#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 1.16 -0.18 1.69 1.01 -1.26 -3.24 120.40 119.58 3mff s VAL 12 Ca 0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 3mff s VAL 12 Cb 0.00 -1.15 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 3mff s VAL 12 CO 0.00 0.39 -0.08 -0.13 0.00 0.00 0.00 175.10 175.28 3mff s ARG 13 N 1.61 3.39 0.10 2.72 0.52 0.20 -4.28 118.95 123.21 3mff s ARG 13 Ca 0.04 -0.64 0.05 0.00 -0.52 0.00 0.00 55.73 54.65 3mff s ARG 13 Cb -0.13 -2.86 -0.04 0.00 0.52 0.00 0.00 34.95 32.44 3mff s ARG 13 CO -0.08 -0.03 0.02 -0.65 0.02 0.00 0.00 175.30 174.58 3mff s GLN 14 N 1.01 2.60 -0.01 3.54 -0.21 -1.26 -0.92 119.66 124.42 3mff s GLN 14 Ca -0.00 -0.84 -0.12 0.00 0.02 0.00 0.00 55.36 54.41 3mff s GLN 14 Cb -0.15 -2.56 0.02 0.00 1.00 0.00 0.00 33.01 31.32 3mff s GLN 14 CO -0.01 0.53 0.25 -1.54 -2.12 0.00 0.00 175.29 172.41 3mff s SER 15 N -2.42 -0.12 1.02 5.90 1.04 -0.90 -4.72 113.70 113.50 3mff s SER 15 Ca 0.27 -0.02 -0.09 0.00 0.48 0.00 0.00 55.95 56.58 3mff s SER 15 Cb -0.11 0.28 0.13 0.00 0.10 0.00 0.00 66.02 66.41 3mff s SER 15 CO 0.19 -0.43 0.68 -0.81 0.98 0.00 0.00 173.24 173.85 3mff n PRO 16 N 1.30 -0.91 0.08 4.02 -0.04 -1.26 -1.05 135.00 137.14 3mff n PRO 16 Ca -0.22 -1.06 -0.11 0.00 -0.04 0.00 0.00 63.50 62.07 3mff n PRO 16 Cb 0.56 -0.74 -0.09 0.00 -0.04 0.00 0.00 33.50 33.18 3mff n PRO 16 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3mff h GLN 17 N 0.00 0.16 -3.30 0.54 1.08 -1.85 -3.41 115.11 108.34 3mff h GLN 17 Ca -0.23 -0.24 -0.02 0.00 -1.45 0.00 0.00 58.65 56.72 3mff h GLN 17 Cb 0.63 0.08 -0.10 0.00 -0.05 0.00 0.00 27.48 28.05 3mff h GLN 17 CO 0.16 1.07 0.04 -1.54 -0.95 0.00 0.00 178.83 177.61 3mff s SER 18 N -6.94 -0.26 -0.28 1.46 1.04 -1.26 -1.24 113.70 106.22 3mff s SER 18 Ca -0.02 -0.51 -0.22 0.00 0.48 0.00 0.00 55.95 55.69 3mff s SER 18 Cb 0.09 0.59 0.10 0.00 0.10 0.00 0.00 66.02 66.90 3mff s SER 18 CO 0.85 -1.08 0.84 -0.22 0.98 0.00 0.00 173.24 174.61 3mff s LEU 19 N -2.88 -0.68 -0.08 2.42 2.96 -0.41 -4.91 118.68 115.11 3mff s LEU 19 Ca 0.10 1.21 0.05 0.00 -0.22 0.00 0.00 54.13 55.27 3mff s LEU 19 Cb -0.01 2.18 -0.01 0.00 0.50 0.00 0.00 46.19 48.85 3mff s LEU 19 CO -0.02 -0.20 -0.23 -0.89 -1.32 0.00 0.00 176.35 173.70 3mff s THR 20 N 0.77 2.25 0.07 3.68 2.01 -1.26 -0.74 115.64 122.42 3mff s THR 20 Ca -0.03 -0.98 0.00 0.00 0.31 0.00 0.00 61.69 60.99 3mff s THR 20 Cb -0.05 -1.85 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 3mff s THR 20 CO -0.08 0.56 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.67 3mff s VAL 21 N 0.00 0.45 0.01 3.82 1.01 -0.02 -4.97 120.40 120.70 3mff s VAL 21 Ca -0.08 -1.85 -0.10 0.00 0.00 0.00 0.00 61.98 59.95 3mff s VAL 21 Cb -0.15 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 3mff s VAL 21 CO 0.05 -0.93 0.33 0.26 0.00 0.00 0.00 175.10 174.82 3mff s TRP 22 N -3.72 3.63 -0.04 5.22 0.52 -1.26 -0.46 118.94 122.82 3mff s TRP 22 Ca 0.09 0.77 -0.40 0.00 0.02 0.00 0.00 56.10 56.57 3mff s TRP 22 Cb 0.06 -2.13 -0.19 0.00 -1.15 0.00 0.00 33.47 30.06 3mff s TRP 22 CO -0.07 0.62 1.18 -1.91 0.02 0.00 0.00 176.95 176.78 3mff n GLU 23 N 1.42 0.19 0.00 4.98 2.13 0.34 -1.77 120.64 127.92 3mff n GLU 23 Ca -0.13 0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.76 3mff n GLU 23 Cb 0.53 -1.59 0.00 0.00 0.27 0.00 0.00 31.44 30.64 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 1.95 2.98 3.84 8.31 0.00 0.57 -4.80 105.19 118.04 3mff n GLY 24 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.57 3.21 -0.19 1.61 2.02 -0.73 -3.98 118.70 120.07 3mff s GLU 25 Ca 0.00 0.88 -0.20 0.00 0.02 0.00 0.00 54.97 55.67 3mff s GLU 25 Cb 0.00 -2.03 -0.03 0.00 0.10 0.00 0.00 34.13 32.18 3mff s GLU 25 CO 0.00 -0.88 0.60 0.99 0.02 0.00 0.00 175.26 175.99 3mff s THR 26 N -3.09 5.05 -0.14 3.63 2.01 -1.26 -0.81 115.64 121.03 3mff s THR 26 Ca 0.57 1.13 -0.13 0.00 0.31 0.00 0.00 61.69 63.57 3mff s THR 26 Cb -0.13 -3.92 -0.05 0.00 0.01 0.00 0.00 72.50 68.42 3mff s THR 26 CO 0.54 0.14 0.30 -0.89 -0.69 0.00 0.00 174.62 174.02 3mff s THR 27 N 1.75 5.29 -0.21 -0.82 2.01 -0.20 -4.94 115.64 118.52 3mff s THR 27 Ca 0.28 0.57 -0.02 0.00 0.31 0.00 0.00 61.69 62.83 3mff s THR 27 Cb -0.16 -3.63 0.01 0.00 0.01 0.00 0.00 72.50 68.73 3mff s THR 27 CO 0.10 0.43 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.73 3mff s ILE 28 N 0.18 2.81 -0.19 1.82 1.01 -1.26 -0.31 121.20 125.25 3mff s ILE 28 Ca 0.17 -0.74 -0.01 0.00 0.00 0.00 0.00 60.65 60.08 3mff s ILE 28 Cb -0.13 -2.27 0.01 0.00 0.01 0.00 0.00 42.46 40.07 3mff s ILE 28 CO 0.05 0.43 -0.14 -0.76 0.00 0.00 0.00 174.94 174.52 3mff s LEU 29 N 1.39 2.43 0.11 2.97 1.43 0.12 -4.78 118.68 122.36 3mff s LEU 29 Ca 0.05 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 3mff s LEU 29 Cb -0.14 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 3mff s LEU 29 CO -0.07 0.00 0.27 0.20 0.23 0.00 0.00 176.35 176.98 3mff s ASN 30 N 1.31 6.36 -0.15 2.29 0.01 -0.21 -0.43 114.94 124.12 3mff s ASN 30 Ca 0.04 0.27 -0.13 0.00 -0.71 0.00 0.00 52.86 52.32 3mff s ASN 30 Cb -0.14 -1.95 0.04 0.00 0.41 0.00 0.00 41.25 39.61 3mff s ASN 30 CO -0.08 0.10 0.39 0.00 -1.51 0.00 0.00 177.10 176.00 3mff s SER 32 N 0.26 0.67 0.11 0.00 1.04 -0.09 -0.50 113.70 115.18 3mff s SER 32 Ca -0.00 -0.91 -0.03 0.00 0.48 0.00 0.00 55.95 55.49 3mff s SER 32 Cb -0.03 0.15 -0.03 0.00 0.10 0.00 0.00 66.02 66.21 3mff s SER 32 CO -0.00 -0.50 0.09 -0.72 0.98 0.00 0.00 173.24 173.09 3mff s TYR 33 N -3.35 0.62 -0.08 5.02 -0.85 -0.90 -0.63 117.35 117.18 3mff s TYR 33 Ca 0.04 -1.04 0.13 0.00 -0.52 0.00 0.00 57.07 55.69 3mff s TYR 33 Cb 0.04 -0.34 -0.19 0.00 0.38 0.00 0.00 41.96 41.85 3mff s TYR 33 CO -0.07 -0.52 0.17 0.39 -1.52 0.00 0.00 175.55 174.00 3mff n GLU 34 N -0.06 1.17 -2.82 -3.49 -0.58 -1.20 -4.83 120.64 108.83 3mff n GLU 34 Ca -0.09 -0.07 -0.43 0.00 -0.42 0.00 0.00 57.16 56.16 3mff n GLU 34 Cb 0.63 -1.34 -0.04 0.00 -0.57 0.00 0.00 31.44 30.12 3mff n GLU 34 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 3mff s ASN 35 N -4.18 6.52 0.01 1.62 3.84 -1.26 -4.87 114.94 116.61 3mff s ASN 35 Ca -0.06 0.16 0.12 0.00 0.21 0.00 0.00 52.86 53.29 3mff s ASN 35 Cb 0.06 -2.45 0.51 0.00 -0.55 0.00 0.00 41.25 38.82 3mff s ASN 35 CO 0.57 -1.03 1.38 -1.54 -2.79 0.00 0.00 177.10 173.69 3mff n SER 36 N 7.12 0.02 -0.04 -4.21 3.41 -1.26 -2.46 113.62 116.20 3mff n SER 36 Ca 0.06 0.50 0.15 0.00 -0.26 0.00 0.00 58.87 59.32 3mff n SER 36 Cb 0.48 -0.51 0.72 0.00 -0.26 0.00 0.00 64.21 64.65 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 -1.51 2.60 -2.01 7.33 0.00 -1.26 -4.88 120.51 120.78 3mff n ALA 37 Ca 0.03 -0.19 -0.41 0.00 0.00 0.00 0.00 53.44 52.87 3mff n ALA 37 Cb 0.14 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.12 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 -2.51 3.35 0.00 0.00 0.08 -1.03 -3.96 117.98 113.91 3mff s PHE 38 Ca 0.30 1.36 0.00 0.00 0.12 0.00 0.00 56.93 58.70 3mff s PHE 38 Cb 0.20 -3.50 0.00 0.00 -0.57 0.00 0.00 43.02 39.15 3mff s PHE 38 CO 0.46 -1.47 0.01 -0.40 -0.10 0.00 0.00 175.22 173.73 3mff n ASP 39 N 2.40 0.02 -3.85 1.36 5.68 0.15 -4.85 116.55 117.47 3mff n ASP 39 Ca 0.05 -0.18 -0.21 0.00 -0.50 0.00 0.00 54.79 53.94 3mff n ASP 39 Cb 0.44 0.22 -0.17 0.00 -1.14 0.00 0.00 41.12 40.47 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 -0.22 0.70 -0.52 2.11 5.04 -0.13 -0.07 117.35 124.26 3mff s TYR 40 Ca 0.00 -0.19 0.03 0.00 -2.44 0.00 0.00 57.07 54.48 3mff s TYR 40 Cb 0.00 -0.70 0.15 0.00 0.35 0.00 0.00 41.96 41.76 3mff s TYR 40 CO 0.00 -0.24 0.34 -0.06 -1.34 0.00 0.00 175.55 174.25 3mff s PHE 41 N 1.28 2.33 0.31 4.97 0.08 0.35 -1.42 117.98 125.88 3mff s PHE 41 Ca -0.05 -2.72 -0.24 0.00 0.12 0.00 0.00 56.93 54.04 3mff s PHE 41 Cb -0.14 -1.97 -0.10 0.00 -0.57 0.00 0.00 43.02 40.24 3mff s PHE 41 CO -0.02 -0.72 0.89 -1.25 -0.10 0.00 0.00 175.22 174.02 3mff s PRO 42 N -0.28 4.45 -0.19 0.24 0.04 -1.22 -2.35 135.00 135.69 3mff s PRO 42 Ca 0.23 1.18 -0.09 0.00 0.04 0.00 0.00 61.00 62.36 3mff s PRO 42 Cb -0.12 -2.74 -0.04 0.00 0.04 0.00 0.00 34.50 31.63 3mff s PRO 42 CO -0.09 0.27 0.09 -1.58 0.04 0.00 0.00 177.00 175.73 3mff s TRP 43 N -1.66 3.31 -0.13 0.56 0.52 0.28 -1.34 118.94 120.48 3mff s TRP 43 Ca 0.50 0.16 -0.03 0.00 0.02 0.00 0.00 56.10 56.75 3mff s TRP 43 Cb -0.17 -2.12 -0.03 0.00 -1.15 0.00 0.00 33.47 30.00 3mff s TRP 43 CO 0.22 0.19 -0.02 0.71 0.02 0.00 0.00 176.95 178.07 3mff s TYR 44 N 0.43 3.08 -0.20 -1.98 2.02 -0.24 -0.24 117.35 120.23 3mff s TYR 44 Ca 0.05 -0.09 -0.06 0.00 -0.37 0.00 0.00 57.07 56.60 3mff s TYR 44 Cb -0.12 -1.91 -0.03 0.00 -0.40 0.00 0.00 41.96 39.50 3mff s TYR 44 CO -0.00 0.16 0.03 -1.14 -1.57 0.00 0.00 175.55 173.02 3mff s GLN 45 N -0.07 3.72 -0.30 -0.62 0.74 0.62 -0.78 119.66 122.97 3mff s GLN 45 Ca 0.03 -0.47 -0.00 0.00 0.05 0.00 0.00 55.36 54.97 3mff s GLN 45 Cb -0.13 -3.14 0.06 0.00 1.10 0.00 0.00 33.01 30.90 3mff s GLN 45 CO 0.02 0.07 -0.01 -1.14 -0.55 0.00 0.00 175.29 173.68 3mff s GLN 46 N 0.87 2.30 0.51 1.67 0.74 0.48 -0.99 119.66 125.24 3mff s GLN 46 Ca 0.02 -1.36 -0.17 0.00 0.05 0.00 0.00 55.36 53.90 3mff s GLN 46 Cb -0.14 -3.13 -0.08 0.00 1.10 0.00 0.00 33.01 30.76 3mff s GLN 46 CO 0.02 -0.66 0.99 -0.06 -0.55 0.00 0.00 175.29 175.03 3mff s PHE 47 N 1.19 3.44 0.32 1.67 0.08 -1.26 -1.33 117.98 122.08 3mff s PHE 47 Ca -0.04 1.47 -0.28 0.00 0.12 0.00 0.00 56.93 58.20 3mff s PHE 47 Cb -0.20 -2.80 -0.13 0.00 -0.57 0.00 0.00 43.02 39.32 3mff s PHE 47 CO -0.03 -0.38 1.09 -2.30 -0.10 0.00 0.00 175.22 173.50 3mff n PRO 48 N -1.57 1.58 -1.07 0.24 -0.02 -1.26 -1.72 135.00 131.18 3mff n PRO 48 Ca 0.07 0.55 -0.02 0.00 -2.02 0.00 0.00 63.50 62.08 3mff n PRO 48 Cb 0.54 -2.01 -0.01 0.00 -0.02 0.00 0.00 33.50 32.00 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 1.08 0.26 3.46 -1.23 0.00 -1.26 -4.97 105.19 102.53 3mff n GLY 49 Ca 0.08 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.05 1.63 0.55 1.61 2.02 -0.70 -5.15 118.70 116.61 3mff s GLU 50 Ca 0.00 -1.83 -0.17 0.00 0.02 0.00 0.00 54.97 52.99 3mff s GLU 50 Cb 0.00 -1.33 -0.06 0.00 0.10 0.00 0.00 34.13 32.84 3mff s GLU 50 CO 0.00 0.08 1.03 0.20 0.02 0.00 0.00 175.26 176.59 3mff s GLY 51 N -3.49 2.18 0.75 -1.39 0.00 -1.26 -4.63 107.32 99.47 3mff s GLY 51 Ca 0.30 0.37 -0.14 0.00 0.00 0.00 0.00 44.72 45.25 3mff s GLY 51 CO 0.13 0.67 1.21 -4.14 0.00 0.00 0.00 173.10 170.97 3mff s PRO 52 N -3.91 2.02 -0.03 2.90 0.02 -1.26 -4.55 135.00 130.19 3mff s PRO 52 Ca 0.63 1.75 -0.02 0.00 0.02 0.00 0.00 61.00 63.38 3mff s PRO 52 Cb -0.14 -1.82 0.01 0.00 0.02 0.00 0.00 34.50 32.57 3mff s PRO 52 CO 0.32 -1.93 0.07 0.00 -0.33 0.00 0.00 177.00 175.13 3mff s ALA 53 N -2.04 -0.14 0.07 -1.55 0.00 -0.16 -4.93 121.76 113.01 3mff s ALA 53 Ca 0.74 0.25 -0.34 0.00 0.00 0.00 0.00 51.96 52.61 3mff s ALA 53 Cb -0.29 -0.16 -0.13 0.00 0.00 0.00 0.00 23.12 22.54 3mff s ALA 53 CO 0.47 -0.05 1.67 -0.11 0.00 0.00 0.00 175.76 177.73 3mff n LEU 54 N 3.33 3.17 -0.08 0.00 7.94 -1.26 -0.27 117.00 129.82 3mff n LEU 54 Ca -0.16 1.05 -0.16 0.00 -1.11 0.00 0.00 56.01 55.63 3mff n LEU 54 Cb 0.57 -1.40 -0.05 0.00 0.53 0.00 0.00 43.42 43.07 3mff n LEU 54 CO 0.23 -0.23 -0.94 -0.11 -1.11 0.00 0.00 177.39 175.23 3mff n LEU 55 N 4.47 1.39 -3.58 -1.96 7.94 0.67 -4.85 117.00 121.10 3mff n LEU 55 Ca 0.19 0.24 -0.13 0.00 -1.11 0.00 0.00 56.01 55.20 3mff n LEU 55 Cb 0.29 -0.56 -0.06 0.00 0.53 0.00 0.00 43.42 43.62 3mff n LEU 55 CO 0.67 0.15 0.65 -0.51 -1.11 0.00 0.00 177.39 177.24 3mff s ILE 56 N -2.41 0.00 -0.04 1.96 2.07 -1.13 -5.02 121.20 116.63 3mff s ILE 56 Ca -0.24 0.00 -0.10 0.00 -1.41 0.00 0.00 60.65 58.90 3mff s ILE 56 Cb 0.08 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.69 3mff s ILE 56 CO 0.31 0.00 0.24 0.00 -1.91 0.00 0.00 174.94 173.58 3mff s ALA 57 N -0.81 -0.60 0.11 1.50 0.00 -1.26 0.10 121.76 120.80 3mff s ALA 57 Ca -0.03 0.36 0.08 0.00 0.00 0.00 0.00 51.96 52.37 3mff s ALA 57 Cb -0.01 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 3mff s ALA 57 CO 0.03 -0.19 -0.19 -1.50 0.00 0.00 0.00 175.76 173.90 3mff s ILE 58 N -0.75 1.63 0.13 0.00 2.07 -0.99 -4.91 121.20 118.38 3mff s ILE 58 Ca -0.08 -1.58 0.07 0.00 -1.41 0.00 0.00 60.65 57.64 3mff s ILE 58 Cb -0.05 -1.54 -0.04 0.00 0.13 0.00 0.00 42.46 40.97 3mff s ILE 58 CO 0.02 -0.14 -0.06 -0.13 -1.91 0.00 0.00 174.94 172.71 3mff s ARG 59 N -2.07 2.23 0.20 3.50 0.52 -1.26 -0.50 118.95 121.57 3mff s ARG 59 Ca 0.07 -1.04 0.18 0.00 -0.52 0.00 0.00 55.73 54.41 3mff s ARG 59 Cb -0.09 -2.33 0.84 0.00 0.52 0.00 0.00 34.95 33.89 3mff s ARG 59 CO 0.04 0.49 1.55 -1.13 0.02 0.00 0.00 175.30 176.28 3mff n SER 60 N 0.43 0.43 0.01 0.23 3.41 0.91 -1.18 113.62 117.86 3mff n SER 60 Ca -0.12 0.65 0.05 0.00 -0.26 0.00 0.00 58.87 59.19 3mff n SER 60 Cb 0.53 -0.73 0.20 0.00 -0.26 0.00 0.00 64.21 63.96 3mff n SER 60 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 3mff n VAL 61 N -2.03 1.38 -4.48 -3.33 3.14 -1.26 -4.82 118.33 106.94 3mff n VAL 61 Ca 0.01 0.36 -0.28 0.00 -2.96 0.00 0.00 64.34 61.47 3mff n VAL 61 Cb 0.12 -1.22 -0.13 0.00 -1.06 0.00 0.00 33.84 31.55 3mff n VAL 61 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 3mff s SER 62 N -3.07 3.01 0.04 6.55 0.01 -0.33 -5.04 113.70 114.86 3mff s SER 62 Ca 0.04 -0.68 -0.07 0.00 1.31 0.00 0.00 55.95 56.55 3mff s SER 62 Cb 0.06 -0.21 -0.30 0.00 0.21 0.00 0.00 66.02 65.78 3mff s SER 62 CO 0.17 0.16 0.99 0.44 0.41 0.00 0.00 173.24 175.41 3mff h ASP 63 N 4.19 0.51 -5.02 2.44 3.32 -1.86 -3.44 116.42 116.55 3mff h ASP 63 Ca -0.48 -0.60 -0.09 0.00 0.02 0.00 0.00 57.03 55.88 3mff h ASP 63 Cb 1.17 -0.17 -0.18 0.00 0.22 0.00 0.00 39.33 40.37 3mff h ASP 63 CO 0.40 1.48 -0.13 -1.59 -1.72 0.00 0.00 179.24 177.69 3mff s LYS 64 N -2.63 0.86 -0.10 3.56 -2.85 -1.26 -0.54 119.74 116.78 3mff s LYS 64 Ca -0.07 -0.25 -0.01 0.00 -1.00 0.00 0.00 55.97 54.63 3mff s LYS 64 Cb 0.06 0.38 0.03 0.00 -2.06 0.00 0.00 37.83 36.24 3mff s LYS 64 CO 0.88 -0.27 -0.03 0.21 0.10 0.00 0.00 175.35 176.24 3mff s LYS 65 N -2.01 0.98 -0.20 1.78 2.47 -0.69 -4.99 119.74 117.08 3mff s LYS 65 Ca -0.08 -0.07 -0.01 0.00 -1.56 0.00 0.00 55.97 54.25 3mff s LYS 65 Cb -0.02 -1.28 0.01 0.00 -1.46 0.00 0.00 37.83 35.07 3mff s LYS 65 CO 0.01 -0.31 -0.13 -2.00 0.16 0.00 0.00 175.35 173.08 3mff s GLU 66 N 1.86 3.17 -0.42 4.03 2.12 -1.26 -0.73 118.70 127.47 3mff s GLU 66 Ca 0.05 -0.74 0.02 0.00 0.36 0.00 0.00 54.97 54.65 3mff s GLU 66 Cb -0.13 -2.76 0.13 0.00 0.26 0.00 0.00 34.13 31.64 3mff s GLU 66 CO -0.07 -0.19 0.22 0.34 -0.54 0.00 0.00 175.26 175.02 3mff s ASP 67 N 1.34 3.62 1.77 -1.70 2.15 0.70 -5.01 116.67 119.54 3mff s ASP 67 Ca 0.05 -2.49 0.00 0.00 0.43 0.00 0.00 52.55 50.54 3mff s ASP 67 Cb -0.14 -0.96 0.00 0.00 -0.30 0.00 0.00 42.92 41.53 3mff s ASP 67 CO -0.08 -0.29 0.00 0.61 -0.17 0.00 0.00 175.17 175.24 3mff n GLY 68 N 3.72 3.36 0.00 2.66 0.00 -1.26 -2.15 105.19 111.51 3mff n GLY 68 Ca 0.08 -0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 13.54 0.36 -4.19 1.61 1.74 -1.26 -4.75 116.66 123.71 3mff n ARG 69 Ca 0.00 0.07 -0.34 0.00 -0.77 0.00 0.00 57.85 56.81 3mff n ARG 69 Cb 0.00 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 29.83 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 -2.51 3.10 -0.04 -1.55 0.40 -0.92 -1.09 117.98 115.38 3mff s PHE 70 Ca 0.22 -0.20 -0.00 0.00 -0.60 0.00 0.00 56.93 56.35 3mff s PHE 70 Cb 0.15 -2.03 0.03 0.00 0.51 0.00 0.00 43.02 41.68 3mff s PHE 70 CO 0.33 -0.02 0.01 0.99 0.70 0.00 0.00 175.22 177.23 3mff s THR 71 N 0.51 0.21 -0.15 0.64 2.01 -0.51 -0.22 115.64 118.13 3mff s THR 71 Ca -0.01 0.14 -0.15 0.00 0.31 0.00 0.00 61.69 61.99 3mff s THR 71 Cb -0.14 -0.34 -0.05 0.00 0.01 0.00 0.00 72.50 71.99 3mff s THR 71 CO 0.02 0.19 0.33 -0.63 -0.69 0.00 0.00 174.62 173.83 3mff s ILE 72 N 1.45 5.28 -0.12 1.82 1.01 0.09 -0.56 121.20 130.17 3mff s ILE 72 Ca -0.04 0.62 -0.02 0.00 0.00 0.00 0.00 60.65 61.22 3mff s ILE 72 Cb -0.13 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 3mff s ILE 72 CO -0.03 0.38 -0.05 -0.36 0.00 0.00 0.00 174.94 174.89 3mff s PHE 73 N 0.44 3.00 -0.11 3.97 0.40 -0.46 -1.71 117.98 123.52 3mff s PHE 73 Ca 0.18 -0.18 0.01 0.00 -0.60 0.00 0.00 56.93 56.34 3mff s PHE 73 Cb -0.13 -1.87 0.02 0.00 0.51 0.00 0.00 43.02 41.55 3mff s PHE 73 CO 0.05 0.10 -0.13 0.12 0.70 0.00 0.00 175.22 176.07 3mff s PHE 74 N -0.08 1.79 -0.71 0.36 5.36 0.30 -1.58 117.98 123.42 3mff s PHE 74 Ca 0.02 -0.86 -0.00 0.00 -0.96 0.00 0.00 56.93 55.12 3mff s PHE 74 Cb -0.13 -1.34 0.18 0.00 -0.34 0.00 0.00 43.02 41.38 3mff s PHE 74 CO 0.03 -0.48 0.53 1.21 -1.46 0.00 0.00 175.22 175.04 3mff s ASN 75 N 1.20 5.26 0.24 6.13 3.84 0.14 -4.70 114.94 127.06 3mff s ASN 75 Ca -0.03 -3.31 -0.05 0.00 0.21 0.00 0.00 52.86 49.68 3mff s ASN 75 Cb -0.14 -1.81 0.38 0.00 -0.55 0.00 0.00 41.25 39.14 3mff s ASN 75 CO -0.04 -0.25 1.80 0.50 -2.79 0.00 0.00 177.10 176.33 3mff h LYS 76 N 6.37 0.73 -0.47 0.43 1.63 -1.94 0.40 116.57 123.72 3mff h LYS 76 Ca 0.05 -0.04 -0.12 0.00 -0.85 0.00 0.00 60.65 59.69 3mff h LYS 76 Cb 0.87 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 32.32 3mff h LYS 76 CO 0.75 0.48 -0.18 0.00 -3.45 0.00 0.00 179.45 177.06 3mff h ARG 77 N 0.75 0.94 -0.00 1.90 3.08 -1.95 -3.00 114.38 116.11 3mff h ARG 77 Ca 0.39 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3mff h ARG 77 Cb 0.36 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3mff h ARG 77 CO -0.25 1.05 -0.11 0.39 -1.07 0.00 0.00 179.97 179.98 3mff n GLU 78 N -4.17 0.52 -3.54 0.04 1.02 -1.03 -4.95 120.64 108.53 3mff n GLU 78 Ca -0.00 -0.15 -0.19 0.00 -0.02 0.00 0.00 57.16 56.79 3mff n GLU 78 Cb 0.43 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.42 3mff n GLU 78 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3mff n LYS 79 N -1.11 -5.39 -3.98 3.49 5.02 0.08 -4.91 118.16 111.37 3mff n LYS 79 Ca 0.13 0.74 -0.09 0.00 -2.02 0.00 0.00 58.31 57.06 3mff n LYS 79 Cb 0.28 -5.51 -0.11 0.00 -0.02 0.00 0.00 35.03 29.67 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 -5.58 0.30 0.25 1.97 1.02 -0.93 -2.13 119.74 114.65 3mff s LYS 80 Ca 0.05 -0.58 -0.11 0.00 0.02 0.00 0.00 55.97 55.35 3mff s LYS 80 Cb -0.01 0.09 -0.01 0.00 -0.52 0.00 0.00 37.83 37.39 3mff s LYS 80 CO 0.77 -0.04 0.45 -0.48 -0.92 0.00 0.00 175.35 175.12 3mff s LEU 81 N -1.38 0.46 -0.13 3.17 2.34 0.34 0.27 118.68 123.74 3mff s LEU 81 Ca -0.15 -1.03 -0.21 0.00 0.06 0.00 0.00 54.13 52.80 3mff s LEU 81 Cb -0.09 1.62 0.05 0.00 -0.56 0.00 0.00 46.19 47.21 3mff s LEU 81 CO -0.01 -1.13 0.53 -0.94 -1.06 0.00 0.00 176.35 173.73 3mff s SER 82 N -3.05 -0.51 -0.21 1.48 1.04 -0.61 -0.89 113.70 110.94 3mff s SER 82 Ca 0.25 0.80 -0.14 0.00 0.48 0.00 0.00 55.95 57.33 3mff s SER 82 Cb 0.00 0.81 -0.04 0.00 0.10 0.00 0.00 66.02 66.89 3mff s SER 82 CO 0.10 -0.34 0.33 -0.22 0.98 0.00 0.00 173.24 174.09 3mff s LEU 83 N -0.40 4.15 -0.16 2.42 2.96 0.43 -1.35 118.68 126.73 3mff s LEU 83 Ca -0.05 0.40 -0.03 0.00 -0.22 0.00 0.00 54.13 54.23 3mff s LEU 83 Cb -0.03 -2.39 -0.02 0.00 0.50 0.00 0.00 46.19 44.25 3mff s LEU 83 CO 0.04 -0.03 -0.06 -1.00 -1.32 0.00 0.00 176.35 173.98 3mff s HIS 84 N 1.18 2.96 -0.33 5.38 3.76 0.28 -0.70 115.29 127.82 3mff s HIS 84 Ca 0.16 -0.48 -0.07 0.00 -0.15 0.00 0.00 55.06 54.52 3mff s HIS 84 Cb -0.14 -1.96 0.03 0.00 1.11 0.00 0.00 32.58 31.62 3mff s HIS 84 CO 0.07 -0.17 0.10 0.42 -0.85 0.00 0.00 174.74 174.31 3mff s ILE 85 N 0.57 3.84 0.30 0.60 1.01 0.57 -1.43 121.20 126.66 3mff s ILE 85 Ca -0.04 -1.04 -0.28 0.00 0.00 0.00 0.00 60.65 59.29 3mff s ILE 85 Cb -0.15 -3.13 -0.09 0.00 0.01 0.00 0.00 42.46 39.10 3mff s ILE 85 CO 0.03 -0.13 1.00 -0.89 0.00 0.00 0.00 174.94 174.94 3mff s THR 86 N 1.43 3.91 -1.17 2.92 2.01 -0.25 -1.04 115.64 123.46 3mff s THR 86 Ca -0.01 1.75 -0.14 0.00 0.31 0.00 0.00 61.69 63.60 3mff s THR 86 Cb -0.19 -4.04 -0.02 0.00 0.01 0.00 0.00 72.50 68.26 3mff s THR 86 CO 0.03 0.28 0.78 -0.67 -0.69 0.00 0.00 174.62 174.35 3mff n ASP 87 N 0.90 -4.61 -4.62 3.53 2.03 -1.22 -4.79 116.55 107.75 3mff n ASP 87 Ca 0.00 -0.94 -0.46 0.00 0.52 0.00 0.00 54.79 53.91 3mff n ASP 87 Cb 0.48 -3.75 -0.03 0.00 -0.72 0.00 0.00 41.12 37.09 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 -2.84 2.00 -4.62 1.67 7.64 0.01 -4.47 113.62 113.01 3mff n SER 88 Ca -0.13 1.15 -0.30 0.00 1.01 0.00 0.00 58.87 60.60 3mff n SER 88 Cb 0.61 -1.32 -0.09 0.00 -1.01 0.00 0.00 64.21 62.40 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 -0.52 2.27 0.34 1.43 -1.52 -1.26 -0.31 119.66 120.08 3mff s GLN 89 Ca 0.69 -0.97 0.11 0.00 -1.95 0.00 0.00 55.36 53.24 3mff s GLN 89 Cb -0.74 -2.38 0.89 0.00 -0.22 0.00 0.00 33.01 30.55 3mff s GLN 89 CO 0.52 0.52 1.77 -1.35 -0.25 0.00 0.00 175.29 176.50 3mff h PRO 90 N 3.52 0.59 0.00 2.91 0.11 -1.87 0.13 132.00 137.39 3mff h PRO 90 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3mff h PRO 90 Cb 1.17 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3mff h PRO 90 CO 0.55 0.39 0.00 0.41 -0.21 0.00 0.00 178.00 179.14 3mff n GLY 91 N -1.38 -0.78 0.04 -0.55 0.00 -1.26 -1.99 105.19 99.27 3mff n GLY 91 Ca 0.24 0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.42 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 -1.65 0.18 -4.69 1.61 8.00 0.45 -4.88 116.55 115.58 3mff n ASP 92 Ca 0.01 -0.15 -0.42 0.00 0.71 0.00 0.00 54.79 54.94 3mff n ASP 92 Cb 0.08 -0.22 -0.03 0.00 -0.02 0.00 0.00 41.12 40.93 3mff n ASP 92 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3mff s SER 93 N -2.66 6.57 0.00 -2.24 0.01 -0.84 -4.88 113.70 109.66 3mff s SER 93 Ca 0.24 2.53 0.00 0.00 1.31 0.00 0.00 55.95 60.04 3mff s SER 93 Cb 0.20 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.87 3mff s SER 93 CO 0.50 -0.91 0.00 0.00 0.41 0.00 0.00 173.24 173.23 3mff n ALA 94 N 5.70 0.00 -2.74 1.44 0.00 -0.51 -4.74 120.51 119.66 3mff n ALA 94 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.24 3mff n ALA 94 Cb 0.40 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.78 3mff n ALA 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3mff s THR 95 N -2.00 5.36 -0.20 0.00 2.01 -0.44 -0.15 115.64 120.22 3mff s THR 95 Ca 0.00 0.38 -0.04 0.00 0.31 0.00 0.00 61.69 62.34 3mff s THR 95 Cb 0.00 -3.53 -0.02 0.00 0.01 0.00 0.00 72.50 68.96 3mff s THR 95 CO 0.00 0.48 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.08 3mff s TYR 96 N -0.06 3.00 -0.16 4.92 2.02 -0.31 -0.39 117.35 126.37 3mff s TYR 96 Ca 0.14 -0.61 -0.04 0.00 -0.37 0.00 0.00 57.07 56.20 3mff s TYR 96 Cb -0.12 -2.08 -0.03 0.00 -0.40 0.00 0.00 41.96 39.33 3mff s TYR 96 CO 0.03 -0.33 -0.04 -0.06 -1.57 0.00 0.00 175.55 173.58 3mff s PHE 97 N 1.12 3.02 -0.13 2.71 0.08 0.04 -1.16 117.98 123.65 3mff s PHE 97 Ca 0.02 -0.32 -0.19 0.00 0.12 0.00 0.00 56.93 56.56 3mff s PHE 97 Cb -0.14 -1.96 -0.04 0.00 -0.57 0.00 0.00 43.02 40.31 3mff s PHE 97 CO 0.01 -0.05 0.52 0.00 -0.10 0.00 0.00 175.22 175.60 3mff s ALA 99 N 0.90 2.55 -0.14 0.00 0.00 -0.45 -0.29 121.76 124.33 3mff s ALA 99 Ca 0.27 -2.05 -0.25 0.00 0.00 0.00 0.00 51.96 49.93 3mff s ALA 99 Cb -0.16 0.33 0.06 0.00 0.00 0.00 0.00 23.12 23.36 3mff s ALA 99 CO 0.11 -0.15 0.64 0.00 0.00 0.00 0.00 175.76 176.35 3mff s ALA 100 N -3.03 -1.61 0.11 0.00 0.00 -0.28 -3.42 121.76 113.53 3mff s ALA 100 Ca 0.33 1.49 -0.25 0.00 0.00 0.00 0.00 51.96 53.54 3mff s ALA 100 Cb 0.07 -0.53 0.07 0.00 0.00 0.00 0.00 23.12 22.73 3mff s ALA 100 CO 0.15 -0.33 0.64 -0.08 0.00 0.00 0.00 175.76 176.13 3mff s THR 101 N -0.44 0.00 0.33 0.00 -1.32 -0.51 -1.86 115.64 111.85 3mff s THR 101 Ca -0.06 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.45 3mff s THR 101 Cb -0.03 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.91 3mff s THR 101 CO 0.05 0.00 0.09 -0.83 -2.21 0.00 0.00 174.62 171.72 3mff s GLY 102 N -2.45 2.13 0.31 6.08 0.00 -1.25 0.33 107.32 112.46 3mff s GLY 102 Ca -0.01 -1.78 0.05 0.00 0.00 0.00 0.00 44.72 42.98 3mff s GLY 102 CO -0.09 -1.75 1.80 0.00 0.00 0.00 0.00 173.10 173.07 3mff h ALA 103 N 2.10 1.67 -0.41 3.20 0.00 -1.96 -2.85 119.26 121.01 3mff h ALA 103 Ca -0.38 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.46 3mff h ALA 103 Cb 1.25 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.85 3mff h ALA 103 CO 0.63 0.01 0.05 0.09 0.00 0.00 0.00 179.25 180.03 3mff n ASN 104 N -4.70 3.55 -4.28 0.00 5.03 -1.26 -4.95 115.26 108.65 3mff n ASN 104 Ca 0.22 -3.35 -0.27 0.00 0.87 0.00 0.00 54.58 52.04 3mff n ASN 104 Cb 0.51 -0.63 -0.14 0.00 -1.02 0.00 0.00 39.78 38.50 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 -3.03 1.85 0.00 3.41 -4.23 -1.08 -5.12 115.64 107.44 3mff s THR 105 Ca 0.46 -1.24 0.00 0.00 -1.18 0.00 0.00 61.69 59.73 3mff s THR 105 Cb 0.39 -1.59 0.00 0.00 1.34 0.00 0.00 72.50 72.64 3mff s THR 105 CO 0.07 0.30 0.00 0.61 -0.54 0.00 0.00 174.62 175.05 3mff n GLY 106 N 1.89 -2.35 3.82 3.99 0.00 -1.26 -4.51 105.19 106.78 3mff n GLY 106 Ca -0.17 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 3mff n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mff s LYS 107 N 0.00 3.59 0.18 1.61 1.02 -1.26 -4.81 119.74 120.08 3mff s LYS 107 Ca 0.00 1.09 -0.31 0.00 0.02 0.00 0.00 55.97 56.76 3mff s LYS 107 Cb 0.00 -2.08 -0.16 0.00 -0.52 0.00 0.00 37.83 35.07 3mff s LYS 107 CO 0.00 -0.58 0.89 -0.11 -0.92 0.00 0.00 175.35 174.63 3mff n LEU 108 N -1.86 0.34 -4.15 3.17 7.94 -1.26 -4.95 117.00 116.24 3mff n LEU 108 Ca 0.08 1.15 -0.33 0.00 -1.11 0.00 0.00 56.01 55.80 3mff n LEU 108 Cb 0.53 -1.09 -0.16 0.00 0.53 0.00 0.00 43.42 43.23 3mff n LEU 108 CO 0.47 -2.02 -0.54 0.42 -1.11 0.00 0.00 177.39 174.61 3mff s THR 109 N -0.63 2.07 -0.11 1.96 -4.23 -0.78 -4.96 115.64 108.97 3mff s THR 109 Ca 0.70 -0.95 -0.10 0.00 -1.18 0.00 0.00 61.69 60.16 3mff s THR 109 Cb -0.91 -1.85 -0.05 0.00 1.34 0.00 0.00 72.50 71.03 3mff s THR 109 CO 0.56 0.54 0.21 -0.36 -0.54 0.00 0.00 174.62 175.03 3mff s PHE 110 N 1.07 3.59 1.02 3.99 0.08 -1.26 -1.12 117.98 125.35 3mff s PHE 110 Ca -0.01 0.61 -0.13 0.00 0.12 0.00 0.00 56.93 57.52 3mff s PHE 110 Cb -0.14 -2.08 0.20 0.00 -0.57 0.00 0.00 43.02 40.43 3mff s PHE 110 CO -0.08 0.62 1.11 0.20 -0.10 0.00 0.00 175.22 176.97 3mff s GLY 111 N -0.74 1.57 0.00 4.36 0.00 0.61 -4.72 107.32 108.40 3mff s GLY 111 Ca 0.16 -0.50 0.27 0.00 0.00 0.00 0.00 44.72 44.65 3mff s GLY 111 CO 0.05 0.15 1.87 1.42 0.00 0.00 0.00 173.10 176.59 3mff n HIS 112 N -4.20 0.00 0.00 1.90 -0.00 -1.26 -4.73 115.22 106.92 3mff n HIS 112 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.78 3mff n HIS 112 Cb 0.58 -0.47 0.00 0.00 -0.00 0.00 0.00 29.99 30.10 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 1.24 0.59 2.96 -1.41 0.00 -1.26 -4.98 105.19 102.32 3mff n GLY 113 Ca 0.07 -1.78 -0.28 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.76 1.22 -0.22 2.61 2.01 -0.31 -4.73 115.64 113.47 3mff s THR 114 Ca 0.00 -0.42 -0.29 0.00 0.31 0.00 0.00 61.69 61.29 3mff s THR 114 Cb 0.00 -1.19 0.00 0.00 0.01 0.00 0.00 72.50 71.32 3mff s THR 114 CO 0.00 0.40 1.13 -0.63 -0.69 0.00 0.00 174.62 174.83 3mff s ILE 115 N 1.53 4.51 -0.16 1.82 1.01 -0.37 -1.16 121.20 128.37 3mff s ILE 115 Ca 0.03 1.81 -0.04 0.00 0.00 0.00 0.00 60.65 62.45 3mff s ILE 115 Cb -0.13 -4.20 -0.03 0.00 0.01 0.00 0.00 42.46 38.11 3mff s ILE 115 CO -0.08 -0.20 -0.03 -0.22 0.00 0.00 0.00 174.94 174.42 3mff s LEU 116 N 3.38 3.32 -0.15 2.97 2.96 0.79 -1.28 118.68 130.67 3mff s LEU 116 Ca 0.48 -0.10 0.02 0.00 -0.22 0.00 0.00 54.13 54.31 3mff s LEU 116 Cb -0.17 -1.80 0.01 0.00 0.50 0.00 0.00 46.19 44.72 3mff s LEU 116 CO 0.10 0.17 -0.20 -0.13 -1.32 0.00 0.00 176.35 174.98 3mff s ARG 117 N 0.34 3.08 -0.24 1.98 0.52 0.08 -1.43 118.95 123.27 3mff s ARG 117 Ca -0.03 -0.82 -0.03 0.00 -0.52 0.00 0.00 55.73 54.33 3mff s ARG 117 Cb -0.14 -2.50 0.01 0.00 0.52 0.00 0.00 34.95 32.84 3mff s ARG 117 CO 0.03 -0.02 -0.04 0.08 0.02 0.00 0.00 175.30 175.36 3mff s VAL 118 N 0.85 3.10 0.11 3.52 1.01 -1.26 -0.84 120.40 126.90 3mff s VAL 118 Ca -0.06 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 60.78 3mff s VAL 118 Cb -0.15 -2.52 -0.06 0.00 0.00 0.00 0.00 36.38 33.64 3mff s VAL 118 CO -0.02 0.26 1.05 -1.00 0.00 0.00 0.00 175.10 175.39 3mff s HIS 119 N 1.39 3.66 0.57 5.22 3.76 0.39 -4.46 115.29 125.82 3mff s HIS 119 Ca 0.02 1.65 -0.18 0.00 -0.15 0.00 0.00 55.06 56.40 3mff s HIS 119 Cb -0.16 -3.19 -0.04 0.00 1.11 0.00 0.00 32.58 30.30 3mff s HIS 119 CO -0.04 -0.32 1.09 -1.25 -0.85 0.00 0.00 174.74 173.38 3mff s PRO 120 N 0.14 3.29 0.43 8.40 0.04 -1.26 -0.51 135.00 145.53 3mff s PRO 120 Ca 0.50 1.42 -0.26 0.00 0.04 0.00 0.00 61.00 62.70 3mff s PRO 120 Cb -0.26 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.17 3mff s PRO 120 CO 0.31 -0.87 1.37 -1.71 0.04 0.00 0.00 177.00 176.15 3mff n ASN 121 N -1.69 3.06 -4.41 6.66 2.85 -1.26 -4.78 115.26 115.69 3mff n ASN 121 Ca 0.10 1.13 -0.36 0.00 -0.11 0.00 0.00 54.58 55.33 3mff n ASN 121 Cb 0.52 -1.56 -0.13 0.00 1.24 0.00 0.00 39.78 39.85 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 -1.19 4.11 -0.09 -1.44 1.01 -1.26 -5.00 121.20 117.33 3mff s ILE 122 Ca 0.60 -0.32 -0.27 0.00 0.00 0.00 0.00 60.65 60.66 3mff s ILE 122 Cb -0.48 -2.95 -0.24 0.00 0.01 0.00 0.00 42.46 38.80 3mff s ILE 122 CO 0.58 0.30 0.94 -0.61 0.00 0.00 0.00 174.94 176.16 3mff h GLN 123 N 8.22 0.03 -2.97 2.79 4.15 -2.04 -3.39 115.11 121.88 3mff h GLN 123 Ca -0.38 -0.03 -0.61 0.00 0.77 0.00 0.00 58.65 58.40 3mff h GLN 123 Cb 1.16 0.01 -0.40 0.00 0.21 0.00 0.00 27.48 28.46 3mff h GLN 123 CO 0.59 0.85 -0.74 -0.80 -1.93 0.00 0.00 178.83 176.80 3mff s ASN 124 N -6.09 3.62 0.25 -0.69 0.01 -1.26 -5.12 114.94 105.67 3mff s ASN 124 Ca -0.18 -2.75 -0.30 0.00 -0.71 0.00 0.00 52.86 48.92 3mff s ASN 124 Cb -0.01 -1.06 -0.14 0.00 0.41 0.00 0.00 41.25 40.45 3mff s ASN 124 CO 0.69 -0.25 1.30 -2.65 -1.51 0.00 0.00 177.10 174.69 3mff n PRO 125 N 3.38 1.84 -3.11 -0.60 -0.02 -1.26 -4.94 135.00 130.29 3mff n PRO 125 Ca 0.10 0.65 -0.19 0.00 -2.02 0.00 0.00 63.50 62.05 3mff n PRO 125 Cb 0.35 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 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 1.78 -0.13 -4.70 2.55 2.03 -1.26 -5.10 116.55 111.71 3mff n ASP 126 Ca 0.11 -2.93 -0.42 0.00 0.52 0.00 0.00 54.79 52.06 3mff n ASP 126 Cb 0.31 -0.18 -0.03 0.00 -0.72 0.00 0.00 41.12 40.50 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 -1.28 4.21 -0.17 -0.67 0.04 -1.26 -4.49 135.00 131.39 3mff s PRO 127 Ca 0.35 2.33 -0.25 0.00 0.04 0.00 0.00 61.00 63.48 3mff s PRO 127 Cb 0.24 -3.40 0.06 0.00 0.04 0.00 0.00 34.50 31.45 3mff s PRO 127 CO -0.11 -0.67 0.63 0.00 0.04 0.00 0.00 177.00 176.89 3mff s ALA 128 N 1.96 -1.60 -0.15 8.56 0.00 -1.06 -1.09 121.76 128.38 3mff s ALA 128 Ca 0.72 1.56 0.01 0.00 0.00 0.00 0.00 51.96 54.25 3mff s ALA 128 Cb -0.41 -0.65 0.02 0.00 0.00 0.00 0.00 23.12 22.08 3mff s ALA 128 CO 0.32 -0.32 -0.17 0.08 0.00 0.00 0.00 175.76 175.67 3mff s VAL 129 N -0.26 1.75 0.05 0.00 1.01 0.02 -1.10 120.40 121.87 3mff s VAL 129 Ca -0.04 -0.76 0.08 0.00 0.00 0.00 0.00 61.98 61.25 3mff s VAL 129 Cb -0.03 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 3mff s VAL 129 CO 0.04 0.49 -0.19 -0.31 0.00 0.00 0.00 175.10 175.13 3mff s TYR 130 N 1.26 2.54 -0.20 5.22 2.02 -0.06 -4.30 117.35 123.83 3mff s TYR 130 Ca 0.01 -0.27 -0.07 0.00 -0.37 0.00 0.00 57.07 56.38 3mff s TYR 130 Cb -0.14 -1.44 -0.04 0.00 -0.40 0.00 0.00 41.96 39.95 3mff s TYR 130 CO -0.09 0.27 0.06 -1.14 -1.57 0.00 0.00 175.55 173.08 3mff s GLN 131 N -1.55 3.89 -0.03 -0.62 0.74 -1.26 -0.93 119.66 119.88 3mff s GLN 131 Ca 0.15 -0.38 0.02 0.00 0.05 0.00 0.00 55.36 55.20 3mff s GLN 131 Cb -0.10 -3.22 -0.03 0.00 1.10 0.00 0.00 33.01 30.75 3mff s GLN 131 CO 0.06 0.17 -0.08 -0.51 -0.55 0.00 0.00 175.29 174.37 3mff s LEU 132 N 0.65 3.08 0.12 3.68 1.02 0.83 -4.96 118.68 123.10 3mff s LEU 132 Ca 0.03 -0.11 0.03 0.00 0.02 0.00 0.00 54.13 54.09 3mff s LEU 132 Cb -0.13 -1.71 -0.04 0.00 0.02 0.00 0.00 46.19 44.33 3mff s LEU 132 CO 0.02 0.32 0.19 -0.13 0.02 0.00 0.00 176.35 176.77 3mff s ARG 133 N -1.06 3.20 0.24 1.70 0.52 -1.26 -1.25 118.95 121.04 3mff s ARG 133 Ca 0.14 -0.64 -0.30 0.00 -0.52 0.00 0.00 55.73 54.41 3mff s ARG 133 Cb -0.11 -2.86 -0.10 0.00 0.52 0.00 0.00 34.95 32.40 3mff s ARG 133 CO 0.04 0.54 1.40 0.34 0.02 0.00 0.00 175.30 177.64 3mff s ASP 134 N -2.85 6.73 0.49 0.23 -1.08 -1.24 -4.90 116.67 114.06 3mff s ASP 134 Ca 0.33 2.59 0.17 0.00 -0.52 0.00 0.00 52.55 55.11 3mff s ASP 134 Cb -0.12 -2.62 1.19 0.00 -1.46 0.00 0.00 42.92 39.92 3mff s ASP 134 CO 0.26 -0.64 2.09 0.77 0.52 0.00 0.00 175.17 178.16 3mff h SER 135 N 5.07 0.00 -3.32 -0.34 4.64 -1.98 -3.39 113.55 114.23 3mff h SER 135 Ca -0.46 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.29 3mff h SER 135 Cb 1.22 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.24 3mff h SER 135 CO 0.77 0.08 -0.07 -0.75 -0.87 0.00 0.00 176.83 175.99 3mff s LYS 136 N -4.83 4.34 -0.15 4.77 2.20 -1.26 -4.99 119.74 119.83 3mff s LYS 136 Ca -0.04 0.59 -0.31 0.00 -0.36 0.00 0.00 55.97 55.84 3mff s LYS 136 Cb 0.16 -3.41 -0.09 0.00 -1.51 0.00 0.00 37.83 32.98 3mff s LYS 136 CO 0.67 0.19 2.07 0.45 -0.36 0.00 0.00 175.35 178.37 3mff n SER 137 N 3.47 3.33 -1.61 1.43 2.88 -1.26 -4.90 113.62 116.96 3mff n SER 137 Ca -0.06 0.61 -0.03 0.00 -1.33 0.00 0.00 58.87 58.06 3mff n SER 137 Cb 0.51 -1.45 0.01 0.00 -0.75 0.00 0.00 64.21 62.54 3mff n SER 137 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3mff n SER 138 N 9.04 -0.77 -0.75 -3.46 3.41 -1.26 -5.05 113.62 114.79 3mff n SER 138 Ca 0.27 -1.54 0.13 0.00 -0.26 0.00 0.00 58.87 57.47 3mff n SER 138 Cb 0.36 1.28 0.26 0.00 -0.26 0.00 0.00 64.21 65.85 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 -1.21 2.37 -4.78 4.04 8.00 -1.26 -4.87 116.55 118.83 3mff n ASP 139 Ca -0.03 -1.78 -0.37 0.00 0.71 0.00 0.00 54.79 53.32 3mff n ASP 139 Cb 0.20 0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.25 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 -2.02 4.59 0.14 -1.24 1.02 -1.26 -3.81 119.74 117.15 3mff s LYS 140 Ca 0.32 1.33 -0.10 0.00 0.02 0.00 0.00 55.97 57.53 3mff s LYS 140 Cb 0.20 -2.81 0.00 0.00 -0.52 0.00 0.00 37.83 34.70 3mff s LYS 140 CO 0.32 0.29 0.28 -1.54 -0.92 0.00 0.00 175.35 173.78 3mff s SER 141 N -1.61 0.02 -0.02 2.83 1.04 -0.99 -3.60 113.70 111.36 3mff s SER 141 Ca 0.50 -0.71 0.04 0.00 0.48 0.00 0.00 55.95 56.26 3mff s SER 141 Cb -0.19 0.42 -0.01 0.00 0.10 0.00 0.00 66.02 66.34 3mff s SER 141 CO 0.24 -0.84 -0.14 -0.69 0.98 0.00 0.00 173.24 172.79 3mff s VAL 142 N -3.91 1.12 -0.28 5.02 1.01 -0.38 -2.58 120.40 120.40 3mff s VAL 142 Ca 0.11 -0.58 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 3mff s VAL 142 Cb 0.03 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 3mff s VAL 142 CO -0.05 0.33 0.18 0.00 0.00 0.00 0.00 175.10 175.55 3mff s LEU 144 N 1.73 3.63 -0.36 0.00 2.96 -0.11 -1.55 118.68 124.99 3mff s LEU 144 Ca 0.07 -0.08 -0.02 0.00 -0.22 0.00 0.00 54.13 53.88 3mff s LEU 144 Cb -0.16 -1.96 0.08 0.00 0.50 0.00 0.00 46.19 44.65 3mff s LEU 144 CO 0.10 0.05 0.11 0.12 -1.32 0.00 0.00 176.35 175.40 3mff s PHE 145 N 1.13 3.45 0.22 5.38 5.99 0.87 -0.88 117.98 134.15 3mff s PHE 145 Ca 0.05 -2.16 -0.18 0.00 0.00 0.00 0.00 56.93 54.63 3mff s PHE 145 Cb -0.14 -2.70 -0.08 0.00 0.00 0.00 0.00 43.02 40.09 3mff s PHE 145 CO 0.03 -0.89 0.70 0.95 -0.00 0.00 0.00 175.22 176.02 3mff s THR 146 N 1.19 4.63 -1.64 0.12 -4.23 -0.26 -1.30 115.64 114.15 3mff s THR 146 Ca 0.02 1.17 -0.16 0.00 -1.18 0.00 0.00 61.69 61.55 3mff s THR 146 Cb -0.21 -3.81 0.13 0.00 1.34 0.00 0.00 72.50 69.95 3mff s THR 146 CO -0.03 0.16 0.78 0.47 -0.54 0.00 0.00 174.62 175.47 3mff n ASP 147 N 0.59 -3.25 0.17 3.99 8.00 -0.15 -2.58 116.55 123.32 3mff n ASP 147 Ca -0.02 -0.97 0.13 0.00 0.71 0.00 0.00 54.79 54.64 3mff n ASP 147 Cb 0.51 -3.01 0.60 0.00 -0.02 0.00 0.00 41.12 39.20 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 -1.65 0.00 -0.19 1.24 -5.15 -1.63 -2.75 116.94 106.80 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 0.61 0.00 0.00 -0.40 -2.00 0.00 0.00 178.31 176.52 3mff n ASP 149 N -2.37 3.08 0.08 -0.68 5.68 -1.26 -4.50 116.55 116.58 3mff n ASP 149 Ca 0.00 -2.67 0.12 0.00 -0.50 0.00 0.00 54.79 51.74 3mff n ASP 149 Cb 0.14 -0.38 0.45 0.00 -1.14 0.00 0.00 41.12 40.20 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 -0.48 0.49 0.00 -1.12 3.41 -1.04 -4.98 113.62 109.91 3mff n SER 150 Ca 0.15 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.35 3mff n SER 150 Cb 0.65 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 3mff n SER 150 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3mff n GLN 151 N -2.01 0.00 0.00 4.33 7.27 -1.26 -5.07 117.38 120.64 3mff n GLN 151 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.11 3mff n GLN 151 Cb 0.29 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.94 3mff n GLN 151 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 3mff n THR 152 N 0.00 0.00 -0.81 1.69 -2.24 -1.26 -3.89 114.28 107.77 3mff n THR 152 Ca 0.00 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 3mff n THR 152 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 3mff n THR 152 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3mff n SER 157 N -0.00 -4.39 -4.69 3.42 3.41 -1.26 -3.87 113.62 106.24 3mff n SER 157 Ca 0.00 0.92 -0.29 0.00 -0.26 0.00 0.00 58.87 59.24 3mff n SER 157 Cb 0.00 -2.40 0.17 0.00 -0.26 0.00 0.00 64.21 61.72 3mff n SER 157 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 3mff s LYS 158 N -4.36 0.54 0.22 4.33 -2.85 -1.26 -4.96 119.74 111.40 3mff s LYS 158 Ca 0.00 0.51 -0.08 0.00 -1.00 0.00 0.00 55.97 55.40 3mff s LYS 158 Cb 0.00 -1.75 0.18 0.00 -2.06 0.00 0.00 37.83 34.20 3mff s LYS 158 CO 0.00 -2.66 1.83 -0.44 0.10 0.00 0.00 175.35 174.18 3mff h ASP 159 N -1.84 1.09 0.42 0.03 3.32 -2.01 -3.03 116.42 114.40 3mff h ASP 159 Ca -0.54 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.39 3mff h ASP 159 Cb 1.33 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.60 3mff h ASP 159 CO 0.58 0.90 0.00 -1.54 -1.72 0.00 0.00 179.24 177.46 3mff n SER 160 N -4.34 0.00 0.09 6.45 3.41 -1.26 -2.60 113.62 115.37 3mff n SER 160 Ca 0.08 0.15 0.11 0.00 -0.26 0.00 0.00 58.87 58.96 3mff n SER 160 Cb 0.12 -0.34 0.45 0.00 -0.26 0.00 0.00 64.21 64.18 3mff n SER 160 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3mff n ASP 161 N -1.34 0.54 0.27 4.04 8.00 -1.14 -2.47 116.55 124.44 3mff n ASP 161 Ca 0.07 0.61 0.18 0.00 0.71 0.00 0.00 54.79 56.37 3mff n ASP 161 Cb 0.16 -0.73 0.94 0.00 -0.02 0.00 0.00 41.12 41.47 3mff n ASP 161 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 3mff h VAL 162 N 0.00 0.26 -3.06 2.53 -1.51 -1.72 -3.42 116.25 109.33 3mff h VAL 162 Ca 0.00 0.00 -0.60 0.00 -1.23 0.00 0.00 66.70 64.87 3mff h VAL 162 Cb 0.42 0.86 -0.05 0.00 -2.13 0.00 0.00 31.29 30.38 3mff h VAL 162 CO 0.00 0.00 -0.19 -0.31 -1.23 0.00 0.00 177.57 175.84 3mff s TYR 163 N -4.40 3.72 -0.04 5.19 1.51 -1.03 -0.71 117.35 121.59 3mff s TYR 163 Ca -0.04 1.01 -0.30 0.00 -1.01 0.00 0.00 57.07 56.72 3mff s TYR 163 Cb 0.13 -2.32 -0.04 0.00 -0.11 0.00 0.00 41.96 39.62 3mff s TYR 163 CO 0.46 0.60 1.22 0.42 -1.11 0.00 0.00 175.55 177.15 3mff s ILE 164 N -0.95 4.18 -0.86 2.71 -1.09 -0.11 -4.59 121.20 120.49 3mff s ILE 164 Ca 0.24 1.51 0.09 0.00 -2.23 0.00 0.00 60.65 60.26 3mff s ILE 164 Cb -0.17 -3.97 0.18 0.00 -1.58 0.00 0.00 42.46 36.92 3mff s ILE 164 CO 0.14 0.01 1.05 0.41 -1.23 0.00 0.00 174.94 175.31 3mff n THR 165 N 4.58 0.66 -1.22 2.92 -1.04 -1.26 -4.89 114.28 114.02 3mff n THR 165 Ca 0.11 -0.83 -0.40 0.00 -2.04 0.00 0.00 64.05 60.89 3mff n THR 165 Cb 0.46 0.74 -0.01 0.00 -1.82 0.00 0.00 70.33 69.69 3mff n THR 165 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3mff n ASP 166 N 0.37 -2.21 0.00 8.00 8.00 -1.26 -4.95 116.55 124.50 3mff n ASP 166 Ca 0.08 0.83 0.00 0.00 0.71 0.00 0.00 54.79 56.41 3mff n ASP 166 Cb 0.33 -0.83 0.00 0.00 -0.02 0.00 0.00 41.12 40.60 3mff n ASP 166 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mff n ALA 167 N -0.66 0.00 0.30 2.24 0.00 -1.26 -3.49 120.51 117.64 3mff n ALA 167 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.69 3mff n ALA 167 Cb 0.33 0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.37 3mff n ALA 167 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3mff h THR 168 N 0.00 0.00 0.00 0.00 2.02 -2.00 -3.31 112.91 109.62 3mff h THR 168 Ca 0.00 -0.17 -0.05 0.00 0.77 0.00 0.00 66.41 66.96 3mff h THR 168 Cb 0.00 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3mff h THR 168 CO 0.00 0.00 -0.26 0.58 0.37 0.00 0.00 175.52 176.21 3mff h VAL 169 N 0.00 1.16 -6.41 3.16 2.07 -1.91 -3.47 116.25 110.86 3mff h VAL 169 Ca 0.00 -0.90 -0.45 0.00 0.82 0.00 0.00 66.70 66.17 3mff h VAL 169 Cb 0.24 1.49 0.04 0.00 -1.52 0.00 0.00 31.29 31.54 3mff h VAL 169 CO 0.00 0.26 -0.91 0.18 0.02 0.00 0.00 177.57 177.12 3mff n LEU 170 N -4.19 -2.39 -4.17 2.57 4.77 -1.25 -5.00 117.00 107.33 3mff n LEU 170 Ca -0.02 -1.00 -0.14 0.00 -0.03 0.00 0.00 56.01 54.81 3mff n LEU 170 Cb 0.31 -2.16 -0.07 0.00 -2.33 0.00 0.00 43.42 39.17 3mff n LEU 170 CO 0.37 0.41 -0.06 1.51 -1.33 0.00 0.00 177.39 178.29 3mff s ASP 171 N -3.36 0.75 0.14 -1.43 1.47 -1.26 -4.62 116.67 108.36 3mff s ASP 171 Ca 0.36 -1.46 0.10 0.00 1.18 0.00 0.00 52.55 52.73 3mff s ASP 171 Cb -0.15 0.53 -0.04 0.00 -0.34 0.00 0.00 42.92 42.91 3mff s ASP 171 CO 0.88 -1.05 -0.24 -0.32 0.68 0.00 0.00 175.17 175.12 3mff s MET 172 N -3.67 1.35 -0.02 2.11 1.75 0.32 -4.94 119.30 116.20 3mff s MET 172 Ca 0.35 -1.35 0.01 0.00 -1.25 0.00 0.00 55.69 53.46 3mff s MET 172 Cb 0.03 -1.71 0.01 0.00 2.84 0.00 0.00 34.83 36.01 3mff s MET 172 CO 0.18 0.39 -0.03 1.03 -0.65 0.00 0.00 175.02 175.94 3mff s ARG 173 N -2.23 0.49 -0.18 4.11 0.52 -1.26 -0.92 118.95 119.48 3mff s ARG 173 Ca 0.14 -0.08 -0.09 0.00 -0.52 0.00 0.00 55.73 55.18 3mff s ARG 173 Cb -0.09 -0.54 0.07 0.00 0.52 0.00 0.00 34.95 34.91 3mff s ARG 173 CO 0.06 -0.02 0.42 0.45 0.02 0.00 0.00 175.30 176.24 3mff s SER 174 N 0.51 -0.45 0.05 0.23 0.15 -0.75 -5.02 113.70 108.42 3mff s SER 174 Ca -0.06 0.93 0.02 0.00 0.70 0.00 0.00 55.95 57.54 3mff s SER 174 Cb -0.09 0.94 -0.04 0.00 -1.71 0.00 0.00 66.02 65.12 3mff s SER 174 CO -0.01 -0.21 0.09 -0.04 1.20 0.00 0.00 173.24 174.28 3mff s MET 175 N 1.73 3.00 -0.41 5.44 -1.94 -1.26 -1.17 119.30 124.69 3mff s MET 175 Ca -0.07 -0.61 0.03 0.00 -1.71 0.00 0.00 55.69 53.33 3mff s MET 175 Cb -0.09 -2.80 0.12 0.00 2.01 0.00 0.00 34.83 34.06 3mff s MET 175 CO -0.13 0.59 0.16 0.34 -0.01 0.00 0.00 175.02 175.97 3mff s ASP 176 N -2.23 4.24 0.52 3.03 -1.08 0.75 -4.97 116.67 116.93 3mff s ASP 176 Ca 0.28 -2.41 0.26 0.00 -0.52 0.00 0.00 52.55 50.16 3mff s ASP 176 Cb -0.12 -1.35 1.45 0.00 -1.46 0.00 0.00 42.92 41.44 3mff s ASP 176 CO 0.21 -0.32 2.09 2.19 0.52 0.00 0.00 175.17 179.86 3mff h PHE 177 N 7.18 0.00 0.00 -5.34 -5.15 -1.97 -2.06 116.94 109.60 3mff h PHE 177 Ca -0.06 0.00 -0.09 0.00 -0.20 0.00 0.00 57.97 57.62 3mff h PHE 177 Cb 0.96 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.12 3mff h PHE 177 CO 0.46 0.11 -0.41 0.87 -2.00 0.00 0.00 178.31 177.34 3mff h LYS 178 N 0.00 0.00 -0.02 6.09 1.57 -1.93 -3.11 116.57 119.17 3mff h LYS 178 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3mff h LYS 178 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3mff h LYS 178 CO 0.01 0.41 0.00 -1.13 -0.57 0.00 0.00 179.45 178.17 3mff n SER 179 N -3.94 2.00 -3.83 0.86 3.41 -1.06 -4.62 113.62 106.45 3mff n SER 179 Ca -0.02 -1.95 -0.29 0.00 -0.26 0.00 0.00 58.87 56.35 3mff n SER 179 Cb 0.45 -0.01 0.03 0.00 -0.26 0.00 0.00 64.21 64.42 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 -0.42 -5.10 -4.29 4.04 5.03 -0.81 -4.65 115.26 109.06 3mff n ASN 180 Ca 0.01 -0.72 -0.16 0.00 0.87 0.00 0.00 54.58 54.58 3mff n ASN 180 Cb 0.25 -4.06 -0.10 0.00 -1.02 0.00 0.00 39.78 34.85 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 -3.26 2.10 0.03 6.41 1.04 -1.00 -0.98 113.70 118.05 3mff s SER 181 Ca 0.64 -1.03 -0.02 0.00 0.48 0.00 0.00 55.95 56.02 3mff s SER 181 Cb -0.32 -0.06 -0.02 0.00 0.10 0.00 0.00 66.02 65.72 3mff s SER 181 CO 0.79 -0.28 0.02 0.00 0.98 0.00 0.00 173.24 174.75 3mff s ALA 182 N -3.19 0.17 0.14 5.32 0.00 -0.42 -0.18 121.76 123.59 3mff s ALA 182 Ca 0.20 -0.75 0.06 0.00 0.00 0.00 0.00 51.96 51.46 3mff s ALA 182 Cb 0.01 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 3mff s ALA 182 CO 0.03 -0.28 -0.13 0.14 0.00 0.00 0.00 175.76 175.53 3mff s VAL 183 N -2.58 1.33 0.02 0.00 -7.23 -0.32 -0.09 120.40 111.53 3mff s VAL 183 Ca -0.05 -1.87 0.01 0.00 -1.81 0.00 0.00 61.98 58.26 3mff s VAL 183 Cb -0.02 -1.67 -0.02 0.00 0.56 0.00 0.00 36.38 35.24 3mff s VAL 183 CO -0.05 -0.53 -0.04 0.00 -0.31 0.00 0.00 175.10 174.17 3mff s ALA 184 N -2.56 0.28 0.06 1.32 0.00 -0.59 -1.82 121.76 118.45 3mff s ALA 184 Ca 0.13 -0.52 -0.03 0.00 0.00 0.00 0.00 51.96 51.53 3mff s ALA 184 Cb -0.02 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 3mff s ALA 184 CO 0.03 -0.06 0.03 1.67 0.00 0.00 0.00 175.76 177.42 3mff s TRP 185 N -1.08 0.42 0.06 0.00 -2.14 -0.09 0.43 118.94 116.53 3mff s TRP 185 Ca -0.10 -0.93 -0.10 0.00 2.66 0.00 0.00 56.10 57.62 3mff s TRP 185 Cb -0.08 -0.30 0.01 0.00 -3.10 0.00 0.00 33.47 30.00 3mff s TRP 185 CO -0.00 -0.42 0.23 0.45 -2.66 0.00 0.00 176.95 174.54 3mff s SER 186 N -2.89 0.02 -0.17 -2.66 0.15 -1.07 -0.52 113.70 106.57 3mff s SER 186 Ca 0.06 -0.43 0.16 0.00 0.70 0.00 0.00 55.95 56.44 3mff s SER 186 Cb 0.07 0.33 0.55 0.00 -1.71 0.00 0.00 66.02 65.26 3mff s SER 186 CO -0.10 -0.65 1.45 -0.46 1.20 0.00 0.00 173.24 174.68 3mff n ASN 187 N 0.35 4.04 -4.65 5.45 0.23 -1.26 -2.35 115.26 117.06 3mff n ASN 187 Ca -0.17 -2.89 -0.38 0.00 -0.53 0.00 0.00 54.58 50.61 3mff n ASN 187 Cb 0.61 -0.53 -0.09 0.00 -2.08 0.00 0.00 39.78 37.69 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 -2.62 4.10 0.58 -3.83 3.01 -1.26 -4.53 119.74 115.21 3mff s LYS 188 Ca 0.42 0.00 0.35 0.00 -1.01 0.00 0.00 55.97 55.74 3mff s LYS 188 Cb 0.33 -3.56 1.79 0.00 -1.01 0.00 0.00 37.83 35.37 3mff s LYS 188 CO 0.11 -0.05 2.16 0.66 0.51 0.00 0.00 175.35 178.74 3mff h SER 189 N 7.59 0.00 -0.34 2.83 4.64 -1.94 -1.64 113.55 124.69 3mff h SER 189 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 3mff h SER 189 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3mff h SER 189 CO 0.68 0.04 0.00 -0.90 -0.87 0.00 0.00 176.83 175.78 3mff n ASP 190 N -3.30 2.57 -4.72 4.97 5.68 -1.26 -4.93 116.55 115.56 3mff n ASP 190 Ca -0.02 -2.19 -0.42 0.00 -0.50 0.00 0.00 54.79 51.67 3mff n ASP 190 Cb 0.19 -0.39 -0.03 0.00 -1.14 0.00 0.00 41.12 39.76 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 -1.65 3.22 -0.05 2.11 5.36 -0.62 -5.00 117.98 121.35 3mff s PHE 191 Ca 0.26 0.94 0.01 0.00 -0.96 0.00 0.00 56.93 57.18 3mff s PHE 191 Cb 0.16 -3.71 0.02 0.00 -0.34 0.00 0.00 43.02 39.16 3mff s PHE 191 CO 0.14 -2.47 -0.06 0.00 -1.46 0.00 0.00 175.22 171.37 3mff s ALA 192 N 1.02 0.76 0.50 11.12 0.00 -1.26 -5.05 121.76 128.85 3mff s ALA 192 Ca 0.65 -0.11 0.16 0.00 0.00 0.00 0.00 51.96 52.66 3mff s ALA 192 Cb -0.38 -0.43 1.21 0.00 0.00 0.00 0.00 23.12 23.53 3mff s ALA 192 CO 0.31 0.02 2.11 0.00 0.00 0.00 0.00 175.76 178.20 3mff h ALA 194 N 1.94 1.37 -0.00 0.00 0.00 -1.97 -2.18 119.26 118.43 3mff h ALA 194 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3mff h ALA 194 Cb 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3mff h ALA 194 CO 0.01 0.02 -0.35 0.09 0.00 0.00 0.00 179.25 179.02 3mff n ASN 195 N -3.64 0.71 0.08 0.00 3.02 -0.73 -3.70 115.26 111.01 3mff n ASN 195 Ca -0.03 -0.53 0.12 0.00 -0.03 0.00 0.00 54.58 54.11 3mff n ASN 195 Cb 0.10 0.15 0.11 0.00 -0.61 0.00 0.00 39.78 39.54 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 3.35 0.58 -4.01 5.41 0.00 -1.48 -3.44 119.26 119.66 3mff h ALA 196 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 3mff h ALA 196 Cb 0.49 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.03 3mff h ALA 196 CO 0.00 0.00 -0.84 -0.06 0.00 0.00 0.00 179.25 178.35 3mff s PHE 197 N -3.23 1.86 -0.73 0.00 0.08 -1.24 -0.93 117.98 113.78 3mff s PHE 197 Ca 0.04 -0.38 -0.26 0.00 0.12 0.00 0.00 56.93 56.44 3mff s PHE 197 Cb 0.12 -1.09 0.04 0.00 -0.57 0.00 0.00 43.02 41.51 3mff s PHE 197 CO 0.74 0.12 1.24 1.21 -0.10 0.00 0.00 175.22 178.43 3mff s ASN 198 N -1.32 6.17 0.46 1.36 3.84 0.12 -4.65 114.94 120.91 3mff s ASN 198 Ca 0.08 -0.54 0.31 0.00 0.21 0.00 0.00 52.86 52.93 3mff s ASN 198 Cb -0.09 -2.54 1.47 0.00 -0.55 0.00 0.00 41.25 39.54 3mff s ASN 198 CO 0.02 -1.78 1.94 0.78 -2.79 0.00 0.00 177.10 175.27 3mff h ASN 199 N 9.97 0.00 0.52 -4.21 2.35 -1.88 -2.20 115.58 120.14 3mff h ASN 199 Ca -0.27 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.41 3mff h ASN 199 Cb 1.05 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.41 3mff h ASN 199 CO 1.27 0.00 -0.33 0.28 -1.65 0.00 0.00 177.43 177.00 3mff h SER 200 N 0.00 0.00 0.00 5.81 0.02 -1.98 -3.36 113.55 114.03 3mff h SER 200 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3mff h SER 200 Cb 0.27 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.81 3mff h SER 200 CO 0.00 0.33 -1.09 2.30 -1.14 0.00 0.00 176.83 177.23 3mff n ILE 201 N -3.82 0.01 -0.82 3.27 -5.35 -0.85 -5.05 119.36 106.75 3mff n ILE 201 Ca -0.01 -0.04 -0.30 0.00 -0.27 0.00 0.00 62.75 62.13 3mff n ILE 201 Cb 0.41 0.34 0.19 0.00 -1.74 0.00 0.00 39.64 38.84 3mff n ILE 201 CO 0.00 0.00 0.00 0.27 -1.76 0.00 0.00 176.55 175.06 3mff s ILE 202 N -2.12 2.27 0.33 7.28 -0.00 -1.05 -4.89 121.20 123.02 3mff s ILE 202 Ca -0.01 0.09 -0.27 0.00 -0.00 0.00 0.00 60.65 60.46 3mff s ILE 202 Cb 0.01 -2.29 -0.13 0.00 -0.00 0.00 0.00 42.46 40.06 3mff s ILE 202 CO 0.08 -0.11 0.98 -2.65 -0.00 0.00 0.00 174.94 173.23 3mff n PRO 203 N -4.35 1.30 0.20 0.37 -0.02 -1.25 -4.79 135.00 126.45 3mff n PRO 203 Ca 0.07 0.46 0.04 0.00 -2.02 0.00 0.00 63.50 62.05 3mff n PRO 203 Cb 0.54 -1.87 0.41 0.00 -0.02 0.00 0.00 33.50 32.56 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 1.78 0.00 -0.87 -0.52 4.57 -1.83 -2.32 114.58 115.39 3mff h GLU 204 Ca -0.41 0.00 -0.56 0.00 -1.18 0.00 0.00 59.36 57.21 3mff h GLU 204 Cb 1.34 0.00 -0.29 0.00 -0.16 0.00 0.00 28.75 29.64 3mff h GLU 204 CO 0.59 0.33 0.42 -0.25 -1.18 0.00 0.00 179.01 178.91 3mff n ASP 205 N -4.00 5.69 -4.70 1.04 8.00 -1.26 -4.98 116.55 116.34 3mff n ASP 205 Ca -0.02 -3.75 -0.43 0.00 0.71 0.00 0.00 54.79 51.30 3mff n ASP 205 Cb 0.38 -0.80 -0.03 0.00 -0.02 0.00 0.00 41.12 40.65 3mff n ASP 205 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3mff n THR 206 N -0.96 0.19 -3.24 -3.53 -1.04 -0.88 -4.75 114.28 100.07 3mff n THR 206 Ca 0.55 -0.03 -0.39 0.00 -2.04 0.00 0.00 64.05 62.14 3mff n THR 206 Cb 0.98 -1.95 -0.06 0.00 -1.82 0.00 0.00 70.33 67.47 3mff n THR 206 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 3mff s PHE 207 N 1.95 3.42 -0.67 -1.42 5.36 -0.25 -4.94 117.98 121.43 3mff s PHE 207 Ca 0.80 0.85 0.05 0.00 -0.96 0.00 0.00 56.93 57.67 3mff s PHE 207 Cb -0.54 -2.66 0.20 0.00 -0.34 0.00 0.00 43.02 39.67 3mff s PHE 207 CO 0.37 -0.03 0.57 1.19 -1.46 0.00 0.00 175.22 175.86 3mff n PHE 208 N 4.47 3.15 -2.02 10.12 3.72 -1.26 -0.80 117.46 134.84 3mff n PHE 208 Ca -0.05 -4.22 -0.40 0.00 -0.05 0.00 0.00 57.45 52.74 3mff n PHE 208 Cb 0.51 -0.57 -0.00 0.00 -0.94 0.00 0.00 39.48 38.48 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 -1.72 3.98 0.00 -1.08 0.04 -1.26 -5.05 135.00 129.90 3mff s PRO 209 Ca 0.30 2.20 0.00 0.00 0.04 0.00 0.00 61.00 63.54 3mff s PRO 209 Cb 0.02 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.79 3mff s PRO 209 CO -0.12 -0.50 0.38 -1.13 0.04 0.00 0.00 177.00 175.67