#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mff s VAL 12 N 0.00 2.57 -0.11 5.09 1.01 -1.26 -2.40 120.40 125.29 3mff s VAL 12 Ca 0.00 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.20 3mff s VAL 12 Cb 0.00 -2.07 -0.00 0.00 0.00 0.00 0.00 36.38 34.31 3mff s VAL 12 CO 0.00 0.53 -0.21 -0.13 0.00 0.00 0.00 175.10 175.28 3mff s ARG 13 N 0.67 3.11 0.16 2.72 0.52 0.84 -4.33 118.95 122.63 3mff s ARG 13 Ca -0.08 -0.84 0.07 0.00 -0.52 0.00 0.00 55.73 54.36 3mff s ARG 13 Cb -0.16 -2.39 -0.04 0.00 0.52 0.00 0.00 34.95 32.88 3mff s ARG 13 CO 0.02 0.14 -0.04 -0.65 0.02 0.00 0.00 175.30 174.80 3mff s GLN 14 N 0.45 2.29 -0.01 3.54 -0.21 -1.26 -0.43 119.66 124.03 3mff s GLN 14 Ca -0.15 -1.11 -0.12 0.00 0.02 0.00 0.00 55.36 53.99 3mff s GLN 14 Cb -0.17 -2.31 0.02 0.00 1.00 0.00 0.00 33.01 31.54 3mff s GLN 14 CO 0.06 0.46 0.26 -1.54 -2.12 0.00 0.00 175.29 172.41 3mff s SER 15 N -2.76 -0.12 0.91 5.90 1.04 -0.57 -4.66 113.70 113.44 3mff s SER 15 Ca 0.26 -0.02 -0.12 0.00 0.48 0.00 0.00 55.95 56.55 3mff s SER 15 Cb -0.10 0.28 0.14 0.00 0.10 0.00 0.00 66.02 66.44 3mff s SER 15 CO 0.17 -0.43 1.15 -2.16 0.98 0.00 0.00 173.24 172.95 3mff s PRO 16 N -1.38 1.17 0.44 4.02 0.04 -1.26 -1.66 135.00 136.36 3mff s PRO 16 Ca -0.14 0.24 0.11 0.00 0.04 0.00 0.00 61.00 61.26 3mff s PRO 16 Cb -0.06 -1.85 0.99 0.00 0.04 0.00 0.00 34.50 33.63 3mff s PRO 16 CO 0.03 -2.17 2.05 1.96 0.04 0.00 0.00 177.00 178.91 3mff h GLN 17 N -1.48 0.39 -2.62 4.56 4.20 -1.84 -3.41 115.11 114.93 3mff h GLN 17 Ca -0.50 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.17 3mff h GLN 17 Cb 1.33 -0.09 -0.15 0.00 0.30 0.00 0.00 27.48 28.87 3mff h GLN 17 CO 0.61 0.26 0.23 -1.54 -0.67 0.00 0.00 178.83 177.72 3mff s SER 18 N -6.60 -0.58 -0.19 1.46 1.04 -1.26 -1.55 113.70 106.03 3mff s SER 18 Ca -0.07 0.23 -0.16 0.00 0.48 0.00 0.00 55.95 56.43 3mff s SER 18 Cb 0.18 0.56 0.05 0.00 0.10 0.00 0.00 66.02 66.91 3mff s SER 18 CO 0.73 -0.82 0.48 -0.22 0.98 0.00 0.00 173.24 174.39 3mff s LEU 19 N -2.22 0.05 -0.08 2.42 2.96 0.28 -4.90 118.68 117.19 3mff s LEU 19 Ca -0.03 0.99 0.05 0.00 -0.22 0.00 0.00 54.13 54.92 3mff s LEU 19 Cb -0.01 1.65 -0.00 0.00 0.50 0.00 0.00 46.19 48.33 3mff s LEU 19 CO -0.05 -0.18 -0.24 -0.89 -1.32 0.00 0.00 176.35 173.67 3mff s THR 20 N 0.52 2.00 0.14 3.68 2.01 -1.26 -1.32 115.64 121.41 3mff s THR 20 Ca -0.02 -1.00 0.02 0.00 0.31 0.00 0.00 61.69 60.99 3mff s THR 20 Cb -0.04 -1.72 -0.04 0.00 0.01 0.00 0.00 72.50 70.70 3mff s THR 20 CO -0.03 0.55 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.73 3mff s VAL 21 N 0.18 0.69 -0.05 3.82 1.01 -0.17 -4.99 120.40 120.89 3mff s VAL 21 Ca -0.14 -1.96 -0.04 0.00 0.00 0.00 0.00 61.98 59.84 3mff s VAL 21 Cb -0.16 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 3mff s VAL 21 CO 0.07 -0.67 0.15 0.26 0.00 0.00 0.00 175.10 174.91 3mff s TRP 22 N -3.64 3.53 0.14 5.22 0.52 -1.26 -0.55 118.94 122.90 3mff s TRP 22 Ca 0.18 0.40 -0.34 0.00 0.02 0.00 0.00 56.10 56.36 3mff s TRP 22 Cb 0.06 -1.86 -0.17 0.00 -1.15 0.00 0.00 33.47 30.35 3mff s TRP 22 CO -0.00 0.66 1.09 -1.91 0.02 0.00 0.00 176.95 176.81 3mff n GLU 23 N 1.36 0.84 0.00 4.98 2.13 0.07 -1.46 120.64 128.56 3mff n GLU 23 Ca -0.14 0.30 0.00 0.00 0.66 0.00 0.00 57.16 57.97 3mff n GLU 23 Cb 0.53 -1.75 0.00 0.00 0.27 0.00 0.00 31.44 30.49 3mff n GLU 23 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3mff n GLY 24 N 1.97 2.84 3.82 8.31 0.00 -0.29 -4.76 105.19 117.06 3mff n GLY 24 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3mff n GLY 24 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mff s GLU 25 N -0.05 2.84 -0.17 1.61 2.02 -0.53 -3.72 118.70 120.70 3mff s GLU 25 Ca 0.00 0.95 -0.24 0.00 0.02 0.00 0.00 54.97 55.70 3mff s GLU 25 Cb 0.00 -1.98 -0.02 0.00 0.10 0.00 0.00 34.13 32.23 3mff s GLU 25 CO 0.00 -1.17 0.76 0.99 0.02 0.00 0.00 175.26 175.86 3mff s THR 26 N -3.04 4.94 -0.09 3.63 2.01 -1.26 -1.14 115.64 120.68 3mff s THR 26 Ca 0.58 1.49 -0.15 0.00 0.31 0.00 0.00 61.69 63.92 3mff s THR 26 Cb -0.14 -4.07 -0.05 0.00 0.01 0.00 0.00 72.50 68.25 3mff s THR 26 CO 0.55 0.07 0.37 -0.89 -0.69 0.00 0.00 174.62 174.03 3mff s THR 27 N 1.95 5.19 -0.13 -0.82 2.01 -0.03 -4.94 115.64 118.86 3mff s THR 27 Ca 0.35 0.73 0.01 0.00 0.31 0.00 0.00 61.69 63.10 3mff s THR 27 Cb -0.16 -3.69 0.02 0.00 0.01 0.00 0.00 72.50 68.67 3mff s THR 27 CO 0.12 0.46 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.72 3mff s ILE 28 N -0.17 1.67 -0.19 1.82 1.01 -1.26 -0.52 121.20 123.56 3mff s ILE 28 Ca 0.21 -0.72 -0.01 0.00 0.00 0.00 0.00 60.65 60.13 3mff s ILE 28 Cb -0.15 -1.53 0.00 0.00 0.01 0.00 0.00 42.46 40.80 3mff s ILE 28 CO 0.09 0.48 -0.12 -0.76 0.00 0.00 0.00 174.94 174.62 3mff s LEU 29 N 1.15 2.53 0.10 2.97 1.43 0.98 -4.87 118.68 122.97 3mff s LEU 29 Ca -0.02 -0.50 -0.06 0.00 -1.03 0.00 0.00 54.13 52.53 3mff s LEU 29 Cb -0.14 -1.61 -0.05 0.00 0.03 0.00 0.00 46.19 44.42 3mff s LEU 29 CO -0.06 0.02 0.34 0.20 0.23 0.00 0.00 176.35 177.08 3mff s ASN 30 N 1.23 6.51 0.01 2.29 0.01 -0.67 -0.74 114.94 123.58 3mff s ASN 30 Ca 0.03 0.59 -0.11 0.00 -0.71 0.00 0.00 52.86 52.65 3mff s ASN 30 Cb -0.14 -2.09 0.01 0.00 0.41 0.00 0.00 41.25 39.44 3mff s ASN 30 CO -0.06 0.12 0.23 0.00 -1.51 0.00 0.00 177.10 175.89 3mff s SER 32 N -1.67 -0.27 0.00 0.00 1.04 0.43 -1.91 113.70 111.33 3mff s SER 32 Ca -0.10 0.00 -0.01 0.00 0.48 0.00 0.00 55.95 56.32 3mff s SER 32 Cb -0.04 0.41 -0.01 0.00 0.10 0.00 0.00 66.02 66.48 3mff s SER 32 CO 0.00 -0.64 0.02 -0.72 0.98 0.00 0.00 173.24 172.88 3mff s TYR 33 N -2.36 0.08 -0.14 5.02 -0.85 -1.03 -0.11 117.35 117.96 3mff s TYR 33 Ca -0.06 -0.16 0.17 0.00 -0.52 0.00 0.00 57.07 56.50 3mff s TYR 33 Cb -0.01 -0.07 -0.06 0.00 0.38 0.00 0.00 41.96 42.20 3mff s TYR 33 CO -0.02 -0.11 1.04 1.05 -1.52 0.00 0.00 175.55 176.00 3mff h GLU 34 N 5.40 0.00 -5.36 -3.49 -0.00 -1.82 -3.46 114.58 105.85 3mff h GLU 34 Ca -0.28 0.00 -0.66 0.00 -0.00 0.00 0.00 59.36 58.43 3mff h GLU 34 Cb 1.21 0.00 -0.15 0.00 -0.00 0.00 0.00 28.75 29.80 3mff h GLU 34 CO 0.45 0.33 0.09 1.21 -0.00 0.00 0.00 179.01 181.10 3mff s ASN 35 N -5.96 6.32 0.00 3.06 3.84 -1.26 -4.91 114.94 116.02 3mff s ASN 35 Ca -0.00 -0.35 0.09 0.00 0.21 0.00 0.00 52.86 52.81 3mff s ASN 35 Cb 0.08 -2.31 0.54 0.00 -0.55 0.00 0.00 41.25 39.02 3mff s ASN 35 CO 0.79 -0.75 1.23 -1.54 -2.79 0.00 0.00 177.10 174.04 3mff n SER 36 N 6.19 0.00 -0.73 -4.21 3.41 -1.26 -2.41 113.62 114.61 3mff n SER 36 Ca -0.02 -1.44 0.12 0.00 -0.26 0.00 0.00 58.87 57.27 3mff n SER 36 Cb 0.48 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.63 3mff n SER 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mff n ALA 37 N -0.66 2.70 -1.85 7.33 0.00 -1.26 -4.90 120.51 121.87 3mff n ALA 37 Ca 0.07 -0.61 -0.41 0.00 0.00 0.00 0.00 53.44 52.49 3mff n ALA 37 Cb 0.03 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 3mff n ALA 37 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3mff s PHE 38 N -2.11 3.20 0.00 0.00 0.08 -1.01 -3.88 117.98 114.27 3mff s PHE 38 Ca 0.29 1.38 0.00 0.00 0.12 0.00 0.00 56.93 58.72 3mff s PHE 38 Cb 0.20 -3.59 0.00 0.00 -0.57 0.00 0.00 43.02 39.05 3mff s PHE 38 CO 0.37 -1.68 0.09 -0.40 -0.10 0.00 0.00 175.22 173.50 3mff n ASP 39 N 1.51 0.07 -3.74 1.36 5.68 0.64 -4.85 116.55 117.23 3mff n ASP 39 Ca 0.02 -1.01 -0.14 0.00 -0.50 0.00 0.00 54.79 53.17 3mff n ASP 39 Cb 0.42 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.26 3mff n ASP 39 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3mff s TYR 40 N -0.01 -0.17 -0.42 2.11 5.04 -0.06 -0.31 117.35 123.53 3mff s TYR 40 Ca 0.00 0.49 0.02 0.00 -2.44 0.00 0.00 57.07 55.14 3mff s TYR 40 Cb 0.00 -0.09 0.15 0.00 0.35 0.00 0.00 41.96 42.37 3mff s TYR 40 CO 0.00 -0.17 0.27 -0.06 -1.34 0.00 0.00 175.55 174.25 3mff s PHE 41 N 1.23 1.47 0.24 4.97 0.08 -0.17 -1.04 117.98 124.76 3mff s PHE 41 Ca -0.09 -2.20 -0.14 0.00 0.12 0.00 0.00 56.93 54.63 3mff s PHE 41 Cb -0.12 -1.40 -0.08 0.00 -0.57 0.00 0.00 43.02 40.85 3mff s PHE 41 CO -0.06 -0.79 0.63 -1.25 -0.10 0.00 0.00 175.22 173.65 3mff s PRO 42 N 0.40 3.97 -0.15 0.24 0.04 -1.16 -2.37 135.00 135.97 3mff s PRO 42 Ca 0.22 0.53 -0.04 0.00 0.04 0.00 0.00 61.00 61.75 3mff s PRO 42 Cb -0.16 -2.68 -0.03 0.00 0.04 0.00 0.00 34.50 31.67 3mff s PRO 42 CO -0.05 0.32 -0.02 -1.58 0.04 0.00 0.00 177.00 175.71 3mff s TRP 43 N -1.74 3.08 -0.10 0.56 0.52 0.11 -1.16 118.94 120.20 3mff s TRP 43 Ca 0.47 -0.16 -0.02 0.00 0.02 0.00 0.00 56.10 56.41 3mff s TRP 43 Cb -0.13 -1.95 -0.03 0.00 -1.15 0.00 0.00 33.47 30.22 3mff s TRP 43 CO 0.19 0.08 -0.02 0.71 0.02 0.00 0.00 176.95 177.93 3mff s TYR 44 N 0.16 3.08 -0.16 -1.98 2.02 0.59 -0.54 117.35 120.52 3mff s TYR 44 Ca -0.00 0.05 -0.02 0.00 -0.37 0.00 0.00 57.07 56.72 3mff s TYR 44 Cb -0.13 -1.82 -0.02 0.00 -0.40 0.00 0.00 41.96 39.59 3mff s TYR 44 CO 0.02 0.32 -0.07 -1.14 -1.57 0.00 0.00 175.55 173.12 3mff s GLN 45 N -0.57 3.49 -0.28 -0.62 0.74 0.17 -0.71 119.66 121.89 3mff s GLN 45 Ca 0.09 -0.61 0.02 0.00 0.05 0.00 0.00 55.36 54.92 3mff s GLN 45 Cb -0.12 -2.84 0.07 0.00 1.10 0.00 0.00 33.01 31.22 3mff s GLN 45 CO 0.02 0.11 -0.03 -1.14 -0.55 0.00 0.00 175.29 173.71 3mff s GLN 46 N 0.66 1.68 0.58 1.67 0.74 -0.30 -0.10 119.66 124.60 3mff s GLN 46 Ca -0.04 -1.35 -0.15 0.00 0.05 0.00 0.00 55.36 53.87 3mff s GLN 46 Cb -0.15 -2.79 -0.05 0.00 1.10 0.00 0.00 33.01 31.12 3mff s GLN 46 CO 0.02 -0.72 1.04 -0.06 -0.55 0.00 0.00 175.29 175.02 3mff s PHE 47 N 1.19 3.15 0.23 1.67 0.08 -1.26 -1.36 117.98 121.68 3mff s PHE 47 Ca -0.01 1.48 -0.32 0.00 0.12 0.00 0.00 56.93 58.21 3mff s PHE 47 Cb -0.19 -2.93 -0.13 0.00 -0.57 0.00 0.00 43.02 39.20 3mff s PHE 47 CO -0.08 -0.90 1.44 -2.30 -0.10 0.00 0.00 175.22 173.28 3mff n PRO 48 N -2.01 2.07 -0.96 0.24 -0.02 -1.26 -1.65 135.00 131.41 3mff n PRO 48 Ca 0.08 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 3mff n PRO 48 Cb 0.53 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 3mff n PRO 48 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mff n GLY 49 N 2.36 0.33 3.54 -1.23 0.00 -1.26 -5.00 105.19 103.93 3mff n GLY 49 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 3mff n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mff s GLU 50 N -0.81 1.81 0.57 1.61 2.02 -0.66 -5.15 118.70 118.10 3mff s GLU 50 Ca 0.00 -1.96 -0.14 0.00 0.02 0.00 0.00 54.97 52.89 3mff s GLU 50 Cb 0.00 -1.60 -0.05 0.00 0.10 0.00 0.00 34.13 32.57 3mff s GLU 50 CO 0.00 0.08 1.01 0.20 0.02 0.00 0.00 175.26 176.57 3mff s GLY 51 N -3.61 1.89 0.74 -1.39 0.00 -1.26 -4.62 107.32 99.08 3mff s GLY 51 Ca 0.33 0.10 -0.14 0.00 0.00 0.00 0.00 44.72 45.00 3mff s GLY 51 CO 0.16 0.38 1.19 -4.14 0.00 0.00 0.00 173.10 170.69 3mff s PRO 52 N -4.55 2.08 -0.02 2.90 0.02 -1.26 -4.53 135.00 129.64 3mff s PRO 52 Ca 0.58 1.70 -0.01 0.00 0.02 0.00 0.00 61.00 63.29 3mff s PRO 52 Cb -0.11 -1.83 0.01 0.00 0.02 0.00 0.00 34.50 32.58 3mff s PRO 52 CO 0.42 -1.87 0.04 0.00 -0.33 0.00 0.00 177.00 175.26 3mff s ALA 53 N -2.10 -0.07 0.11 -1.55 0.00 0.86 -4.91 121.76 114.11 3mff s ALA 53 Ca 0.73 0.16 -0.32 0.00 0.00 0.00 0.00 51.96 52.52 3mff s ALA 53 Cb -0.28 -0.11 -0.12 0.00 0.00 0.00 0.00 23.12 22.62 3mff s ALA 53 CO 0.47 -0.04 1.77 -0.11 0.00 0.00 0.00 175.76 177.84 3mff n LEU 54 N 3.31 3.70 -0.09 0.00 7.94 -1.26 0.42 117.00 131.01 3mff n LEU 54 Ca -0.15 1.02 -0.17 0.00 -1.11 0.00 0.00 56.01 55.59 3mff n LEU 54 Cb 0.58 -1.49 -0.07 0.00 0.53 0.00 0.00 43.42 42.97 3mff n LEU 54 CO 0.24 0.02 -1.10 -0.11 -1.11 0.00 0.00 177.39 175.33 3mff n LEU 55 N 5.05 1.86 -3.62 -1.96 7.94 0.30 -4.85 117.00 121.72 3mff n LEU 55 Ca 0.18 0.12 -0.07 0.00 -1.11 0.00 0.00 56.01 55.13 3mff n LEU 55 Cb 0.34 -0.56 -0.06 0.00 0.53 0.00 0.00 43.42 43.67 3mff n LEU 55 CO 0.66 0.52 0.94 -0.51 -1.11 0.00 0.00 177.39 177.89 3mff s ILE 56 N -2.34 0.00 0.03 1.96 2.07 -1.18 -5.03 121.20 116.72 3mff s ILE 56 Ca -0.25 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 58.96 3mff s ILE 56 Cb 0.08 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.66 3mff s ILE 56 CO 0.34 0.00 0.04 0.00 -1.91 0.00 0.00 174.94 173.41 3mff s ALA 57 N -0.49 0.09 0.07 1.50 0.00 -1.26 0.09 121.76 121.76 3mff s ALA 57 Ca 0.04 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.33 3mff s ALA 57 Cb -0.03 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.28 3mff s ALA 57 CO -0.06 -0.28 -0.06 -1.50 0.00 0.00 0.00 175.76 173.85 3mff s ILE 58 N -2.53 0.52 0.04 0.00 2.07 -1.00 -4.96 121.20 115.34 3mff s ILE 58 Ca -0.06 -1.57 0.00 0.00 -1.41 0.00 0.00 60.65 57.62 3mff s ILE 58 Cb -0.02 -1.21 -0.04 0.00 0.13 0.00 0.00 42.46 41.32 3mff s ILE 58 CO -0.04 -0.71 0.13 -0.13 -1.91 0.00 0.00 174.94 172.27 3mff s ARG 59 N -2.96 3.16 0.47 3.50 1.81 -1.26 -1.00 118.95 122.67 3mff s ARG 59 Ca 0.02 -0.51 0.33 0.00 -1.72 0.00 0.00 55.73 53.86 3mff s ARG 59 Cb -0.00 -2.90 1.46 0.00 -0.45 0.00 0.00 34.95 33.06 3mff s ARG 59 CO -0.04 0.62 1.65 1.03 -0.68 0.00 0.00 175.30 177.88 3mff h SER 60 N 3.56 0.19 0.33 0.23 0.87 -1.00 -0.43 113.55 117.30 3mff h SER 60 Ca -0.47 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 3mff h SER 60 Cb 1.17 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 3mff h SER 60 CO 0.68 -0.11 0.00 0.55 -0.53 0.00 0.00 176.83 177.42 3mff n VAL 61 N -4.51 0.36 -4.62 2.23 3.14 -1.26 -4.79 118.33 108.89 3mff n VAL 61 Ca 0.36 0.09 -0.24 0.00 -2.96 0.00 0.00 64.34 61.59 3mff n VAL 61 Cb 1.47 -0.77 -0.14 0.00 -1.06 0.00 0.00 33.84 33.34 3mff n VAL 61 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 3mff s SER 62 N -2.51 2.16 -0.01 6.55 0.15 -0.17 -5.06 113.70 114.81 3mff s SER 62 Ca 0.20 -0.45 0.20 0.00 0.70 0.00 0.00 55.95 56.60 3mff s SER 62 Cb 0.13 -0.19 -0.23 0.00 -1.71 0.00 0.00 66.02 64.02 3mff s SER 62 CO 0.29 0.14 0.78 -0.90 1.20 0.00 0.00 173.24 174.75 3mff n ASP 63 N 2.08 0.83 -3.69 5.45 3.85 -1.26 -4.73 116.55 119.07 3mff n ASP 63 Ca -0.17 -0.80 -0.11 0.00 -0.71 0.00 0.00 54.79 53.01 3mff n ASP 63 Cb 0.54 1.17 -0.11 0.00 -1.35 0.00 0.00 41.12 41.36 3mff n ASP 63 CO 0.00 0.00 0.00 -0.75 -1.01 0.00 0.00 177.20 175.44 3mff s LYS 64 N -2.98 0.30 -0.13 0.11 2.20 -1.26 0.24 119.74 118.24 3mff s LYS 64 Ca 0.05 0.77 0.02 0.00 -0.36 0.00 0.00 55.97 56.45 3mff s LYS 64 Cb 0.15 0.01 0.01 0.00 -1.51 0.00 0.00 37.83 36.49 3mff s LYS 64 CO 0.82 -0.19 -0.19 0.21 -0.36 0.00 0.00 175.35 175.64 3mff s LYS 65 N 1.72 2.64 -0.08 4.03 2.47 0.94 -5.00 119.74 126.48 3mff s LYS 65 Ca -0.07 -0.72 0.04 0.00 -1.56 0.00 0.00 55.97 53.67 3mff s LYS 65 Cb -0.10 -2.18 -0.01 0.00 -1.46 0.00 0.00 37.83 34.07 3mff s LYS 65 CO -0.11 -0.04 -0.20 -2.00 0.16 0.00 0.00 175.35 173.16 3mff s GLU 66 N 0.91 2.77 -0.41 4.03 2.12 -1.26 -0.69 118.70 126.17 3mff s GLU 66 Ca -0.06 -0.80 0.04 0.00 0.36 0.00 0.00 54.97 54.50 3mff s GLU 66 Cb -0.15 -2.33 0.17 0.00 0.26 0.00 0.00 34.13 32.07 3mff s GLU 66 CO -0.02 0.38 0.44 0.34 -0.54 0.00 0.00 175.26 175.87 3mff s ASP 67 N -0.14 0.63 1.84 -1.70 2.15 0.19 -5.02 116.67 114.62 3mff s ASP 67 Ca -0.03 -1.89 0.00 0.00 0.43 0.00 0.00 52.55 51.07 3mff s ASP 67 Cb -0.14 0.65 0.00 0.00 -0.30 0.00 0.00 42.92 43.14 3mff s ASP 67 CO 0.04 -0.20 0.00 0.61 -0.17 0.00 0.00 175.17 175.45 3mff n GLY 68 N 3.73 3.71 0.07 2.66 0.00 -1.26 -2.07 105.19 112.02 3mff n GLY 68 Ca 0.16 0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.40 3mff n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mff n ARG 69 N 11.89 0.17 -3.87 1.61 1.74 -1.26 -4.77 116.66 122.16 3mff n ARG 69 Ca 0.00 0.17 -0.35 0.00 -0.77 0.00 0.00 57.85 56.90 3mff n ARG 69 Cb 0.00 -1.71 -0.09 0.00 -1.02 0.00 0.00 32.46 29.64 3mff n ARG 69 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3mff s PHE 70 N -3.09 3.32 -0.05 -1.55 0.40 -0.88 -1.56 117.98 114.58 3mff s PHE 70 Ca 0.11 0.18 -0.02 0.00 -0.60 0.00 0.00 56.93 56.60 3mff s PHE 70 Cb 0.14 -2.12 0.03 0.00 0.51 0.00 0.00 43.02 41.58 3mff s PHE 70 CO 0.54 0.20 0.08 0.99 0.70 0.00 0.00 175.22 177.73 3mff s THR 71 N 0.40 -0.13 -0.23 0.64 2.01 -0.37 -0.64 115.64 117.33 3mff s THR 71 Ca 0.05 0.37 -0.18 0.00 0.31 0.00 0.00 61.69 62.24 3mff s THR 71 Cb -0.12 -0.17 -0.03 0.00 0.01 0.00 0.00 72.50 72.19 3mff s THR 71 CO -0.01 0.15 0.51 -0.63 -0.69 0.00 0.00 174.62 173.96 3mff s ILE 72 N 1.95 5.09 -0.14 1.82 1.01 0.13 -0.11 121.20 130.95 3mff s ILE 72 Ca 0.01 0.91 -0.08 0.00 0.00 0.00 0.00 60.65 61.50 3mff s ILE 72 Cb -0.12 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 3mff s ILE 72 CO -0.04 0.14 0.13 -0.36 0.00 0.00 0.00 174.94 174.81 3mff s PHE 73 N 1.95 3.53 -0.10 3.97 0.40 -0.29 -0.04 117.98 127.40 3mff s PHE 73 Ca 0.22 0.46 0.01 0.00 -0.60 0.00 0.00 56.93 57.02 3mff s PHE 73 Cb -0.15 -2.00 0.02 0.00 0.51 0.00 0.00 43.02 41.40 3mff s PHE 73 CO 0.09 0.60 -0.11 0.12 0.70 0.00 0.00 175.22 176.62 3mff s PHE 74 N -0.62 1.56 -0.34 0.36 5.36 0.14 -0.62 117.98 123.82 3mff s PHE 74 Ca 0.13 -0.71 0.01 0.00 -0.96 0.00 0.00 56.93 55.41 3mff s PHE 74 Cb -0.12 -1.21 0.09 0.00 -0.34 0.00 0.00 43.02 41.45 3mff s PHE 74 CO 0.02 -0.42 0.06 1.21 -1.46 0.00 0.00 175.22 174.63 3mff s ASN 75 N 1.19 4.86 0.08 6.13 3.84 0.11 -4.50 114.94 126.65 3mff s ASN 75 Ca -0.04 -1.89 -0.28 0.00 0.21 0.00 0.00 52.86 50.86 3mff s ASN 75 Cb -0.14 -1.68 -0.16 0.00 -0.55 0.00 0.00 41.25 38.72 3mff s ASN 75 CO -0.03 -0.37 1.67 0.50 -2.79 0.00 0.00 177.10 176.08 3mff h LYS 76 N 7.80 -0.47 -0.16 0.43 3.64 -1.92 -1.58 116.57 124.30 3mff h LYS 76 Ca -0.11 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.33 3mff h LYS 76 Cb 1.04 0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.91 3mff h LYS 76 CO 0.56 -0.32 -0.44 0.00 -2.27 0.00 0.00 179.45 176.98 3mff h ARG 77 N -0.49 -0.42 0.00 1.90 -0.00 -1.94 -0.49 114.38 112.93 3mff h ARG 77 Ca -0.04 0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.47 3mff h ARG 77 Cb 0.40 0.09 0.00 0.00 0.00 0.00 0.00 29.97 30.46 3mff h ARG 77 CO 0.05 -0.28 0.00 -0.85 0.00 0.00 0.00 179.97 178.89 3mff n GLU 78 N -4.85 0.86 -3.79 0.04 0.28 -1.24 -4.93 120.64 107.01 3mff n GLU 78 Ca -0.04 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.61 3mff n GLU 78 Cb 0.30 -1.13 0.03 0.00 1.43 0.00 0.00 31.44 32.06 3mff n GLU 78 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3mff n LYS 79 N -0.63 -0.93 -3.91 3.44 5.02 -0.19 -4.88 118.16 116.08 3mff n LYS 79 Ca 0.06 0.39 -0.11 0.00 -2.02 0.00 0.00 58.31 56.63 3mff n LYS 79 Cb 0.03 -3.54 -0.12 0.00 -0.02 0.00 0.00 35.03 31.38 3mff n LYS 79 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3mff s LYS 80 N -6.27 0.19 0.13 1.97 1.02 -0.64 -2.45 119.74 113.68 3mff s LYS 80 Ca 0.44 -0.26 -0.10 0.00 0.02 0.00 0.00 55.97 56.07 3mff s LYS 80 Cb -0.19 0.07 0.00 0.00 -0.52 0.00 0.00 37.83 37.20 3mff s LYS 80 CO 0.90 -0.03 0.26 -0.48 -0.92 0.00 0.00 175.35 175.07 3mff s LEU 81 N -0.70 1.09 -0.06 3.17 2.34 -0.80 0.05 118.68 123.77 3mff s LEU 81 Ca -0.08 -0.70 -0.10 0.00 0.06 0.00 0.00 54.13 53.31 3mff s LEU 81 Cb -0.05 1.22 0.02 0.00 -0.56 0.00 0.00 46.19 46.82 3mff s LEU 81 CO -0.00 -0.82 0.25 -0.94 -1.06 0.00 0.00 176.35 173.79 3mff s SER 82 N -2.90 -0.20 -0.23 1.48 1.04 0.20 -1.49 113.70 111.60 3mff s SER 82 Ca 0.10 0.29 -0.14 0.00 0.48 0.00 0.00 55.95 56.68 3mff s SER 82 Cb 0.04 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.54 3mff s SER 82 CO -0.07 -0.23 0.32 -0.22 0.98 0.00 0.00 173.24 174.03 3mff s LEU 83 N -0.50 4.11 -0.13 2.42 2.96 0.08 -1.14 118.68 126.49 3mff s LEU 83 Ca -0.06 0.34 -0.05 0.00 -0.22 0.00 0.00 54.13 54.14 3mff s LEU 83 Cb -0.04 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.24 3mff s LEU 83 CO 0.02 -0.06 0.05 -1.00 -1.32 0.00 0.00 176.35 174.03 3mff s HIS 84 N 1.43 3.28 -0.30 5.38 3.76 0.84 -0.02 115.29 129.66 3mff s HIS 84 Ca 0.15 0.21 0.03 0.00 -0.15 0.00 0.00 55.06 55.30 3mff s HIS 84 Cb -0.15 -1.92 0.08 0.00 1.11 0.00 0.00 32.58 31.71 3mff s HIS 84 CO 0.08 0.42 -0.02 0.42 -0.85 0.00 0.00 174.74 174.78 3mff s ILE 85 N -0.49 2.18 0.35 0.60 1.01 0.32 -1.23 121.20 123.94 3mff s ILE 85 Ca 0.10 -2.00 -0.25 0.00 0.00 0.00 0.00 60.65 58.49 3mff s ILE 85 Cb -0.12 -2.47 -0.10 0.00 0.01 0.00 0.00 42.46 39.79 3mff s ILE 85 CO 0.02 -0.35 1.00 0.42 0.00 0.00 0.00 174.94 176.02 3mff s THR 86 N 1.01 3.97 -0.97 2.92 -4.23 -0.60 -0.85 115.64 116.90 3mff s THR 86 Ca 0.02 1.60 -0.03 0.00 -1.18 0.00 0.00 61.69 62.10 3mff s THR 86 Cb -0.19 -3.87 0.00 0.00 1.34 0.00 0.00 72.50 69.78 3mff s THR 86 CO -0.07 0.09 0.82 -0.67 -0.54 0.00 0.00 174.62 174.26 3mff n ASP 87 N 0.33 -3.32 -4.56 3.99 2.03 -1.20 -4.84 116.55 108.99 3mff n ASP 87 Ca 0.03 -0.45 -0.46 0.00 0.52 0.00 0.00 54.79 54.42 3mff n ASP 87 Cb 0.50 -4.03 -0.03 0.00 -0.72 0.00 0.00 41.12 36.84 3mff n ASP 87 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3mff n SER 88 N -2.38 0.98 -4.52 1.67 7.64 -0.29 -4.41 113.62 112.31 3mff n SER 88 Ca -0.13 1.16 -0.30 0.00 1.01 0.00 0.00 58.87 60.60 3mff n SER 88 Cb 0.60 -1.22 -0.11 0.00 -1.01 0.00 0.00 64.21 62.47 3mff n SER 88 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3mff s GLN 89 N -1.11 2.08 0.39 1.43 -1.52 -1.26 -1.14 119.66 118.53 3mff s GLN 89 Ca 0.64 -1.01 0.17 0.00 -1.95 0.00 0.00 55.36 53.21 3mff s GLN 89 Cb -0.78 -2.25 1.07 0.00 -0.22 0.00 0.00 33.01 30.84 3mff s GLN 89 CO 0.57 0.52 1.77 -1.35 -0.25 0.00 0.00 175.29 176.55 3mff h PRO 90 N 4.04 0.41 0.00 2.91 0.11 -1.87 0.11 132.00 137.71 3mff h PRO 90 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3mff h PRO 90 Cb 1.16 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3mff h PRO 90 CO 0.49 0.27 0.00 0.41 -0.21 0.00 0.00 178.00 178.96 3mff n GLY 91 N -1.46 -0.77 0.04 -0.55 0.00 -1.26 -1.65 105.19 99.54 3mff n GLY 91 Ca 0.25 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.33 3mff n GLY 91 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mff n ASP 92 N -1.27 0.37 -4.63 1.61 8.00 0.39 -4.87 116.55 116.14 3mff n ASP 92 Ca 0.07 -0.12 -0.44 0.00 0.71 0.00 0.00 54.79 55.01 3mff n ASP 92 Cb 0.12 -0.06 -0.04 0.00 -0.02 0.00 0.00 41.12 41.12 3mff n ASP 92 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3mff n SER 93 N -1.33 3.64 -3.62 -2.24 7.64 -0.66 -4.87 113.62 112.18 3mff n SER 93 Ca 0.08 0.67 -0.01 0.00 1.01 0.00 0.00 58.87 60.62 3mff n SER 93 Cb 0.32 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.03 3mff n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mff s ALA 94 N 5.78 -1.91 -0.10 -0.43 0.00 -0.61 -4.62 121.76 119.88 3mff s ALA 94 Ca 0.95 0.15 -0.15 0.00 0.00 0.00 0.00 51.96 52.91 3mff s ALA 94 Cb -0.47 0.62 -0.05 0.00 0.00 0.00 0.00 23.12 23.22 3mff s ALA 94 CO 0.42 -1.07 0.37 0.99 0.00 0.00 0.00 175.76 176.47 3mff s THR 95 N -2.58 5.20 -0.22 0.00 2.01 -0.46 -0.15 115.64 119.44 3mff s THR 95 Ca 0.18 0.73 -0.04 0.00 0.31 0.00 0.00 61.69 62.87 3mff s THR 95 Cb 0.00 -3.69 -0.01 0.00 0.01 0.00 0.00 72.50 68.81 3mff s THR 95 CO 0.01 0.45 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.04 3mff s TYR 96 N -0.08 2.96 -0.22 4.92 2.02 0.41 -1.14 117.35 126.23 3mff s TYR 96 Ca 0.21 -0.94 -0.08 0.00 -0.37 0.00 0.00 57.07 55.89 3mff s TYR 96 Cb -0.15 -2.11 -0.04 0.00 -0.40 0.00 0.00 41.96 39.27 3mff s TYR 96 CO 0.09 -0.55 0.09 -0.06 -1.57 0.00 0.00 175.55 173.54 3mff s PHE 97 N 1.48 3.21 -0.09 2.71 0.08 0.11 -0.61 117.98 124.87 3mff s PHE 97 Ca 0.06 -0.04 -0.19 0.00 0.12 0.00 0.00 56.93 56.87 3mff s PHE 97 Cb -0.14 -2.18 -0.04 0.00 -0.57 0.00 0.00 43.02 40.09 3mff s PHE 97 CO -0.03 -0.03 0.52 0.00 -0.10 0.00 0.00 175.22 175.57 3mff s ALA 99 N 0.39 1.34 -0.02 0.00 0.00 -0.31 0.12 121.76 123.27 3mff s ALA 99 Ca 0.28 -1.31 -0.10 0.00 0.00 0.00 0.00 51.96 50.83 3mff s ALA 99 Cb -0.16 -0.00 0.01 0.00 0.00 0.00 0.00 23.12 22.97 3mff s ALA 99 CO 0.12 -0.00 0.21 0.00 0.00 0.00 0.00 175.76 176.09 3mff s ALA 100 N -2.57 -0.52 0.04 0.00 0.00 0.98 -2.98 121.76 116.71 3mff s ALA 100 Ca 0.10 0.14 -0.17 0.00 0.00 0.00 0.00 51.96 52.03 3mff s ALA 100 Cb -0.02 0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.16 3mff s ALA 100 CO 0.01 -0.21 0.38 -0.08 0.00 0.00 0.00 175.76 175.86 3mff s THR 101 N -1.15 0.06 0.32 0.00 -1.32 -0.21 -1.33 115.64 112.02 3mff s THR 101 Ca -0.12 -0.53 0.04 0.00 -1.21 0.00 0.00 61.69 59.88 3mff s THR 101 Cb -0.06 -0.94 -0.06 0.00 -1.51 0.00 0.00 72.50 69.92 3mff s THR 101 CO 0.02 -0.29 0.04 -0.83 -2.21 0.00 0.00 174.62 171.35 3mff s GLY 102 N -2.02 2.07 0.27 6.08 0.00 -1.25 -0.26 107.32 112.21 3mff s GLY 102 Ca -0.05 -2.06 -0.01 0.00 0.00 0.00 0.00 44.72 42.60 3mff s GLY 102 CO -0.03 -1.84 1.67 0.00 0.00 0.00 0.00 173.10 172.90 3mff h ALA 103 N 2.11 1.15 -0.49 3.20 0.00 -1.96 -2.74 119.26 120.53 3mff h ALA 103 Ca -0.41 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3mff h ALA 103 Cb 1.24 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3mff h ALA 103 CO 0.70 -0.39 0.00 0.09 0.00 0.00 0.00 179.25 179.65 3mff n ASN 104 N -5.18 5.20 -4.22 0.00 5.03 -1.26 -4.87 115.26 109.97 3mff n ASN 104 Ca 0.18 -2.95 -0.33 0.00 0.87 0.00 0.00 54.58 52.35 3mff n ASN 104 Cb 0.58 -0.64 -0.16 0.00 -1.02 0.00 0.00 39.78 38.54 3mff n ASN 104 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 3mff s THR 105 N -2.77 2.33 0.72 3.41 -4.23 -1.04 -5.12 115.64 108.94 3mff s THR 105 Ca 0.51 -0.89 -0.14 0.00 -1.18 0.00 0.00 61.69 59.99 3mff s THR 105 Cb 0.39 -1.95 0.03 0.00 1.34 0.00 0.00 72.50 72.32 3mff s THR 105 CO 0.14 0.54 1.14 -0.83 -0.54 0.00 0.00 174.62 175.07 3mff s GLY 106 N 0.78 2.10 0.00 3.99 0.00 -1.26 -4.28 107.32 108.65 3mff s GLY 106 Ca -0.07 0.61 0.00 0.00 0.00 0.00 0.00 44.72 45.26 3mff s GLY 106 CO -0.00 0.99 0.00 0.28 0.00 0.00 0.00 173.10 174.36 3mff n LYS 107 N -2.84 0.00 -3.88 2.90 4.76 -1.26 -4.75 118.16 113.09 3mff n LYS 107 Ca 0.11 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.40 3mff n LYS 107 Cb 0.52 0.00 -0.15 0.00 -1.84 0.00 0.00 35.03 33.55 3mff n LYS 107 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3mff s LEU 108 N 0.00 1.45 -0.34 -0.35 2.96 -1.26 -4.86 118.68 116.28 3mff s LEU 108 Ca 0.00 -0.00 -0.12 0.00 -0.22 0.00 0.00 54.13 53.79 3mff s LEU 108 Cb 0.00 -0.11 -0.01 0.00 0.50 0.00 0.00 46.19 46.57 3mff s LEU 108 CO 0.00 -0.07 0.21 -0.89 -1.32 0.00 0.00 176.35 174.29 3mff s THR 109 N 0.64 4.97 -0.02 3.68 2.01 -0.44 -4.93 115.64 121.54 3mff s THR 109 Ca -0.06 -0.40 -0.14 0.00 0.31 0.00 0.00 61.69 61.41 3mff s THR 109 Cb -0.08 -3.59 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 3mff s THR 109 CO -0.02 -0.03 0.36 -0.36 -0.69 0.00 0.00 174.62 173.88 3mff s PHE 110 N 1.66 3.70 0.88 4.92 0.08 -1.26 -0.01 117.98 127.95 3mff s PHE 110 Ca 0.05 0.91 -0.12 0.00 0.12 0.00 0.00 56.93 57.89 3mff s PHE 110 Cb -0.18 -2.24 0.12 0.00 -0.57 0.00 0.00 43.02 40.16 3mff s PHE 110 CO 0.09 0.64 1.10 0.20 -0.10 0.00 0.00 175.22 177.15 3mff s GLY 111 N -1.01 1.61 0.13 4.36 0.00 0.31 -4.67 107.32 108.05 3mff s GLY 111 Ca 0.22 -0.19 0.21 0.00 0.00 0.00 0.00 44.72 44.96 3mff s GLY 111 CO 0.12 0.30 1.65 1.42 0.00 0.00 0.00 173.10 176.58 3mff n HIS 112 N -3.77 0.43 0.00 1.90 -0.00 -1.26 -4.68 115.22 107.84 3mff n HIS 112 Ca 0.07 0.16 0.00 0.00 -0.00 0.00 0.00 57.72 57.95 3mff n HIS 112 Cb 0.56 -0.76 0.00 0.00 -0.00 0.00 0.00 29.99 29.79 3mff n HIS 112 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3mff n GLY 113 N 0.30 2.02 3.19 -1.41 0.00 -1.26 -5.01 105.19 103.02 3mff n GLY 113 Ca 0.04 -1.81 -0.33 0.00 0.00 0.00 0.00 46.02 43.92 3mff n GLY 113 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mff s THR 114 N -2.56 2.13 -0.33 2.61 2.01 0.22 -4.69 115.64 115.03 3mff s THR 114 Ca 0.00 -0.96 -0.26 0.00 0.31 0.00 0.00 61.69 60.78 3mff s THR 114 Cb 0.00 -1.85 0.01 0.00 0.01 0.00 0.00 72.50 70.67 3mff s THR 114 CO 0.00 0.55 0.91 -0.63 -0.69 0.00 0.00 174.62 174.75 3mff s ILE 115 N 0.75 4.66 -0.20 1.82 1.01 -0.59 -0.44 121.20 128.20 3mff s ILE 115 Ca -0.08 1.35 -0.08 0.00 0.00 0.00 0.00 60.65 61.84 3mff s ILE 115 Cb -0.16 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.00 3mff s ILE 115 CO -0.00 -0.39 0.07 -0.22 0.00 0.00 0.00 174.94 174.40 3mff s LEU 116 N 3.28 3.74 -0.20 2.97 2.96 0.79 -0.55 118.68 131.67 3mff s LEU 116 Ca 0.38 0.01 0.02 0.00 -0.22 0.00 0.00 54.13 54.31 3mff s LEU 116 Cb -0.13 -1.96 0.03 0.00 0.50 0.00 0.00 46.19 44.63 3mff s LEU 116 CO 0.15 0.11 -0.18 -0.13 -1.32 0.00 0.00 176.35 174.99 3mff s ARG 117 N 0.73 2.79 -0.28 1.98 0.52 -0.43 -1.57 118.95 122.69 3mff s ARG 117 Ca 0.04 -0.96 -0.06 0.00 -0.52 0.00 0.00 55.73 54.22 3mff s ARG 117 Cb -0.13 -2.65 0.01 0.00 0.52 0.00 0.00 34.95 32.70 3mff s ARG 117 CO 0.02 -0.30 0.06 0.08 0.02 0.00 0.00 175.30 175.18 3mff s VAL 118 N 1.24 3.88 0.23 3.52 1.01 -1.26 -1.00 120.40 128.03 3mff s VAL 118 Ca 0.01 -0.67 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 3mff s VAL 118 Cb -0.15 -2.97 -0.09 0.00 0.00 0.00 0.00 36.38 33.17 3mff s VAL 118 CO -0.11 0.13 1.10 -1.00 0.00 0.00 0.00 175.10 175.22 3mff s HIS 119 N 1.49 3.58 0.50 5.22 3.76 0.29 -4.53 115.29 125.61 3mff s HIS 119 Ca 0.03 1.65 -0.21 0.00 -0.15 0.00 0.00 55.06 56.37 3mff s HIS 119 Cb -0.17 -3.28 -0.07 0.00 1.11 0.00 0.00 32.58 30.17 3mff s HIS 119 CO 0.02 -0.60 1.12 -1.25 -0.85 0.00 0.00 174.74 173.18 3mff s PRO 120 N -0.94 3.61 0.50 8.40 0.04 -1.26 -0.75 135.00 144.60 3mff s PRO 120 Ca 0.47 1.62 -0.23 0.00 0.04 0.00 0.00 61.00 62.90 3mff s PRO 120 Cb -0.31 -2.19 -0.07 0.00 0.04 0.00 0.00 34.50 31.97 3mff s PRO 120 CO 0.38 -0.64 1.22 -1.71 0.04 0.00 0.00 177.00 176.29 3mff n ASN 121 N -0.90 2.14 -4.27 6.66 2.85 -1.26 -4.79 115.26 115.69 3mff n ASN 121 Ca 0.09 1.00 -0.38 0.00 -0.11 0.00 0.00 54.58 55.19 3mff n ASN 121 Cb 0.50 -1.49 -0.12 0.00 1.24 0.00 0.00 39.78 39.90 3mff n ASN 121 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3mff s ILE 122 N -1.30 3.73 0.06 -1.44 1.01 -1.26 -5.00 121.20 117.00 3mff s ILE 122 Ca 0.68 -1.13 -0.17 0.00 0.00 0.00 0.00 60.65 60.03 3mff s ILE 122 Cb -0.46 -3.11 -0.18 0.00 0.01 0.00 0.00 42.46 38.72 3mff s ILE 122 CO 0.53 -0.16 1.24 -0.61 0.00 0.00 0.00 174.94 175.93 3mff h GLN 123 N 8.20 0.58 -2.85 2.79 5.75 -2.06 -3.40 115.11 124.13 3mff h GLN 123 Ca -0.23 -0.49 -0.59 0.00 -0.15 0.00 0.00 58.65 57.19 3mff h GLN 123 Cb 1.08 0.11 -0.40 0.00 1.07 0.00 0.00 27.48 29.34 3mff h GLN 123 CO 0.60 1.11 -0.79 -0.80 -2.65 0.00 0.00 178.83 176.30 3mff s ASN 124 N -6.80 3.37 0.12 -0.69 -0.87 -1.26 -5.12 114.94 103.70 3mff s ASN 124 Ca -0.12 -2.22 -0.34 0.00 -1.57 0.00 0.00 52.86 48.60 3mff s ASN 124 Cb 0.06 -0.68 -0.14 0.00 -0.02 0.00 0.00 41.25 40.47 3mff s ASN 124 CO 0.85 -0.31 1.56 -2.65 -2.57 0.00 0.00 177.10 173.98 3mff n PRO 125 N 4.03 1.97 -3.21 -0.60 -0.02 -1.26 -4.94 135.00 130.97 3mff n PRO 125 Ca 0.08 0.71 -0.24 0.00 -2.02 0.00 0.00 63.50 62.03 3mff n PRO 125 Cb 0.37 -2.46 -0.07 0.00 -0.02 0.00 0.00 33.50 31.31 3mff n PRO 125 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3mff n ASP 126 N 3.54 0.48 -4.69 2.55 2.03 -1.26 -5.10 116.55 114.10 3mff n ASP 126 Ca 0.18 -2.76 -0.42 0.00 0.52 0.00 0.00 54.79 52.31 3mff n ASP 126 Cb 0.27 -0.64 -0.03 0.00 -0.72 0.00 0.00 41.12 40.00 3mff n ASP 126 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3mff s PRO 127 N -1.31 4.23 -0.06 -0.67 0.04 -1.26 -4.41 135.00 131.56 3mff s PRO 127 Ca 0.35 2.19 -0.21 0.00 0.04 0.00 0.00 61.00 63.37 3mff s PRO 127 Cb 0.17 -3.62 0.05 0.00 0.04 0.00 0.00 34.50 31.14 3mff s PRO 127 CO -0.10 -0.69 0.49 0.00 0.04 0.00 0.00 177.00 176.74 3mff s ALA 128 N 2.67 -1.25 -0.12 8.56 0.00 -0.96 -1.14 121.76 129.52 3mff s ALA 128 Ca 0.70 0.91 0.02 0.00 0.00 0.00 0.00 51.96 53.59 3mff s ALA 128 Cb -0.36 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 22.64 3mff s ALA 128 CO 0.30 -0.30 -0.17 0.08 0.00 0.00 0.00 175.76 175.67 3mff s VAL 129 N -0.97 1.68 0.01 0.00 1.01 -0.15 -0.64 120.40 121.34 3mff s VAL 129 Ca -0.10 -0.74 0.08 0.00 0.00 0.00 0.00 61.98 61.22 3mff s VAL 129 Cb -0.03 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 3mff s VAL 129 CO 0.06 0.48 -0.25 -0.31 0.00 0.00 0.00 175.10 175.07 3mff s TYR 130 N 1.01 2.23 -0.19 5.22 2.02 -0.42 -4.25 117.35 122.97 3mff s TYR 130 Ca -0.05 -0.41 -0.10 0.00 -0.37 0.00 0.00 57.07 56.13 3mff s TYR 130 Cb -0.15 -1.39 -0.05 0.00 -0.40 0.00 0.00 41.96 39.97 3mff s TYR 130 CO -0.03 0.03 0.15 -1.14 -1.57 0.00 0.00 175.55 172.99 3mff s GLN 131 N -0.87 4.18 0.01 -0.62 0.74 -1.26 -0.43 119.66 121.41 3mff s GLN 131 Ca 0.10 -0.18 0.06 0.00 0.05 0.00 0.00 55.36 55.39 3mff s GLN 131 Cb -0.10 -3.41 -0.03 0.00 1.10 0.00 0.00 33.01 30.57 3mff s GLN 131 CO 0.00 0.31 -0.17 -0.51 -0.55 0.00 0.00 175.29 174.36 3mff s LEU 132 N 0.34 2.61 0.10 3.68 1.02 0.73 -4.97 118.68 122.19 3mff s LEU 132 Ca 0.09 -0.36 -0.03 0.00 0.02 0.00 0.00 54.13 53.85 3mff s LEU 132 Cb -0.11 -1.52 -0.05 0.00 0.02 0.00 0.00 46.19 44.53 3mff s LEU 132 CO -0.01 0.29 0.29 0.00 0.02 0.00 0.00 176.35 176.94 3mff s ARG 133 N -1.18 3.53 0.24 1.70 3.03 -1.26 -1.79 118.95 123.22 3mff s ARG 133 Ca 0.13 -0.25 -0.30 0.00 2.03 0.00 0.00 55.73 57.34 3mff s ARG 133 Cb -0.10 -2.95 -0.09 0.00 -1.03 0.00 0.00 34.95 30.77 3mff s ARG 133 CO 0.04 0.54 1.33 0.34 -1.13 0.00 0.00 175.30 176.42 3mff s ASP 134 N -2.44 6.83 0.53 -2.89 -1.08 -1.25 -4.89 116.67 111.49 3mff s ASP 134 Ca 0.38 2.52 0.26 0.00 -0.52 0.00 0.00 52.55 55.18 3mff s ASP 134 Cb -0.13 -2.62 1.50 0.00 -1.46 0.00 0.00 42.92 40.22 3mff s ASP 134 CO 0.26 -0.55 2.13 0.77 0.52 0.00 0.00 175.17 178.30 3mff h SER 135 N 4.77 0.00 -3.18 -0.34 4.64 -1.97 -3.40 113.55 114.07 3mff h SER 135 Ca -0.46 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.25 3mff h SER 135 Cb 1.22 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.20 3mff h SER 135 CO 0.74 0.08 -0.42 -0.75 -0.87 0.00 0.00 176.83 175.61 3mff s LYS 136 N -4.45 4.09 -0.58 4.77 2.20 -1.26 -5.02 119.74 119.50 3mff s LYS 136 Ca -0.04 -0.08 -0.35 0.00 -0.36 0.00 0.00 55.97 55.14 3mff s LYS 136 Cb 0.14 -3.38 -0.16 0.00 -1.51 0.00 0.00 37.83 32.92 3mff s LYS 136 CO 0.59 0.36 2.34 0.43 -0.36 0.00 0.00 175.35 178.72 3mff n SER 137 N 3.25 1.27 -1.33 1.43 7.64 -1.26 -4.90 113.62 119.72 3mff n SER 137 Ca -0.15 0.31 -0.02 0.00 1.01 0.00 0.00 58.87 60.02 3mff n SER 137 Cb 0.52 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 3mff n SER 137 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3mff n SER 138 N 10.11 -0.37 -0.18 6.43 3.41 -1.26 -5.03 113.62 126.73 3mff n SER 138 Ca 0.51 -1.30 0.11 0.00 -0.26 0.00 0.00 58.87 57.93 3mff n SER 138 Cb 0.14 0.62 0.03 0.00 -0.26 0.00 0.00 64.21 64.74 3mff n SER 138 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3mff n ASP 139 N -1.37 1.24 -4.77 4.04 8.00 -1.26 -4.90 116.55 117.54 3mff n ASP 139 Ca -0.01 -1.03 -0.40 0.00 0.71 0.00 0.00 54.79 54.06 3mff n ASP 139 Cb 0.11 0.62 -0.01 0.00 -0.02 0.00 0.00 41.12 41.83 3mff n ASP 139 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3mff s LYS 140 N -2.78 4.05 0.11 -1.24 1.02 -1.26 -4.14 119.74 115.49 3mff s LYS 140 Ca 0.14 2.26 -0.12 0.00 0.02 0.00 0.00 55.97 58.27 3mff s LYS 140 Cb 0.17 -2.85 0.02 0.00 -0.52 0.00 0.00 37.83 34.65 3mff s LYS 140 CO 0.71 -0.46 0.29 -1.54 -0.92 0.00 0.00 175.35 173.43 3mff s SER 141 N -0.56 -0.04 -0.04 2.83 1.04 -1.05 -3.78 113.70 112.10 3mff s SER 141 Ca 0.55 -0.50 0.05 0.00 0.48 0.00 0.00 55.95 56.53 3mff s SER 141 Cb -0.40 0.40 -0.01 0.00 0.10 0.00 0.00 66.02 66.11 3mff s SER 141 CO 0.53 -0.79 -0.19 -0.69 0.98 0.00 0.00 173.24 173.08 3mff s VAL 142 N -3.84 1.59 -0.23 5.02 1.01 -0.74 -2.43 120.40 120.78 3mff s VAL 142 Ca 0.04 -0.82 -0.10 0.00 0.00 0.00 0.00 61.98 61.10 3mff s VAL 142 Cb 0.03 -1.35 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 3mff s VAL 142 CO -0.11 0.45 0.15 0.00 0.00 0.00 0.00 175.10 175.58 3mff s LEU 144 N 0.90 2.86 -0.37 0.00 2.96 0.43 -1.76 118.68 123.71 3mff s LEU 144 Ca 0.07 -0.38 -0.04 0.00 -0.22 0.00 0.00 54.13 53.57 3mff s LEU 144 Cb -0.13 -1.72 0.08 0.00 0.50 0.00 0.00 46.19 44.92 3mff s LEU 144 CO 0.03 0.01 0.14 0.12 -1.32 0.00 0.00 176.35 175.33 3mff s PHE 145 N 1.27 3.42 0.26 5.38 5.99 0.54 -1.30 117.98 133.53 3mff s PHE 145 Ca 0.03 -2.00 -0.25 0.00 0.00 0.00 0.00 56.93 54.71 3mff s PHE 145 Cb -0.14 -2.74 -0.09 0.00 0.00 0.00 0.00 43.02 40.04 3mff s PHE 145 CO -0.02 -0.87 0.86 0.95 -0.00 0.00 0.00 175.22 176.13 3mff s THR 146 N 1.25 4.31 -1.53 0.12 -4.23 0.19 -1.70 115.64 114.05 3mff s THR 146 Ca 0.02 1.69 -0.12 0.00 -1.18 0.00 0.00 61.69 62.11 3mff s THR 146 Cb -0.21 -4.03 0.08 0.00 1.34 0.00 0.00 72.50 69.67 3mff s THR 146 CO -0.01 0.27 0.88 0.47 -0.54 0.00 0.00 174.62 175.69 3mff n ASP 147 N 0.90 -3.84 0.28 3.99 8.00 -0.22 -2.26 116.55 123.40 3mff n ASP 147 Ca -0.01 -0.84 0.17 0.00 0.71 0.00 0.00 54.79 54.82 3mff n ASP 147 Cb 0.50 -3.65 0.76 0.00 -0.02 0.00 0.00 41.12 38.70 3mff n ASP 147 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 3mff h PHE 148 N -1.95 0.00 -0.66 1.24 -5.15 -1.54 -2.67 116.94 106.22 3mff h PHE 148 Ca -0.59 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.18 3mff h PHE 148 Cb 1.38 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.55 3mff h PHE 148 CO 0.56 0.04 0.00 -0.40 -2.00 0.00 0.00 178.31 176.52 3mff n ASP 149 N -3.20 4.23 -1.07 -0.68 5.68 -1.26 -4.50 116.55 115.76 3mff n ASP 149 Ca -0.00 -2.21 0.00 0.00 -0.50 0.00 0.00 54.79 52.08 3mff n ASP 149 Cb 0.27 -0.51 0.00 0.00 -1.14 0.00 0.00 41.12 39.74 3mff n ASP 149 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3mff n SER 150 N 1.31 2.21 -4.62 -1.12 3.41 -1.00 -5.08 113.62 108.72 3mff n SER 150 Ca 0.24 -1.43 -0.32 0.00 -0.26 0.00 0.00 58.87 57.11 3mff n SER 150 Cb 0.73 -0.38 0.15 0.00 -0.26 0.00 0.00 64.21 64.45 3mff n SER 150 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3mff n LYS 158 N 0.76 -0.32 -0.24 4.33 2.85 -1.26 -4.78 118.16 119.50 3mff n LYS 158 Ca 0.00 -0.03 0.01 0.00 -1.05 0.00 0.00 58.31 57.24 3mff n LYS 158 Cb 0.34 -2.28 0.13 0.00 -0.65 0.00 0.00 35.03 32.58 3mff n LYS 158 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 3mff h ASP 159 N -1.66 0.46 0.49 -5.58 3.32 -2.01 -2.29 116.42 109.16 3mff h ASP 159 Ca -0.44 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.67 3mff h ASP 159 Cb 1.28 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.81 3mff h ASP 159 CO 0.40 0.27 0.00 -1.54 -1.72 0.00 0.00 179.24 176.65 3mff n SER 160 N -4.86 0.45 0.20 6.45 3.41 -1.26 -2.28 113.62 115.73 3mff n SER 160 Ca 0.11 0.63 0.14 0.00 -0.26 0.00 0.00 58.87 59.49 3mff n SER 160 Cb 0.26 -0.72 0.70 0.00 -0.26 0.00 0.00 64.21 64.19 3mff n SER 160 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3mff h ASP 161 N 0.00 0.00 -0.50 4.04 3.32 -1.87 -2.26 116.42 119.15 3mff h ASP 161 Ca 0.00 0.00 0.13 0.00 0.02 0.00 0.00 57.03 57.18 3mff h ASP 161 Cb 0.25 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 3mff h ASP 161 CO 0.00 0.00 0.36 1.62 -1.72 0.00 0.00 179.24 179.50 3mff h VAL 162 N 0.00 0.79 -3.13 -1.35 3.04 -1.66 -3.42 116.25 110.52 3mff h VAL 162 Ca 0.00 -0.03 -0.59 0.00 -1.01 0.00 0.00 66.70 65.07 3mff h VAL 162 Cb 0.13 0.70 -0.05 0.00 -2.01 0.00 0.00 31.29 30.06 3mff h VAL 162 CO 0.00 0.01 -0.12 -0.31 -1.01 0.00 0.00 177.57 176.14 3mff s TYR 163 N -5.10 3.76 -0.13 3.17 1.51 -0.85 -0.53 117.35 119.18 3mff s TYR 163 Ca -0.06 1.12 -0.29 0.00 -1.01 0.00 0.00 57.07 56.83 3mff s TYR 163 Cb 0.19 -2.39 -0.02 0.00 -0.11 0.00 0.00 41.96 39.64 3mff s TYR 163 CO 0.73 0.61 1.25 0.42 -1.11 0.00 0.00 175.55 177.45 3mff s ILE 164 N -1.11 4.26 -0.18 2.71 -1.09 -0.19 -4.60 121.20 121.00 3mff s ILE 164 Ca 0.27 1.55 0.17 0.00 -2.23 0.00 0.00 60.65 60.40 3mff s ILE 164 Cb -0.18 -4.00 0.52 0.00 -1.58 0.00 0.00 42.46 37.23 3mff s ILE 164 CO 0.16 -0.09 1.42 0.35 -1.23 0.00 0.00 174.94 175.55 3mff n THR 165 N 5.13 2.29 -1.38 2.92 -2.24 -1.26 -4.90 114.28 114.83 3mff n THR 165 Ca 0.13 -1.91 -0.39 0.00 -2.27 0.00 0.00 64.05 59.60 3mff n THR 165 Cb 0.45 -0.26 0.02 0.00 -2.10 0.00 0.00 70.33 68.44 3mff n THR 165 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3mff n ASP 166 N -0.55 -2.03 0.00 3.42 9.92 -1.26 -4.88 116.55 121.16 3mff n ASP 166 Ca 0.22 0.74 0.00 0.00 -0.53 0.00 0.00 54.79 55.22 3mff n ASP 166 Cb 0.89 -1.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.34 3mff n ASP 166 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3mff n ALA 167 N -1.46 0.00 0.00 2.24 0.00 -1.26 -3.76 120.51 116.28 3mff n ALA 167 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3mff n ALA 167 Cb 0.46 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.78 3mff n ALA 167 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3mff n THR 168 N -2.00 0.00 -0.25 0.00 -1.04 -1.26 -4.97 114.28 104.76 3mff n THR 168 Ca 0.00 0.00 0.18 0.00 -2.04 0.00 0.00 64.05 62.19 3mff n THR 168 Cb 0.00 0.00 0.49 0.00 -1.82 0.00 0.00 70.33 69.00 3mff n THR 168 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3mff h VAL 169 N 0.00 0.69 -5.85 12.58 2.07 -1.91 -3.46 116.25 120.38 3mff h VAL 169 Ca 0.00 -0.16 -0.22 0.00 0.82 0.00 0.00 66.70 67.14 3mff h VAL 169 Cb 0.00 0.20 0.04 0.00 -1.52 0.00 0.00 31.29 30.01 3mff h VAL 169 CO 0.00 0.08 -0.54 0.18 0.02 0.00 0.00 177.57 177.32 3mff n LEU 170 N -4.53 -4.81 -4.18 2.57 4.32 -1.26 -5.03 117.00 104.08 3mff n LEU 170 Ca 0.19 -0.54 -0.15 0.00 -0.02 0.00 0.00 56.01 55.50 3mff n LEU 170 Cb 0.67 -2.76 -0.07 0.00 -1.62 0.00 0.00 43.42 39.64 3mff n LEU 170 CO 0.30 -0.32 -0.04 1.51 -1.22 0.00 0.00 177.39 177.61 3mff s ASP 171 N -3.14 0.87 0.10 -1.43 1.47 -1.26 -4.72 116.67 108.55 3mff s ASP 171 Ca 0.16 -1.50 0.08 0.00 1.18 0.00 0.00 52.55 52.48 3mff s ASP 171 Cb -0.04 0.54 -0.03 0.00 -0.34 0.00 0.00 42.92 43.04 3mff s ASP 171 CO 0.80 -1.08 -0.22 -0.04 0.68 0.00 0.00 175.17 175.32 3mff s MET 172 N -3.58 1.17 0.00 2.11 -1.94 -0.20 -4.95 119.30 111.90 3mff s MET 172 Ca 0.36 -1.17 0.01 0.00 -1.71 0.00 0.00 55.69 53.18 3mff s MET 172 Cb 0.03 -1.45 -0.00 0.00 2.01 0.00 0.00 34.83 35.41 3mff s MET 172 CO 0.19 0.34 -0.02 1.03 -0.01 0.00 0.00 175.02 176.55 3mff s ARG 173 N -1.87 0.20 -0.21 2.03 0.52 -1.26 -0.83 118.95 117.53 3mff s ARG 173 Ca 0.07 -0.14 -0.12 0.00 -0.52 0.00 0.00 55.73 55.03 3mff s ARG 173 Cb -0.10 -0.16 0.07 0.00 0.52 0.00 0.00 34.95 35.28 3mff s ARG 173 CO 0.04 0.04 0.51 0.45 0.02 0.00 0.00 175.30 176.36 3mff s SER 174 N -0.20 -0.66 0.02 0.23 0.15 -0.83 -5.01 113.70 107.39 3mff s SER 174 Ca -0.01 1.11 0.02 0.00 0.70 0.00 0.00 55.95 57.77 3mff s SER 174 Cb -0.02 0.98 -0.04 0.00 -1.71 0.00 0.00 66.02 65.24 3mff s SER 174 CO -0.00 -0.21 -0.00 -0.04 1.20 0.00 0.00 173.24 174.19 3mff s MET 175 N 1.47 2.72 -0.48 5.44 -1.94 -1.26 -0.15 119.30 125.09 3mff s MET 175 Ca -0.10 -0.67 0.04 0.00 -1.71 0.00 0.00 55.69 53.25 3mff s MET 175 Cb -0.07 -2.63 0.12 0.00 2.01 0.00 0.00 34.83 34.26 3mff s MET 175 CO -0.15 0.60 0.22 0.34 -0.01 0.00 0.00 175.02 176.02 3mff s ASP 176 N -1.75 4.49 0.54 3.03 -1.08 0.15 -4.96 116.67 117.09 3mff s ASP 176 Ca 0.21 -2.79 0.22 0.00 -0.52 0.00 0.00 52.55 49.67 3mff s ASP 176 Cb -0.12 -1.65 1.40 0.00 -1.46 0.00 0.00 42.92 41.09 3mff s ASP 176 CO 0.12 -0.28 2.10 2.19 0.52 0.00 0.00 175.17 179.83 3mff h PHE 177 N 6.81 0.00 0.00 -5.34 -5.15 -1.97 -1.78 116.94 109.50 3mff h PHE 177 Ca -0.07 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.67 3mff h PHE 177 Cb 0.93 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.09 3mff h PHE 177 CO 0.52 0.00 -0.15 0.87 -2.00 0.00 0.00 178.31 177.55 3mff h LYS 178 N 0.00 0.00 0.00 6.09 1.57 -1.93 -3.19 116.57 119.12 3mff h LYS 178 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3mff h LYS 178 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3mff h LYS 178 CO -0.00 0.15 -0.00 -1.13 -0.57 0.00 0.00 179.45 177.89 3mff n SER 179 N -3.30 1.78 -3.40 0.86 3.41 -0.80 -4.62 113.62 107.54 3mff n SER 179 Ca 0.00 -1.93 -0.25 0.00 -0.26 0.00 0.00 58.87 56.44 3mff n SER 179 Cb 0.39 -0.02 0.03 0.00 -0.26 0.00 0.00 64.21 64.35 3mff n SER 179 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3mff n ASN 180 N -0.48 -5.33 -4.28 4.04 5.03 -0.74 -4.67 115.26 108.83 3mff n ASN 180 Ca 0.01 -0.47 -0.15 0.00 0.87 0.00 0.00 54.58 54.84 3mff n ASN 180 Cb 0.30 -4.29 -0.10 0.00 -1.02 0.00 0.00 39.78 34.67 3mff n ASN 180 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 3mff s SER 181 N -2.95 1.96 0.04 6.41 1.04 -1.02 -1.06 113.70 118.13 3mff s SER 181 Ca 0.46 -1.04 -0.02 0.00 0.48 0.00 0.00 55.95 55.82 3mff s SER 181 Cb -0.22 -0.03 -0.02 0.00 0.10 0.00 0.00 66.02 65.84 3mff s SER 181 CO 0.57 -0.32 0.02 0.00 0.98 0.00 0.00 173.24 174.48 3mff s ALA 182 N -3.26 0.17 0.22 5.32 0.00 -0.69 0.32 121.76 123.83 3mff s ALA 182 Ca 0.19 -0.76 0.06 0.00 0.00 0.00 0.00 51.96 51.46 3mff s ALA 182 Cb 0.02 0.22 -0.05 0.00 0.00 0.00 0.00 23.12 23.31 3mff s ALA 182 CO 0.03 -0.28 -0.08 0.14 0.00 0.00 0.00 175.76 175.57 3mff s VAL 183 N -2.61 1.46 -0.07 0.00 -7.23 0.79 -0.34 120.40 112.40 3mff s VAL 183 Ca -0.05 -2.12 -0.15 0.00 -1.81 0.00 0.00 61.98 57.85 3mff s VAL 183 Cb -0.01 -2.20 0.03 0.00 0.56 0.00 0.00 36.38 34.76 3mff s VAL 183 CO -0.05 -0.47 0.36 0.00 -0.31 0.00 0.00 175.10 174.62 3mff s ALA 184 N -3.14 -0.90 0.11 1.32 0.00 -0.72 -1.97 121.76 116.46 3mff s ALA 184 Ca 0.25 0.71 -0.06 0.00 0.00 0.00 0.00 51.96 52.86 3mff s ALA 184 Cb 0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 3mff s ALA 184 CO 0.08 -0.23 0.14 1.67 0.00 0.00 0.00 175.76 177.42 3mff s TRP 185 N -0.62 0.42 0.09 0.00 -2.14 -0.01 -0.25 118.94 116.43 3mff s TRP 185 Ca -0.07 -0.85 -0.11 0.00 2.66 0.00 0.00 56.10 57.73 3mff s TRP 185 Cb -0.04 -0.20 0.01 0.00 -3.10 0.00 0.00 33.47 30.14 3mff s TRP 185 CO 0.03 -0.55 0.24 0.45 -2.66 0.00 0.00 176.95 174.46 3mff s SER 186 N -2.93 0.02 0.00 -2.66 0.15 -1.02 -1.04 113.70 106.22 3mff s SER 186 Ca 0.12 -0.53 0.18 0.00 0.70 0.00 0.00 55.95 56.42 3mff s SER 186 Cb 0.06 0.37 0.27 0.00 -1.71 0.00 0.00 66.02 65.00 3mff s SER 186 CO -0.06 -0.74 1.19 -0.46 1.20 0.00 0.00 173.24 174.38 3mff n ASN 187 N -0.01 2.86 -4.68 5.45 0.23 -1.26 -2.53 115.26 115.32 3mff n ASN 187 Ca -0.16 -1.84 -0.41 0.00 -0.53 0.00 0.00 54.58 51.64 3mff n ASN 187 Cb 0.62 -0.13 -0.05 0.00 -2.08 0.00 0.00 39.78 38.15 3mff n ASN 187 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3mff s LYS 188 N -1.34 4.31 0.41 -3.83 3.01 -1.26 -4.39 119.74 116.64 3mff s LYS 188 Ca 0.27 0.88 0.28 0.00 -1.01 0.00 0.00 55.97 56.39 3mff s LYS 188 Cb 0.17 -3.54 1.04 0.00 -1.01 0.00 0.00 37.83 34.48 3mff s LYS 188 CO 0.24 -0.21 1.83 0.66 0.51 0.00 0.00 175.35 178.38 3mff h SER 189 N 7.23 0.00 0.04 2.83 4.64 -1.94 -2.17 113.55 124.18 3mff h SER 189 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3mff h SER 189 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3mff h SER 189 CO 0.80 0.00 -0.00 -0.90 -0.87 0.00 0.00 176.83 175.86 3mff n ASP 190 N -2.75 0.20 -4.70 4.97 5.68 -1.26 -4.90 116.55 113.80 3mff n ASP 190 Ca 0.02 -1.00 -0.42 0.00 -0.50 0.00 0.00 54.79 52.89 3mff n ASP 190 Cb 0.33 -0.02 -0.03 0.00 -1.14 0.00 0.00 41.12 40.26 3mff n ASP 190 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 3mff s PHE 191 N -2.05 2.76 -0.03 2.11 5.36 -0.82 -5.00 117.98 120.31 3mff s PHE 191 Ca 0.45 0.61 0.04 0.00 -0.96 0.00 0.00 56.93 57.07 3mff s PHE 191 Cb 0.22 -3.82 -0.00 0.00 -0.34 0.00 0.00 43.02 39.07 3mff s PHE 191 CO 0.37 -3.14 -0.15 0.00 -1.46 0.00 0.00 175.22 170.85 3mff s ALA 192 N 2.13 1.31 0.48 11.12 0.00 -1.26 -5.06 121.76 130.49 3mff s ALA 192 Ca 0.69 -0.59 0.16 0.00 0.00 0.00 0.00 51.96 52.22 3mff s ALA 192 Cb -0.37 -0.43 1.17 0.00 0.00 0.00 0.00 23.12 23.49 3mff s ALA 192 CO 0.30 0.24 2.06 0.00 0.00 0.00 0.00 175.76 178.37 3mff h ALA 194 N 1.83 2.03 -0.00 0.00 0.00 -1.97 -2.33 119.26 118.82 3mff h ALA 194 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3mff h ALA 194 Cb 0.34 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3mff h ALA 194 CO -0.02 -0.30 -0.39 0.09 0.00 0.00 0.00 179.25 178.62 3mff n ASN 195 N -4.15 0.66 0.17 0.00 3.02 -0.84 -3.71 115.26 110.40 3mff n ASN 195 Ca 0.02 -0.45 0.07 0.00 -0.03 0.00 0.00 54.58 54.20 3mff n ASN 195 Cb 0.33 0.18 0.08 0.00 -0.61 0.00 0.00 39.78 39.76 3mff n ASN 195 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mff h ALA 196 N 3.24 0.81 -3.92 5.41 0.00 -1.50 -3.44 119.26 119.87 3mff h ALA 196 Ca 0.00 -0.24 -0.60 0.00 0.00 0.00 0.00 54.91 54.07 3mff h ALA 196 Cb 0.50 -0.02 -0.24 0.00 0.00 0.00 0.00 17.79 18.03 3mff h ALA 196 CO 0.00 0.31 -0.84 -0.06 0.00 0.00 0.00 179.25 178.66 3mff s PHE 197 N -3.10 1.94 -0.84 0.00 0.08 -1.24 -1.02 117.98 113.79 3mff s PHE 197 Ca 0.05 -0.40 -0.25 0.00 0.12 0.00 0.00 56.93 56.45 3mff s PHE 197 Cb 0.07 -1.10 0.03 0.00 -0.57 0.00 0.00 43.02 41.44 3mff s PHE 197 CO 0.72 0.18 1.46 1.21 -0.10 0.00 0.00 175.22 178.68 3mff s ASN 198 N -1.60 6.11 0.57 1.36 3.84 0.31 -4.70 114.94 120.83 3mff s ASN 198 Ca 0.09 -0.76 0.38 0.00 0.21 0.00 0.00 52.86 52.78 3mff s ASN 198 Cb -0.10 -2.56 2.02 0.00 -0.55 0.00 0.00 41.25 40.06 3mff s ASN 198 CO 0.03 -1.85 2.16 0.78 -2.79 0.00 0.00 177.10 175.44 3mff h ASN 199 N 10.56 0.00 1.00 -4.21 2.35 -1.87 -2.04 115.58 121.36 3mff h ASN 199 Ca -0.07 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.65 3mff h ASN 199 Cb 1.04 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.41 3mff h ASN 199 CO 1.32 0.00 -0.15 0.28 -1.65 0.00 0.00 177.43 177.24 3mff h SER 200 N 0.00 0.00 0.00 5.81 0.02 -1.98 -3.35 113.55 114.05 3mff h SER 200 Ca 0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 3mff h SER 200 Cb 0.06 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 3mff h SER 200 CO 0.00 0.15 -1.33 -0.38 -1.14 0.00 0.00 176.83 174.13 3mff n ILE 201 N -3.29 0.33 -0.77 3.27 2.08 -0.80 -5.05 119.36 115.13 3mff n ILE 201 Ca 0.00 -0.20 -0.30 0.00 0.56 0.00 0.00 62.75 62.81 3mff n ILE 201 Cb 0.40 -0.87 0.18 0.00 -0.75 0.00 0.00 39.64 38.60 3mff n ILE 201 CO 0.00 0.00 0.00 0.27 0.56 0.00 0.00 176.55 177.38 3mff s ILE 202 N -2.12 2.24 0.35 1.39 -4.36 -1.04 -4.89 121.20 112.77 3mff s ILE 202 Ca -0.02 0.08 -0.25 0.00 -0.26 0.00 0.00 60.65 60.19 3mff s ILE 202 Cb 0.01 -2.22 -0.13 0.00 1.25 0.00 0.00 42.46 41.37 3mff s ILE 202 CO 0.20 -0.10 0.74 -2.65 0.24 0.00 0.00 174.94 173.36 3mff n PRO 203 N -4.34 0.82 0.09 0.37 -0.02 -1.26 -4.85 135.00 125.81 3mff n PRO 203 Ca 0.08 0.29 0.03 0.00 -2.02 0.00 0.00 63.50 61.89 3mff n PRO 203 Cb 0.53 -1.60 0.42 0.00 -0.02 0.00 0.00 33.50 32.84 3mff n PRO 203 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3mff h GLU 204 N 1.28 0.32 -0.89 -0.52 4.57 -1.94 -2.75 114.58 114.65 3mff h GLU 204 Ca -0.39 -0.05 -0.50 0.00 -1.18 0.00 0.00 59.36 57.24 3mff h GLU 204 Cb 1.38 -0.06 -0.28 0.00 -0.16 0.00 0.00 28.75 29.63 3mff h GLU 204 CO 0.56 0.34 0.55 -0.25 -1.18 0.00 0.00 179.01 179.03 3mff n ASP 205 N -4.36 4.34 -4.68 1.04 10.43 -1.26 -4.98 116.55 117.07 3mff n ASP 205 Ca 0.00 -3.68 -0.42 0.00 2.57 0.00 0.00 54.79 53.26 3mff n ASP 205 Cb 0.19 -0.82 -0.03 0.00 1.84 0.00 0.00 41.12 42.29 3mff n ASP 205 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3mff s THR 206 N -3.62 2.93 -0.14 -3.53 2.01 -1.04 -4.73 115.64 107.51 3mff s THR 206 Ca 0.56 0.31 -0.21 0.00 0.31 0.00 0.00 61.69 62.66 3mff s THR 206 Cb 0.47 -3.20 -0.03 0.00 0.01 0.00 0.00 72.50 69.75 3mff s THR 206 CO 0.07 -0.01 0.62 0.12 -0.69 0.00 0.00 174.62 174.73 3mff s PHE 207 N 3.05 3.47 -0.63 4.92 5.36 -0.29 -4.94 117.98 128.91 3mff s PHE 207 Ca 0.78 1.02 0.06 0.00 -0.96 0.00 0.00 56.93 57.83 3mff s PHE 207 Cb -0.42 -2.74 0.22 0.00 -0.34 0.00 0.00 43.02 39.74 3mff s PHE 207 CO 0.35 -0.01 0.64 1.19 -1.46 0.00 0.00 175.22 175.92 3mff n PHE 208 N 4.32 3.07 -2.16 10.12 3.72 -1.26 -0.98 117.46 134.29 3mff n PHE 208 Ca -0.03 -4.13 -0.37 0.00 -0.05 0.00 0.00 57.45 52.88 3mff n PHE 208 Cb 0.51 -0.53 0.01 0.00 -0.94 0.00 0.00 39.48 38.52 3mff n PHE 208 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3mff s PRO 209 N -1.98 3.47 0.00 -1.08 0.04 -1.26 -5.05 135.00 129.14 3mff s PRO 209 Ca 0.35 1.80 0.29 0.00 0.04 0.00 0.00 61.00 63.48 3mff s PRO 209 Cb 0.09 -2.22 1.76 0.00 0.04 0.00 0.00 34.50 34.16 3mff s PRO 209 CO -0.07 -0.80 2.09 0.43 0.04 0.00 0.00 177.00 178.69