.54 0.00 -1.46 0.00 0.00 175.22 173.43 3mv9 n ALA 200 N 5.13 2.04 0.00 11.12 0.00 -1.26 -4.60 120.51 132.93 3mv9 n ALA 200 Ca -0.02 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.87 3mv9 n ALA 200 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 3mv9 n ALA 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mv9 n ALA 202 N 0.00 1.62 -1.71 0.00 0.00 -1.26 -1.71 120.51 117.45 3mv9 n ALA 202 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3mv9 n ALA 202 Cb 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.42 3mv9 n ALA 202 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3mv9 n ASN 203 N -0.73 0.00 0.01 0.00 3.02 -1.26 -4.91 115.26 111.39 3mv9 n ASN 203 Ca 0.01 -1.51 -0.13 0.00 -0.03 0.00 0.00 54.58 52.92 3mv9 n ASN 203 Cb 0.01 -0.10 -0.09 0.00 -0.61 0.00 0.00 39.78 38.98 3mv9 n ASN 203 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mv9 h ALA 204 N 0.00 -0.05 -0.45 5.41 0.00 -1.72 -3.21 119.26 119.24 3mv9 h ALA 204 Ca 0.00 -0.22 -0.40 0.00 0.00 0.00 0.00 54.91 54.29 3mv9 h ALA 204 Cb 1.21 0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.87 3mv9 h ALA 204 CO 0.00 -0.31 0.32 1.19 0.00 0.00 0.00 179.25 180.45 3mv9 n PHE 205 N -4.90 1.40 0.22 0.00 3.72 -1.26 -4.63 117.46 112.00 3mv9 n PHE 205 Ca -0.08 -1.89 0.12 0.00 -0.05 0.00 0.00 57.45 55.54 3mv9 n PHE 205 Cb 0.24 -1.24 0.20 0.00 -0.94 0.00 0.00 39.48 37.74 3mv9 n PHE 205 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 3mv9 h ASN 206 N 2.43 0.00 0.98 4.37 -1.24 -1.93 -3.10 115.58 117.08 3mv9 h ASN 206 Ca 0.33 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.34 3mv9 h ASN 206 Cb 0.87 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.92 3mv9 h ASN 206 CO 0.76 0.05 -0.90 0.78 -1.29 0.00 0.00 177.43 176.82 3mv9 h ASN 207 N 0.00 0.00 -3.94 1.15 2.35 -1.89 -3.47 115.58 109.77 3mv9 h ASN 207 Ca -0.00 -0.06 -0.46 0.00 -0.55 0.00 0.00 56.30 55.23 3mv9 h ASN 207 Cb 0.99 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.34 3mv9 h ASN 207 CO 0.01 0.03 0.35 -0.44 -1.65 0.00 0.00 177.43 175.72 3mv9 s SER 208 N -5.12 7.19 -0.57 5.81 0.01 -1.17 -4.82 113.70 115.02 3mv9 s SER 208 Ca 0.01 1.80 -0.27 0.00 1.31 0.00 0.00 55.95 58.80 3mv9 s SER 208 Cb 0.10 -2.57 -0.00 0.00 0.21 0.00 0.00 66.02 63.76 3mv9 s SER 208 CO 0.77 -0.17 1.65 -0.63 0.41 0.00 0.00 173.24 175.27 3mv9 s ILE 209 N -1.79 3.54 -0.06 1.44 1.01 -1.26 -4.97 121.20 119.11 3mv9 s ILE 209 Ca 0.54 0.41 -0.10 0.00 0.00 0.00 0.00 60.65 61.50 3mv9 s ILE 209 Cb -0.16 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.10 3mv9 s ILE 209 CO 0.20 -1.03 0.26 -0.51 0.00 0.00 0.00 174.94 173.87 3mv9 s ILE 210 N 7.50 5.29 0.19 2.92 2.07 -1.26 -4.70 121.20 133.22 3mv9 s ILE 210 Ca 0.61 0.46 -0.33 0.00 -1.41 0.00 0.00 60.65 59.98 3mv9 s ILE 210 Cb -0.13 -3.54 -0.14 0.00 0.13 0.00 0.00 42.46 38.78 3mv9 s ILE 210 CO 0.23 0.57 1.50 -2.65 -1.91 0.00 0.00 174.94 172.68 3mv9 n PRO 211 N 1.82 2.07 -0.22 3.50 -0.02 -1.26 -4.86 135.00 136.03 3mv9 n PRO 211 Ca -0.17 0.74 0.30 0.00 -2.02 0.00 0.00 63.50 62.35 3mv9 n PRO 211 Cb 0.54 -2.46 0.71 0.00 -0.02 0.00 0.00 33.50 32.27 3mv9 n PRO 211 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3mv9 h GLU 212 N 5.11 0.03 -0.71 -0.52 5.08 -2.01 -2.39 114.58 119.18 3mv9 h GLU 212 Ca -0.45 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.88 3mv9 h GLU 212 Cb 1.27 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 3mv9 h GLU 212 CO 0.83 0.02 0.04 -0.40 -1.00 0.00 0.00 179.01 178.50 3mv9 n ASP 213 N -4.27 4.52 -4.67 1.42 5.75 -1.26 -4.99 116.55 113.04 3mv9 n ASP 213 Ca 0.20 -2.74 -0.42 0.00 -0.01 0.00 0.00 54.79 51.82 3mv9 n ASP 213 Cb 1.02 -0.65 -0.03 0.00 -1.03 0.00 0.00 41.12 40.43 3mv9 n ASP 213 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3mv9 s THR 214 N -2.35 3.95 -0.36 2.12 2.01 -0.90 -4.83 115.64 115.29 3mv9 s THR 214 Ca 0.41 1.23 -0.28 0.00 0.31 0.00 0.00 61.69 63.36 3mv9 s THR 214 Cb 0.32 -3.79 -0.02 0.00 0.01 0.00 0.00 72.50 69.02 3mv9 s THR 214 CO 0.12 -0.07 1.78 0.12 -0.69 0.00 0.00 174.62 175.88 3mv9 s PHE 215 N 3.18 1.83 -0.93 4.92 5.36 0.15 -4.92 117.98 127.58 3mv9 s PHE 215 Ca 0.62 0.65 -0.02 0.00 -0.96 0.00 0.00 56.93 57.21 3mv9 s PHE 215 Cb -0.27 -4.13 0.23 0.00 -0.34 0.00 0.00 43.02 38.50 3mv9 s PHE 215 CO 0.22 -2.83 0.85 1.19 -1.46 0.00 0.00 175.22 173.19 3mv9 n PHE 216 N 10.43 4.28 -1.49 10.12 3.01 -1.26 -2.82 117.46 139.72 3mv9 n PHE 216 Ca 0.22 -4.06 -0.40 0.00 1.01 0.00 0.00 57.45 54.22 3mv9 n PHE 216 Cb 0.47 -1.20 0.02 0.00 -0.01 0.00 0.00 39.48 38.76 3mv9 n PHE 216 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3mv9 n PRO 217 N 2.26 0.72 0.00 -1.08 -0.04 -1.26 -5.08 135.00 130.52 3mv9 n PRO 217 Ca 0.22 0.27 0.13 0.00 -0.04 0.00 0.00 63.50 64.08 3mv9 n PRO 217 Cb 0.37 -1.69 0.76 0.00 -0.04 0.00 0.00 33.50 32.90 3mv9 n PRO 217 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33