#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2if7 s THR 4 N 0.00 2.05 0.38 1.47 -4.23 -1.26 -4.74 115.64 109.31 2if7 s THR 4 Ca 0.00 0.02 -0.27 0.00 -1.18 0.00 0.00 61.69 60.26 2if7 s THR 4 Cb 0.00 -2.11 -0.09 0.00 1.34 0.00 0.00 72.50 71.64 2if7 s THR 4 CO 0.00 -0.02 1.30 -2.84 -0.54 0.00 0.00 174.62 172.52 2if7 s PRO 5 N -4.53 4.10 -0.06 3.99 0.02 -1.26 -4.88 135.00 132.39 2if7 s PRO 5 Ca 0.68 2.17 -0.30 0.00 0.02 0.00 0.00 61.00 63.57 2if7 s PRO 5 Cb -0.24 -2.86 -0.03 0.00 0.02 0.00 0.00 34.50 31.39 2if7 s PRO 5 CO 0.63 -0.38 1.15 -1.17 -0.33 0.00 0.00 177.00 176.90 2if7 s LEU 6 N -2.22 4.28 -0.43 -5.54 2.96 0.07 -4.71 118.68 113.09 2if7 s LEU 6 Ca 0.54 1.77 -0.24 0.00 -0.22 0.00 0.00 54.13 55.98 2if7 s LEU 6 Cb -0.38 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 42.77 2if7 s LEU 6 CO 0.50 -0.54 0.84 -0.32 -1.32 0.00 0.00 176.35 175.51 2if7 s MET 7 N 2.05 3.54 0.05 1.98 -2.45 -1.26 -0.21 119.30 122.99 2if7 s MET 7 Ca 0.54 0.10 0.08 0.00 -1.25 0.00 0.00 55.69 55.16 2if7 s MET 7 Cb -0.24 -3.90 -0.03 0.00 1.25 0.00 0.00 34.83 31.91 2if7 s MET 7 CO 0.22 -1.09 -0.20 0.54 1.05 0.00 0.00 175.02 175.54 2if7 s VAL 8 N 3.41 2.64 -0.23 10.11 0.11 -0.47 -4.95 120.40 131.02 2if7 s VAL 8 Ca 0.33 -1.25 -0.03 0.00 -2.93 0.00 0.00 61.98 58.10 2if7 s VAL 8 Cb -0.12 -2.10 0.01 0.00 -1.53 0.00 0.00 36.38 32.64 2if7 s VAL 8 CO 0.22 0.33 -0.06 0.20 -3.33 0.00 0.00 175.10 172.47 2if7 s ASN 9 N -1.42 4.20 0.10 3.54 0.01 -1.26 -1.37 114.94 118.73 2if7 s ASN 9 Ca 0.14 -0.59 -0.02 0.00 -0.71 0.00 0.00 52.86 51.68 2if7 s ASN 9 Cb -0.10 -1.69 -0.05 0.00 0.41 0.00 0.00 41.25 39.82 2if7 s ASN 9 CO 0.05 -0.06 0.29 -0.83 -1.51 0.00 0.00 177.10 175.04 2if7 s GLY 10 N 1.41 2.20 -0.18 0.66 0.00 0.24 -4.95 107.32 106.70 2if7 s GLY 10 Ca 0.04 -0.71 -0.14 0.00 0.00 0.00 0.00 44.72 43.91 2if7 s GLY 10 CO -0.05 -0.66 0.31 -0.42 0.00 0.00 0.00 173.10 172.28 2if7 s ILE 11 N -1.59 5.28 0.14 0.90 1.01 -1.26 -2.00 121.20 123.68 2if7 s ILE 11 Ca 0.38 0.55 -0.35 0.00 0.00 0.00 0.00 60.65 61.23 2if7 s ILE 11 Cb -0.13 -3.64 -0.16 0.00 0.01 0.00 0.00 42.46 38.55 2if7 s ILE 11 CO 0.26 0.35 1.33 -0.11 0.00 0.00 0.00 174.94 176.78 2if7 n LEU 12 N 3.89 2.01 0.00 2.97 -0.00 -1.15 -0.98 117.00 123.74 2if7 n LEU 12 Ca -0.11 1.12 0.00 0.00 -0.00 0.00 0.00 56.01 57.02 2if7 n LEU 12 Cb 0.52 -1.26 0.00 0.00 -0.00 0.00 0.00 43.42 42.67 2if7 n LEU 12 CO 0.39 -0.94 0.00 0.61 -0.00 0.00 0.00 177.39 177.46 2if7 n GLY 13 N 2.48 2.64 0.00 -3.96 0.00 -0.12 -4.90 105.19 101.32 2if7 n GLY 13 Ca 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2if7 n GLY 13 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2if7 n GLU 14 N 0.00 2.19 -4.63 1.61 1.02 -0.15 -3.71 120.64 116.98 2if7 n GLU 14 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 2if7 n GLU 14 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.33 2if7 n GLU 14 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2if7 s SER 15 N -1.00 4.02 -0.04 1.62 0.01 -1.26 -0.22 113.70 116.83 2if7 s SER 15 Ca 0.00 -1.45 -0.30 0.00 1.31 0.00 0.00 55.95 55.50 2if7 s SER 15 Cb 0.00 -0.05 0.07 0.00 0.21 0.00 0.00 66.02 66.25 2if7 s SER 15 CO 0.00 -0.62 0.69 0.54 0.41 0.00 0.00 173.24 174.27 2if7 s VAL 16 N -2.77 0.00 -0.09 3.43 0.11 0.17 -4.63 120.40 116.62 2if7 s VAL 16 Ca 0.25 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.34 2if7 s VAL 16 Cb 0.06 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.91 2if7 s VAL 16 CO 0.13 0.00 -0.24 -0.89 -3.33 0.00 0.00 175.10 170.77 2if7 s THR 17 N -1.43 2.10 -0.51 5.04 2.01 -1.26 -0.30 115.64 121.29 2if7 s THR 17 Ca -0.09 -1.02 -0.15 0.00 0.31 0.00 0.00 61.69 60.74 2if7 s THR 17 Cb -0.00 -1.79 0.11 0.00 0.01 0.00 0.00 72.50 70.83 2if7 s THR 17 CO 0.07 0.56 0.45 -0.76 -0.69 0.00 0.00 174.62 174.25 2if7 s LEU 18 N 0.19 5.93 -0.67 4.42 1.43 0.08 -4.98 118.68 125.09 2if7 s LEU 18 Ca -0.14 -1.62 -0.26 0.00 -1.03 0.00 0.00 54.13 51.08 2if7 s LEU 18 Cb -0.17 -2.18 -0.02 0.00 0.03 0.00 0.00 46.19 43.85 2if7 s LEU 18 CO 0.07 -0.76 1.83 -2.84 0.23 0.00 0.00 176.35 174.88 2if7 s PRO 19 N 1.60 2.67 0.19 1.29 0.02 -1.26 -2.21 135.00 137.30 2if7 s PRO 19 Ca 0.04 0.41 -0.30 0.00 0.02 0.00 0.00 61.00 61.16 2if7 s PRO 19 Cb -0.27 -4.48 -0.08 0.00 0.02 0.00 0.00 34.50 29.69 2if7 s PRO 19 CO 0.04 -2.77 1.25 -1.17 -0.33 0.00 0.00 177.00 174.02 2if7 s LEU 20 N 8.92 4.43 0.00 -5.54 0.20 -1.26 -5.00 118.68 120.44 2if7 s LEU 20 Ca 0.65 2.32 0.03 0.00 0.69 0.00 0.00 54.13 57.82 2if7 s LEU 20 Cb -0.11 -3.61 -0.01 0.00 -0.43 0.00 0.00 46.19 42.03 2if7 s LEU 20 CO 0.17 -0.45 0.12 1.21 -0.29 0.00 0.00 176.35 177.12 2if7 n GLU 21 N 2.53 0.18 -1.86 1.98 2.13 -1.26 -4.71 120.64 119.63 2if7 n GLU 21 Ca 0.05 -1.38 0.00 0.00 0.66 0.00 0.00 57.16 56.49 2if7 n GLU 21 Cb 0.44 1.15 0.00 0.00 0.27 0.00 0.00 31.44 33.29 2if7 n GLU 21 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2if7 n PHE 22 N -0.26 0.00 -0.19 4.31 3.01 -1.26 -4.95 117.46 118.12 2if7 n PHE 22 Ca 0.03 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.43 2if7 n PHE 22 Cb 0.25 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.72 2if7 n PHE 22 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 2if7 n PRO 23 N 0.00 0.00 0.00 -1.08 -0.02 -1.26 -5.20 135.00 127.44 2if7 n PRO 23 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2if7 n PRO 23 Cb 0.00 -0.14 0.00 0.00 -0.02 0.00 0.00 33.50 33.34 2if7 n PRO 23 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2if7 n ALA 24 N -0.03 0.00 0.00 3.55 0.00 -1.26 -5.07 120.51 117.70 2if7 n ALA 24 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2if7 n ALA 24 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 2if7 n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2if7 n GLY 25 N 0.80 3.17 3.90 0.00 0.00 -1.26 -5.05 105.19 106.76 2if7 n GLY 25 Ca 0.00 -0.92 -0.28 0.00 0.00 0.00 0.00 46.02 44.82 2if7 n GLY 25 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2if7 s GLU 26 N 0.00 3.63 -0.17 1.61 2.56 -1.26 -5.03 118.70 120.05 2if7 s GLU 26 Ca 0.00 0.03 -0.29 0.00 0.00 0.00 0.00 54.97 54.71 2if7 s GLU 26 Cb 0.00 -2.62 -0.03 0.00 2.00 0.00 0.00 34.13 33.48 2if7 s GLU 26 CO 0.00 0.17 1.60 0.21 -0.56 0.00 0.00 175.26 176.68 2if7 s LYS 27 N -3.67 3.94 0.13 4.30 2.20 -1.26 -4.97 119.74 120.41 2if7 s LYS 27 Ca 0.44 1.82 -0.31 0.00 -0.36 0.00 0.00 55.97 57.56 2if7 s LYS 27 Cb -0.11 -4.00 -0.10 0.00 -1.51 0.00 0.00 37.83 32.12 2if7 s LYS 27 CO 0.31 -1.12 1.72 0.08 -0.36 0.00 0.00 175.35 175.99 2if7 s VAL 28 N 4.73 2.60 -0.21 4.02 1.01 -1.26 -4.30 120.40 126.99 2if7 s VAL 28 Ca 0.71 0.22 -0.11 0.00 0.00 0.00 0.00 61.98 62.80 2if7 s VAL 28 Cb -0.27 -3.14 -0.19 0.00 0.00 0.00 0.00 36.38 32.78 2if7 s VAL 28 CO 0.28 0.01 0.03 0.59 0.00 0.00 0.00 175.10 176.00 2if7 n ASN 29 N 5.12 1.98 -4.03 3.32 3.02 -0.60 -4.89 115.26 119.17 2if7 n ASN 29 Ca 0.16 0.23 -0.09 0.00 -0.03 0.00 0.00 54.58 54.86 2if7 n ASN 29 Cb 0.38 -0.79 -0.09 0.00 -0.61 0.00 0.00 39.78 38.67 2if7 n ASN 29 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2if7 s PHE 30 N -2.48 0.53 -0.01 3.10 0.08 -0.93 -4.20 117.98 114.06 2if7 s PHE 30 Ca -0.31 -0.96 0.01 0.00 0.12 0.00 0.00 56.93 55.80 2if7 s PHE 30 Cb 0.09 -0.28 0.00 0.00 -0.57 0.00 0.00 43.02 42.26 2if7 s PHE 30 CO 0.62 -0.53 -0.03 -1.50 -0.10 0.00 0.00 175.22 173.67 2if7 s ILE 31 N -3.96 0.29 -0.04 0.64 2.07 0.13 -1.28 121.20 119.04 2if7 s ILE 31 Ca 0.14 -0.13 0.06 0.00 -1.41 0.00 0.00 60.65 59.31 2if7 s ILE 31 Cb 0.06 -0.26 -0.02 0.00 0.13 0.00 0.00 42.46 42.37 2if7 s ILE 31 CO -0.04 0.09 -0.21 -0.89 -1.91 0.00 0.00 174.94 171.98 2if7 s THR 32 N 0.06 2.42 -0.23 4.00 2.01 -0.84 0.11 115.64 123.16 2if7 s THR 32 Ca -0.00 -0.96 -0.06 0.00 0.31 0.00 0.00 61.69 60.98 2if7 s THR 32 Cb -0.03 -1.90 -0.02 0.00 0.01 0.00 0.00 72.50 70.56 2if7 s THR 32 CO -0.00 0.58 0.03 0.26 -0.69 0.00 0.00 174.62 174.80 2if7 s TRP 33 N -0.50 3.05 0.05 4.92 0.52 0.10 -0.74 118.94 126.34 2if7 s TRP 33 Ca 0.06 -0.55 0.05 0.00 0.02 0.00 0.00 56.10 55.69 2if7 s TRP 33 Cb -0.11 -2.18 -0.04 0.00 -1.15 0.00 0.00 33.47 30.00 2if7 s TRP 33 CO 0.01 -0.38 -0.10 -0.51 0.02 0.00 0.00 176.95 176.00 2if7 s LEU 34 N 1.45 3.03 -0.10 2.99 1.43 0.19 0.11 118.68 127.78 2if7 s LEU 34 Ca 0.05 -0.28 -0.03 0.00 -1.03 0.00 0.00 54.13 52.84 2if7 s LEU 34 Cb -0.15 -1.78 0.04 0.00 0.03 0.00 0.00 46.19 44.33 2if7 s LEU 34 CO 0.02 0.24 0.06 0.12 0.23 0.00 0.00 176.35 177.01 2if7 s PHE 35 N -1.07 0.30 0.00 0.29 5.36 0.45 -1.08 117.98 122.23 2if7 s PHE 35 Ca 0.18 -0.10 0.00 0.00 -0.96 0.00 0.00 56.93 56.06 2if7 s PHE 35 Cb -0.11 -0.65 0.00 0.00 -0.34 0.00 0.00 43.02 41.92 2if7 s PHE 35 CO 0.10 -0.35 0.00 0.09 -1.46 0.00 0.00 175.22 173.59 2if7 n ASN 36 N 5.24 0.00 0.27 6.13 3.02 -0.38 -1.22 115.26 128.32 2if7 n ASN 36 Ca -0.05 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.65 2if7 n ASN 36 Cb 0.49 0.00 0.66 0.00 -0.61 0.00 0.00 39.78 40.33 2if7 n ASN 36 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2if7 h GLU 37 N 0.00 0.00 -6.35 3.52 3.07 -1.98 -3.46 114.58 109.37 2if7 h GLU 37 Ca 0.00 0.00 -0.44 0.00 -0.50 0.00 0.00 59.36 58.42 2if7 h GLU 37 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2if7 h GLU 37 CO 0.00 0.05 -0.31 0.95 -1.40 0.00 0.00 179.01 178.30 2if7 s THR 38 N -3.70 3.11 -0.05 1.13 -4.23 -0.36 -5.12 115.64 106.41 2if7 s THR 38 Ca 0.01 -1.09 -0.03 0.00 -1.18 0.00 0.00 61.69 59.39 2if7 s THR 38 Cb 0.09 -3.07 -0.04 0.00 1.34 0.00 0.00 72.50 70.83 2if7 s THR 38 CO 0.56 -0.03 0.11 -0.55 -0.54 0.00 0.00 174.62 174.17 2if7 s SER 39 N -4.26 6.02 -0.24 3.99 0.15 -1.26 -0.41 113.70 117.69 2if7 s SER 39 Ca 0.51 0.30 -0.16 0.00 0.70 0.00 0.00 55.95 57.30 2if7 s SER 39 Cb -0.08 -1.84 -0.12 0.00 -1.71 0.00 0.00 66.02 62.26 2if7 s SER 39 CO 0.31 0.33 -0.21 0.18 1.20 0.00 0.00 173.24 175.05 2if7 n LEU 40 N 1.51 1.92 -3.75 3.45 4.77 0.30 -3.88 117.00 121.32 2if7 n LEU 40 Ca -0.16 0.38 -0.12 0.00 -0.03 0.00 0.00 56.01 56.08 2if7 n LEU 40 Cb 0.54 -0.85 -0.11 0.00 -2.33 0.00 0.00 43.42 40.67 2if7 n LEU 40 CO 0.36 0.31 -0.03 0.00 -1.33 0.00 0.00 177.39 176.70 2if7 s ALA 41 N -2.55 -0.76 -0.15 -1.18 0.00 -0.87 0.17 121.76 116.42 2if7 s ALA 41 Ca -0.34 0.97 -0.05 0.00 0.00 0.00 0.00 51.96 52.54 2if7 s ALA 41 Cb 0.10 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 2if7 s ALA 41 CO 0.49 -0.17 0.03 0.12 0.00 0.00 0.00 175.76 176.23 2if7 s PHE 42 N 0.50 3.20 -0.11 0.00 5.36 0.20 0.00 117.98 127.13 2if7 s PHE 42 Ca -0.03 0.04 -0.01 0.00 -0.96 0.00 0.00 56.93 55.98 2if7 s PHE 42 Cb -0.04 -1.97 0.03 0.00 -0.34 0.00 0.00 43.02 40.70 2if7 s PHE 42 CO -0.03 0.23 -0.05 0.42 -1.46 0.00 0.00 175.22 174.33 2if7 s ILE 43 N -0.04 0.87 -0.49 3.12 1.01 0.12 0.40 121.20 126.18 2if7 s ILE 43 Ca 0.05 -0.24 -0.18 0.00 0.00 0.00 0.00 60.65 60.27 2if7 s ILE 43 Cb -0.12 -0.95 0.06 0.00 0.01 0.00 0.00 42.46 41.45 2if7 s ILE 43 CO 0.02 0.29 0.58 -0.69 0.00 0.00 0.00 174.94 175.14 2if7 s VAL 44 N 1.77 4.94 0.45 2.92 1.01 0.18 -0.69 120.40 130.98 2if7 s VAL 44 Ca 0.04 -0.53 -0.22 0.00 0.00 0.00 0.00 61.98 61.26 2if7 s VAL 44 Cb -0.13 -4.25 -0.08 0.00 0.00 0.00 0.00 36.38 31.92 2if7 s VAL 44 CO -0.07 -0.73 1.08 -2.84 0.00 0.00 0.00 175.10 172.54 2if7 s PRO 45 N 2.45 3.91 0.01 2.72 0.02 -1.26 -1.91 135.00 140.94 2if7 s PRO 45 Ca 0.14 1.55 0.01 0.00 0.02 0.00 0.00 61.00 62.71 2if7 s PRO 45 Cb -0.19 -2.36 -0.01 0.00 0.02 0.00 0.00 34.50 31.96 2if7 s PRO 45 CO 0.12 -0.37 -0.03 -1.01 -0.33 0.00 0.00 177.00 175.37 2if7 s HIS 46 N -1.71 0.25 -0.01 6.54 3.76 -1.26 -4.94 115.29 117.91 2if7 s HIS 46 Ca 0.63 -0.20 -0.08 0.00 -0.15 0.00 0.00 55.06 55.26 2if7 s HIS 46 Cb -0.22 -0.16 -0.05 0.00 1.11 0.00 0.00 32.58 33.26 2if7 s HIS 46 CO 0.27 -0.05 0.63 1.05 -0.85 0.00 0.00 174.74 175.79 2if7 h GLU 47 N 5.59 -0.28 -0.09 1.40 -0.00 -1.97 -3.40 114.58 115.83 2if7 h GLU 47 Ca -0.28 0.02 -0.02 0.00 -0.00 0.00 0.00 59.36 59.08 2if7 h GLU 47 Cb 1.20 0.06 -0.00 0.00 -0.00 0.00 0.00 28.75 30.02 2if7 h GLU 47 CO 0.47 -0.19 -0.03 0.00 -0.00 0.00 0.00 179.01 179.26 2if7 h THR 48 N -0.50 1.31 -2.77 -1.06 1.03 -2.05 -3.46 112.91 105.41 2if7 h THR 48 Ca -0.03 -1.00 -0.45 0.00 -0.01 0.00 0.00 66.41 64.91 2if7 h THR 48 Cb 0.23 1.79 0.08 0.00 -1.07 0.00 0.00 68.15 69.17 2if7 h THR 48 CO 0.05 0.28 0.12 -0.54 -0.01 0.00 0.00 175.52 175.42 2if7 s LYS 49 N -4.64 1.95 0.90 0.00 1.02 -1.26 -5.08 119.74 112.63 2if7 s LYS 49 Ca -0.15 -0.77 -0.11 0.00 0.02 0.00 0.00 55.97 54.97 2if7 s LYS 49 Cb 0.04 -2.30 0.14 0.00 -0.52 0.00 0.00 37.83 35.19 2if7 s LYS 49 CO 0.71 -1.28 1.11 -1.12 -0.92 0.00 0.00 175.35 173.85 2if7 s SER 50 N -4.61 3.20 0.35 2.83 0.01 -1.26 -4.59 113.70 109.63 2if7 s SER 50 Ca 0.63 1.88 -0.10 0.00 1.31 0.00 0.00 55.95 59.68 2if7 s SER 50 Cb -0.08 -2.45 -0.06 0.00 0.21 0.00 0.00 66.02 63.64 2if7 s SER 50 CO 0.43 -2.87 0.70 -2.16 0.41 0.00 0.00 173.24 169.75 2if7 s PRO 51 N -4.75 3.77 -0.28 12.44 0.04 -1.26 -4.61 135.00 140.36 2if7 s PRO 51 Ca 0.65 0.37 -0.27 0.00 0.04 0.00 0.00 61.00 61.79 2if7 s PRO 51 Cb -0.21 -2.48 0.01 0.00 0.04 0.00 0.00 34.50 31.87 2if7 s PRO 51 CO 0.58 0.07 0.94 -1.21 0.04 0.00 0.00 177.00 177.42 2if7 s GLU 52 N -3.60 4.11 -0.16 4.56 2.02 -0.80 -4.93 118.70 119.89 2if7 s GLU 52 Ca 0.50 0.98 -0.02 0.00 0.02 0.00 0.00 54.97 56.45 2if7 s GLU 52 Cb -0.10 -3.69 -0.01 0.00 0.10 0.00 0.00 34.13 30.42 2if7 s GLU 52 CO 0.29 -0.70 -0.09 0.42 0.02 0.00 0.00 175.26 175.20 2if7 s ILE 53 N 3.19 3.24 -0.22 -1.63 1.01 -1.26 -0.64 121.20 124.89 2if7 s ILE 53 Ca 0.39 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.47 2if7 s ILE 53 Cb -0.14 -2.41 0.03 0.00 0.01 0.00 0.00 42.46 39.95 2if7 s ILE 53 CO 0.11 0.49 -0.13 -1.00 0.00 0.00 0.00 174.94 174.41 2if7 s HIS 54 N 0.71 2.98 -0.26 3.97 3.76 0.16 -4.99 115.29 121.63 2if7 s HIS 54 Ca -0.04 -1.72 -0.22 0.00 -0.15 0.00 0.00 55.06 52.92 2if7 s HIS 54 Cb -0.15 -1.98 -0.01 0.00 1.11 0.00 0.00 32.58 31.55 2if7 s HIS 54 CO 0.02 -0.78 0.73 0.08 -0.85 0.00 0.00 174.74 173.94 2if7 s VAL 55 N 1.27 4.90 -1.07 -0.90 1.01 -1.26 0.59 120.40 124.94 2if7 s VAL 55 Ca 0.01 1.30 0.20 0.00 0.00 0.00 0.00 61.98 63.49 2if7 s VAL 55 Cb -0.16 -4.04 -0.19 0.00 0.00 0.00 0.00 36.38 31.99 2if7 s VAL 55 CO -0.08 -0.06 0.88 0.35 0.00 0.00 0.00 175.10 176.19 2if7 n THR 56 N 5.27 0.00 -3.89 3.92 -2.24 0.12 -4.74 114.28 112.73 2if7 n THR 56 Ca 0.02 -0.05 -0.30 0.00 -2.27 0.00 0.00 64.05 61.45 2if7 n THR 56 Cb 0.48 1.03 -0.14 0.00 -2.10 0.00 0.00 70.33 69.61 2if7 n THR 56 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2if7 s ASN 57 N -2.84 4.18 0.00 3.42 2.47 -0.97 -4.91 114.94 116.30 2if7 s ASN 57 Ca 0.09 -2.99 0.00 0.00 0.42 0.00 0.00 52.86 50.38 2if7 s ASN 57 Cb 0.15 -1.50 0.00 0.00 -1.45 0.00 0.00 41.25 38.45 2if7 s ASN 57 CO 0.79 -0.23 0.47 -2.65 -3.72 0.00 0.00 177.10 171.77 2if7 n PRO 58 N 3.12 0.00 0.00 0.43 -0.01 -1.26 -2.31 135.00 134.97 2if7 n PRO 58 Ca 0.07 0.47 0.00 0.00 -0.01 0.00 0.00 63.50 64.03 2if7 n PRO 58 Cb 0.33 -0.76 0.00 0.00 -0.01 0.00 0.00 33.50 33.06 2if7 n PRO 58 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 175.50 176.66 2if7 n LYS 59 N -1.94 0.00 -0.30 -0.52 3.00 -1.26 -2.27 118.16 114.87 2if7 n LYS 59 Ca 0.00 0.16 0.05 0.00 -0.00 0.00 0.00 58.31 58.52 2if7 n LYS 59 Cb 0.00 -0.73 0.11 0.00 0.00 0.00 0.00 35.03 34.41 2if7 n LYS 59 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 2if7 n GLN 60 N -0.40 -0.08 -0.57 1.64 7.27 -1.25 -0.97 117.38 123.02 2if7 n GLN 60 Ca 0.00 1.31 0.44 0.00 0.07 0.00 0.00 57.00 58.82 2if7 n GLN 60 Cb 0.00 -1.96 0.68 0.00 2.41 0.00 0.00 30.24 31.37 2if7 n GLN 60 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2if7 n GLY 61 N -1.52 -0.82 0.34 1.69 0.00 -0.96 -0.05 105.19 103.86 2if7 n GLY 61 Ca 0.13 0.60 0.07 0.00 0.00 0.00 0.00 46.02 46.82 2if7 n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2if7 h LYS 62 N 0.00 0.80 -0.74 1.61 1.57 -1.05 -2.73 116.57 116.04 2if7 h LYS 62 Ca 0.79 -0.05 -0.35 0.00 -1.87 0.00 0.00 60.65 59.18 2if7 h LYS 62 Cb 3.08 -0.18 -0.21 0.00 0.08 0.00 0.00 32.23 35.01 2if7 h LYS 62 CO -0.08 0.53 0.35 0.54 -0.57 0.00 0.00 179.45 180.22 2if7 n ARG 63 N -4.73 2.42 -4.96 3.15 1.74 0.92 -4.96 116.66 110.25 2if7 n ARG 63 Ca 0.18 -3.07 -0.33 0.00 -0.77 0.00 0.00 57.85 53.86 2if7 n ARG 63 Cb 0.39 -2.07 -0.15 0.00 -1.02 0.00 0.00 32.46 29.61 2if7 n ARG 63 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2if7 s LEU 64 N -3.21 2.46 0.28 0.55 0.20 -1.03 -1.06 118.68 116.87 2if7 s LEU 64 Ca 0.52 -0.42 0.04 0.00 0.69 0.00 0.00 54.13 54.97 2if7 s LEU 64 Cb 0.45 -1.53 -0.03 0.00 -0.43 0.00 0.00 46.19 44.64 2if7 s LEU 64 CO 0.08 0.17 0.22 0.20 -0.29 0.00 0.00 176.35 176.74 2if7 s ASN 65 N 0.30 1.14 0.02 3.68 0.01 0.29 -5.01 114.94 115.36 2if7 s ASN 65 Ca -0.13 -1.63 0.02 0.00 -0.71 0.00 0.00 52.86 50.41 2if7 s ASN 65 Cb -0.16 0.49 -0.01 0.00 0.41 0.00 0.00 41.25 41.97 2if7 s ASN 65 CO 0.07 -0.98 -0.06 -0.36 -1.51 0.00 0.00 177.10 174.25 2if7 s PHE 66 N -3.70 0.55 0.96 2.20 0.08 -1.26 -0.70 117.98 116.11 2if7 s PHE 66 Ca 0.40 -0.27 -0.16 0.00 0.12 0.00 0.00 56.93 57.02 2if7 s PHE 66 Cb 0.04 -0.34 0.20 0.00 -0.57 0.00 0.00 43.02 42.35 2if7 s PHE 66 CO 0.22 -0.04 1.31 0.95 -0.10 0.00 0.00 175.22 177.56 2if7 s THR 67 N -0.69 1.99 0.65 0.64 -4.23 -0.78 -4.84 115.64 108.38 2if7 s THR 67 Ca -0.04 0.00 0.34 0.00 -1.18 0.00 0.00 61.69 60.82 2if7 s THR 67 Cb -0.06 -2.99 0.36 0.00 1.34 0.00 0.00 72.50 71.16 2if7 s THR 67 CO 0.00 0.00 2.10 -0.61 -0.54 0.00 0.00 174.62 175.57 2if7 h GLN 68 N -1.65 0.00 -0.21 3.99 5.75 -2.02 -1.20 115.11 119.77 2if7 h GLN 68 Ca -0.44 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.06 2if7 h GLN 68 Cb 1.24 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.79 2if7 h GLN 68 CO 0.39 0.00 0.00 -1.13 -2.65 0.00 0.00 178.83 175.44 2if7 n SER 69 N -3.18 2.59 -0.48 -0.69 3.41 -1.26 -4.96 113.62 109.05 2if7 n SER 69 Ca -0.01 -1.77 -0.05 0.00 -0.26 0.00 0.00 58.87 56.77 2if7 n SER 69 Cb 0.29 -0.14 -0.02 0.00 -0.26 0.00 0.00 64.21 64.08 2if7 n SER 69 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2if7 n TYR 70 N 0.71 -0.09 -2.24 7.33 4.01 -0.45 -4.88 117.16 121.56 2if7 n TYR 70 Ca 0.11 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.46 2if7 n TYR 70 Cb 0.39 -1.43 -0.01 0.00 -0.31 0.00 0.00 39.34 37.98 2if7 n TYR 70 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2if7 s SER 71 N -2.88 6.43 0.11 7.72 0.01 -1.26 -4.69 113.70 119.13 2if7 s SER 71 Ca 0.00 2.40 -0.30 0.00 1.31 0.00 0.00 55.95 59.36 2if7 s SER 71 Cb 0.00 -2.62 -0.06 0.00 0.21 0.00 0.00 66.02 63.55 2if7 s SER 71 CO 0.00 -0.75 1.10 -0.22 0.41 0.00 0.00 173.24 173.79 2if7 s LEU 72 N -2.55 4.43 -0.17 2.44 2.96 -0.94 -1.87 118.68 122.98 2if7 s LEU 72 Ca 0.58 1.98 0.01 0.00 -0.22 0.00 0.00 54.13 56.47 2if7 s LEU 72 Cb -0.32 -3.59 0.03 0.00 0.50 0.00 0.00 46.19 42.81 2if7 s LEU 72 CO 0.40 -0.30 -0.16 -1.10 -1.32 0.00 0.00 176.35 173.87 2if7 s GLN 73 N 0.35 2.56 -0.13 1.98 -0.21 0.12 -0.74 119.66 123.60 2if7 s GLN 73 Ca 0.53 -0.74 0.02 0.00 0.02 0.00 0.00 55.36 55.19 2if7 s GLN 73 Cb -0.28 -2.37 0.01 0.00 1.00 0.00 0.00 33.01 31.37 2if7 s GLN 73 CO 0.32 -0.26 -0.20 -1.17 -2.12 0.00 0.00 175.29 171.86 2if7 s LEU 74 N 1.38 1.98 0.36 2.90 2.96 0.59 -0.55 118.68 128.29 2if7 s LEU 74 Ca 0.04 -0.54 0.08 0.00 -0.22 0.00 0.00 54.13 53.49 2if7 s LEU 74 Cb -0.14 -1.32 -0.05 0.00 0.50 0.00 0.00 46.19 45.18 2if7 s LEU 74 CO -0.11 0.06 0.09 -0.94 -1.32 0.00 0.00 176.35 174.13 2if7 s SER 75 N 0.85 4.40 -1.07 3.68 1.04 -0.23 0.46 113.70 122.82 2if7 s SER 75 Ca -0.08 -0.94 -0.22 0.00 0.48 0.00 0.00 55.95 55.19 2if7 s SER 75 Cb -0.15 -0.58 0.03 0.00 0.10 0.00 0.00 66.02 65.41 2if7 s SER 75 CO -0.01 -0.33 0.66 -3.20 0.98 0.00 0.00 173.24 171.34 2if7 n ASN 76 N -1.08 -4.51 -4.75 7.02 2.85 -0.85 -4.79 115.26 109.14 2if7 n ASN 76 Ca -0.03 -1.16 -0.41 0.00 -0.11 0.00 0.00 54.58 52.87 2if7 n ASN 76 Cb 0.63 -1.82 -0.02 0.00 1.24 0.00 0.00 39.78 39.80 2if7 n ASN 76 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2if7 s LEU 77 N -6.52 4.37 0.31 1.20 1.43 0.69 -4.75 118.68 115.41 2if7 s LEU 77 Ca 0.32 2.77 0.08 0.00 -1.03 0.00 0.00 54.13 56.27 2if7 s LEU 77 Cb -0.17 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.38 2if7 s LEU 77 CO 0.94 -0.75 0.13 -0.54 0.23 0.00 0.00 176.35 176.36 2if7 s LYS 78 N -0.65 2.47 0.19 1.70 1.02 -1.26 -0.94 119.74 122.26 2if7 s LYS 78 Ca 0.59 -1.42 -0.12 0.00 0.02 0.00 0.00 55.97 55.04 2if7 s LYS 78 Cb -0.43 -2.26 0.21 0.00 -0.52 0.00 0.00 37.83 34.83 2if7 s LYS 78 CO 0.47 0.21 1.74 0.52 -0.92 0.00 0.00 175.35 177.36 2if7 h MET 79 N 1.59 0.33 -0.15 1.68 2.86 -1.96 -0.43 114.93 118.86 2if7 h MET 79 Ca -0.45 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 2if7 h MET 79 Cb 1.25 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.83 2if7 h MET 79 CO 0.62 0.22 0.00 -0.85 1.06 0.00 0.00 176.91 177.96 2if7 n GLU 80 N -5.03 0.40 0.09 1.72 0.00 -1.26 -1.57 120.64 114.99 2if7 n GLU 80 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.34 2if7 n GLU 80 Cb 0.23 -1.07 0.02 0.00 0.00 0.00 0.00 31.44 30.62 2if7 n GLU 80 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2if7 n ASP 81 N -0.21 0.78 -4.77 -1.84 8.00 -0.17 -4.95 116.55 113.39 2if7 n ASP 81 Ca 0.00 0.25 -0.40 0.00 0.71 0.00 0.00 54.79 55.35 2if7 n ASP 81 Cb 0.04 0.51 0.02 0.00 -0.02 0.00 0.00 41.12 41.66 2if7 n ASP 81 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2if7 s THR 82 N -3.33 2.15 -5.00 -3.53 2.01 -0.61 -4.92 115.64 102.41 2if7 s THR 82 Ca 0.00 0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.14 2if7 s THR 82 Cb 0.11 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.54 2if7 s THR 82 CO 0.79 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 175.35 2if7 n GLY 83 N 0.60 -0.25 3.56 4.40 0.00 -0.85 -5.00 105.19 107.64 2if7 n GLY 83 Ca 0.05 -1.52 -0.39 0.00 0.00 0.00 0.00 46.02 44.16 2if7 n GLY 83 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2if7 s SER 84 N -4.00 6.04 -0.03 1.61 0.15 -1.26 -0.82 113.70 115.40 2if7 s SER 84 Ca 0.00 -0.24 -0.02 0.00 0.70 0.00 0.00 55.95 56.39 2if7 s SER 84 Cb 0.00 -2.13 -0.04 0.00 -1.71 0.00 0.00 66.02 62.14 2if7 s SER 84 CO 0.00 -0.15 0.10 -0.31 1.20 0.00 0.00 173.24 174.08 2if7 s TYR 85 N 1.74 3.37 -0.10 3.44 1.51 -0.31 -1.24 117.35 125.76 2if7 s TYR 85 Ca 0.07 0.28 -0.05 0.00 -1.01 0.00 0.00 57.07 56.35 2if7 s TYR 85 Cb -0.17 -1.78 0.04 0.00 -0.11 0.00 0.00 41.96 39.94 2if7 s TYR 85 CO 0.11 0.59 0.22 1.03 -1.11 0.00 0.00 175.55 176.39 2if7 s ARG 86 N -1.63 0.18 -0.28 -0.62 0.52 -0.24 0.72 118.95 117.61 2if7 s ARG 86 Ca 0.22 0.48 -0.10 0.00 -0.52 0.00 0.00 55.73 55.82 2if7 s ARG 86 Cb -0.12 -0.12 -0.03 0.00 0.52 0.00 0.00 34.95 35.19 2if7 s ARG 86 CO 0.13 -0.16 0.14 0.00 0.02 0.00 0.00 175.30 175.43 2if7 s ALA 87 N 1.19 3.36 -0.48 2.13 0.00 0.13 -0.64 121.76 127.44 2if7 s ALA 87 Ca -0.09 -1.17 -0.12 0.00 0.00 0.00 0.00 51.96 50.57 2if7 s ALA 87 Cb -0.10 -2.34 0.11 0.00 0.00 0.00 0.00 23.12 20.79 2if7 s ALA 87 CO -0.08 -0.62 0.39 -1.14 0.00 0.00 0.00 175.76 174.31 2if7 s GLN 88 N 1.68 2.74 -0.71 0.00 0.74 0.08 -0.69 119.66 123.51 2if7 s GLN 88 Ca 0.06 -1.63 -0.25 0.00 0.05 0.00 0.00 55.36 53.60 2if7 s GLN 88 Cb -0.16 -4.05 0.05 0.00 1.10 0.00 0.00 33.01 29.95 2if7 s GLN 88 CO 0.08 -1.17 1.13 0.42 -0.55 0.00 0.00 175.29 175.19 2if7 s ILE 89 N 1.49 4.03 -0.60 -2.34 1.01 -0.48 -1.99 121.20 122.32 2if7 s ILE 89 Ca 0.04 -0.00 -0.26 0.00 0.00 0.00 0.00 60.65 60.43 2if7 s ILE 89 Cb -0.27 -4.81 0.04 0.00 0.01 0.00 0.00 42.46 37.44 2if7 s ILE 89 CO 0.02 -1.66 1.08 -0.44 0.00 0.00 0.00 174.94 173.93 2if7 s SER 90 N 3.73 6.33 0.00 3.58 0.01 -0.41 -3.01 113.70 123.94 2if7 s SER 90 Ca 0.29 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.27 2if7 s SER 90 Cb -0.12 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.62 2if7 s SER 90 CO 0.12 -1.42 0.00 1.07 0.41 0.00 0.00 173.24 173.42 2if7 n THR 91 N 6.35 0.00 0.83 1.44 5.66 -0.32 -1.56 114.28 126.68 2if7 n THR 91 Ca 0.04 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 61.13 2if7 n THR 91 Cb 0.48 -0.31 0.02 0.00 -1.55 0.00 0.00 70.33 68.97 2if7 n THR 91 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2if7 n LYS 92 N 0.00 1.58 0.00 1.09 4.81 -1.26 -4.49 118.16 119.89 2if7 n LYS 92 Ca 0.00 -1.13 0.00 0.00 -0.87 0.00 0.00 58.31 56.31 2if7 n LYS 92 Cb 0.00 -1.37 0.00 0.00 0.02 0.00 0.00 35.03 33.68 2if7 n LYS 92 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2if7 n THR 93 N 0.29 0.00 -3.94 3.15 -2.24 -1.26 -5.12 114.28 105.16 2if7 n THR 93 Ca 0.09 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.78 2if7 n THR 93 Cb 0.43 1.28 -0.05 0.00 -2.10 0.00 0.00 70.33 69.88 2if7 n THR 93 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2if7 s SER 94 N 0.00 -0.10 -0.44 3.42 1.04 -1.26 -5.11 113.70 111.24 2if7 s SER 94 Ca 0.00 -0.82 0.05 0.00 0.48 0.00 0.00 55.95 55.66 2if7 s SER 94 Cb 0.00 0.56 0.17 0.00 0.10 0.00 0.00 66.02 66.85 2if7 s SER 94 CO 0.00 -1.08 0.48 0.00 0.98 0.00 0.00 173.24 173.62 2if7 s ALA 95 N -3.98 -0.11 0.35 5.32 0.00 -1.26 -1.18 121.76 120.91 2if7 s ALA 95 Ca 0.19 -1.52 -0.16 0.00 0.00 0.00 0.00 51.96 50.46 2if7 s ALA 95 Cb -0.00 -2.06 -0.09 0.00 0.00 0.00 0.00 23.12 20.97 2if7 s ALA 95 CO 0.05 -2.09 0.78 0.15 0.00 0.00 0.00 175.76 174.65 2if7 s LYS 96 N 0.55 4.05 -0.10 0.00 1.02 -1.16 -4.79 119.74 119.31 2if7 s LYS 96 Ca 0.29 0.77 0.01 0.00 0.02 0.00 0.00 55.97 57.06 2if7 s LYS 96 Cb -0.00 -2.38 -0.02 0.00 -0.52 0.00 0.00 37.83 34.91 2if7 s LYS 96 CO -0.12 0.12 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.80 2if7 s LEU 97 N -3.03 2.85 -0.19 3.17 1.43 -1.26 -1.38 118.68 120.28 2if7 s LEU 97 Ca 0.56 -0.23 -0.09 0.00 -1.03 0.00 0.00 54.13 53.35 2if7 s LEU 97 Cb -0.10 -1.63 -0.05 0.00 0.03 0.00 0.00 46.19 44.45 2if7 s LEU 97 CO 0.16 0.24 0.10 -0.44 0.23 0.00 0.00 176.35 176.65 2if7 s SER 98 N -0.10 5.99 -0.05 2.29 0.01 0.13 -4.92 113.70 117.05 2if7 s SER 98 Ca -0.01 0.19 0.04 0.00 1.31 0.00 0.00 55.95 57.48 2if7 s SER 98 Cb -0.14 -2.03 -0.02 0.00 0.21 0.00 0.00 66.02 64.04 2if7 s SER 98 CO 0.03 0.20 -0.16 -0.44 0.41 0.00 0.00 173.24 173.28 2if7 s SER 99 N 0.25 3.85 0.08 2.44 0.01 -1.26 0.20 113.70 119.27 2if7 s SER 99 Ca 0.07 -0.25 0.06 0.00 1.31 0.00 0.00 55.95 57.13 2if7 s SER 99 Cb -0.12 -0.82 -0.03 0.00 0.21 0.00 0.00 66.02 65.26 2if7 s SER 99 CO -0.01 0.33 -0.16 -0.31 0.41 0.00 0.00 173.24 173.50 2if7 s TYR 100 N -0.63 1.41 -0.33 2.43 1.51 0.22 -0.75 117.35 121.21 2if7 s TYR 100 Ca 0.09 -0.44 -0.04 0.00 -1.01 0.00 0.00 57.07 55.67 2if7 s TYR 100 Cb -0.11 -0.79 0.05 0.00 -0.11 0.00 0.00 41.96 41.00 2if7 s TYR 100 CO 0.01 0.10 0.08 0.99 -1.11 0.00 0.00 175.55 175.62 2if7 s THR 101 N -1.21 3.43 -0.12 -0.71 2.01 0.70 -1.16 115.64 118.59 2if7 s THR 101 Ca 0.01 -1.34 -0.24 0.00 0.31 0.00 0.00 61.69 60.42 2if7 s THR 101 Cb -0.10 -3.00 -0.03 0.00 0.01 0.00 0.00 72.50 69.38 2if7 s THR 101 CO 0.03 -0.22 0.76 -0.22 -0.69 0.00 0.00 174.62 174.28 2if7 s LEU 102 N 1.31 4.24 0.05 4.42 2.96 0.00 -1.36 118.68 130.31 2if7 s LEU 102 Ca -0.02 1.16 0.09 0.00 -0.22 0.00 0.00 54.13 55.14 2if7 s LEU 102 Cb -0.20 -3.15 -0.03 0.00 0.50 0.00 0.00 46.19 43.31 2if7 s LEU 102 CO 0.00 -0.26 -0.25 -0.60 -1.32 0.00 0.00 176.35 173.93 2if7 s ARG 103 N 1.50 1.82 -0.16 1.98 3.52 -0.47 -2.01 118.95 125.12 2if7 s ARG 103 Ca 0.37 -1.11 0.00 0.00 -0.13 0.00 0.00 55.73 54.87 2if7 s ARG 103 Cb -0.17 -2.01 0.03 0.00 -1.56 0.00 0.00 34.95 31.23 2if7 s ARG 103 CO 0.15 0.51 -0.13 0.42 -0.81 0.00 0.00 175.30 175.44 2if7 s ILE 104 N -0.86 1.61 -0.00 4.11 -1.09 -1.26 0.81 121.20 124.51 2if7 s ILE 104 Ca 0.13 -0.74 0.02 0.00 -2.23 0.00 0.00 60.65 57.83 2if7 s ILE 104 Cb -0.10 -1.55 -0.01 0.00 -1.58 0.00 0.00 42.46 39.22 2if7 s ILE 104 CO 0.03 0.39 -0.07 -0.76 -1.23 0.00 0.00 174.94 173.30 2if7 s LEU 105 N 1.46 2.03 0.54 2.97 1.02 -0.85 -4.87 118.68 120.98 2if7 s LEU 105 Ca 0.03 -0.16 -0.20 0.00 0.02 0.00 0.00 54.13 53.83 2if7 s LEU 105 Cb -0.14 -0.35 -0.06 0.00 0.02 0.00 0.00 46.19 45.66 2if7 s LEU 105 CO -0.10 0.07 1.15 -0.13 0.02 0.00 0.00 176.35 177.36 2if7 s ARG 106 N -0.27 3.34 0.05 1.70 0.52 -1.26 -2.92 118.95 120.10 2if7 s ARG 106 Ca 0.02 1.68 -0.30 0.00 -0.52 0.00 0.00 55.73 56.60 2if7 s ARG 106 Cb -0.03 -2.04 -0.05 0.00 0.52 0.00 0.00 34.95 33.34 2if7 s ARG 106 CO -0.00 -0.88 1.14 -1.14 0.02 0.00 0.00 175.30 174.44 2if7 s GLN 107 N -3.21 4.46 0.32 3.54 0.74 -1.26 -4.95 119.66 119.29 2if7 s GLN 107 Ca 0.72 1.68 -0.29 0.00 0.05 0.00 0.00 55.36 57.52 2if7 s GLN 107 Cb -0.26 -3.37 -0.12 0.00 1.10 0.00 0.00 33.01 30.36 2if7 s GLN 107 CO 0.29 -0.20 1.47 1.28 -0.55 0.00 0.00 175.29 177.58 2if7 n LEU 108 N 3.92 4.07 -4.15 3.68 4.77 -1.26 -4.93 117.00 123.10 2if7 n LEU 108 Ca 0.08 1.18 -0.11 0.00 -0.03 0.00 0.00 56.01 57.13 2if7 n LEU 108 Cb 0.48 -1.55 -0.09 0.00 -2.33 0.00 0.00 43.42 39.93 2if7 n LEU 108 CO 0.55 -0.10 -0.18 0.00 -1.33 0.00 0.00 177.39 176.33 2if7 s ARG 109 N -1.20 1.19 -1.32 3.23 1.70 -1.19 -4.94 118.95 116.43 2if7 s ARG 109 Ca 0.60 -1.51 -0.01 0.00 -0.47 0.00 0.00 55.73 54.33 2if7 s ARG 109 Cb -0.53 0.30 -0.00 0.00 -0.57 0.00 0.00 34.95 34.14 2if7 s ARG 109 CO 0.56 -0.40 0.62 -1.71 -1.08 0.00 0.00 175.30 173.29 2if7 n ASN 110 N -0.25 -1.24 -4.75 -2.89 5.15 -1.26 -1.09 115.26 108.93 2if7 n ASN 110 Ca -0.00 -0.89 -0.41 0.00 -0.60 0.00 0.00 54.58 52.68 2if7 n ASN 110 Cb 0.65 -3.73 -0.02 0.00 -0.53 0.00 0.00 39.78 36.15 2if7 n ASN 110 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 2if7 s ILE 111 N -3.74 2.62 0.06 -1.44 2.07 -1.26 -4.18 121.20 115.33 2if7 s ILE 111 Ca 0.04 0.56 -0.04 0.00 -1.41 0.00 0.00 60.65 59.79 2if7 s ILE 111 Cb -0.01 -3.36 -0.02 0.00 0.13 0.00 0.00 42.46 39.20 2if7 s ILE 111 CO 0.84 0.11 0.06 -1.58 -1.91 0.00 0.00 174.94 172.45 2if7 s GLN 112 N -0.94 0.69 -0.04 3.50 2.00 -0.76 -4.99 119.66 119.12 2if7 s GLN 112 Ca 0.56 -1.07 0.00 0.00 -2.00 0.00 0.00 55.36 52.85 2if7 s GLN 112 Cb -0.42 0.26 0.02 0.00 0.80 0.00 0.00 33.01 33.68 2if7 s GLN 112 CO 0.48 -0.17 -0.02 0.08 -0.50 0.00 0.00 175.29 175.16 2if7 s VAL 113 N -3.74 0.33 0.13 1.34 1.01 -1.26 -1.25 120.40 116.96 2if7 s VAL 113 Ca 0.05 0.01 0.10 0.00 0.00 0.00 0.00 61.98 62.14 2if7 s VAL 113 Cb 0.06 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 2if7 s VAL 113 CO -0.10 0.19 -0.24 0.42 0.00 0.00 0.00 175.10 175.37 2if7 s THR 114 N 1.08 2.07 0.23 3.92 -4.23 -0.75 -4.99 115.64 112.98 2if7 s THR 114 Ca -0.09 -1.75 0.09 0.00 -1.18 0.00 0.00 61.69 58.76 2if7 s THR 114 Cb -0.14 -1.87 -0.05 0.00 1.34 0.00 0.00 72.50 71.78 2if7 s THR 114 CO -0.01 -0.02 -0.15 0.21 -0.54 0.00 0.00 174.62 174.11 2if7 s ASN 115 N -2.15 2.86 -0.41 3.99 3.84 -1.26 -1.68 114.94 120.12 2if7 s ASN 115 Ca 0.13 -1.04 0.10 0.00 0.21 0.00 0.00 52.86 52.26 2if7 s ASN 115 Cb -0.09 -0.18 0.32 0.00 -0.55 0.00 0.00 41.25 40.74 2if7 s ASN 115 CO 0.06 -0.13 0.70 1.41 -2.79 0.00 0.00 177.10 176.34 2if7 n HIS 116 N -0.46 0.59 -0.25 0.43 8.25 -0.91 -5.01 115.22 117.86 2if7 n HIS 116 Ca -0.07 -3.79 0.01 0.00 -0.26 0.00 0.00 57.72 53.62 2if7 n HIS 116 Cb 0.61 -0.42 -0.01 0.00 1.12 0.00 0.00 29.99 31.29 2if7 n HIS 116 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2if7 n SER 117 N 0.55 -1.38 -0.79 0.41 7.64 -1.26 -4.51 113.62 114.28 2if7 n SER 117 Ca 0.25 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.41 2if7 n SER 117 Cb 0.59 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 2if7 n SER 117 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2if7 n GLN 121 N -2.00 0.00 0.00 1.43 6.02 -1.26 -3.03 117.38 118.55 2if7 n GLN 121 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 2if7 n GLN 121 Cb 0.10 -0.38 0.00 0.00 1.02 0.00 0.00 30.24 30.98 2if7 n GLN 121 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 2if7 n ASN 122 N -0.65 0.00 -0.20 1.08 6.94 -1.26 -4.64 115.26 116.53 2if7 n ASN 122 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2if7 n ASN 122 Cb 0.00 0.00 0.11 0.00 -2.36 0.00 0.00 39.78 37.53 2if7 n ASN 122 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2if7 h MET 123 N 0.00 0.32 -5.67 -3.83 -0.00 -2.02 -3.36 114.93 100.37 2if7 h MET 123 Ca 0.00 -0.02 -0.58 0.00 -0.00 0.00 0.00 59.70 59.10 2if7 h MET 123 Cb 0.00 -0.07 -0.09 0.00 -0.00 0.00 0.00 31.60 31.44 2if7 h MET 123 CO 0.00 0.21 -0.15 -0.08 -0.00 0.00 0.00 176.91 176.89 2if7 s THR 124 N -6.10 5.19 -0.17 -0.10 -1.32 -1.26 -4.59 115.64 107.30 2if7 s THR 124 Ca -0.13 0.90 -0.07 0.00 -1.21 0.00 0.00 61.69 61.18 2if7 s THR 124 Cb 0.17 -3.80 -0.04 0.00 -1.51 0.00 0.00 72.50 67.32 2if7 s THR 124 CO 0.74 0.31 0.07 0.00 -2.21 0.00 0.00 174.62 173.53 2if7 s GLU 126 N 0.11 2.59 -0.09 0.00 2.12 -1.26 0.84 118.70 123.00 2if7 s GLU 126 Ca 0.06 -0.99 -0.04 0.00 0.36 0.00 0.00 54.97 54.36 2if7 s GLU 126 Cb -0.12 -2.63 -0.04 0.00 0.26 0.00 0.00 34.13 31.60 2if7 s GLU 126 CO 0.00 -0.36 0.06 -0.51 -0.54 0.00 0.00 175.26 173.91 2if7 s LEU 127 N 1.25 3.90 -0.34 2.70 1.02 -0.76 -4.79 118.68 121.65 2if7 s LEU 127 Ca -0.00 0.26 -0.05 0.00 0.02 0.00 0.00 54.13 54.36 2if7 s LEU 127 Cb -0.16 -1.95 0.05 0.00 0.02 0.00 0.00 46.19 44.16 2if7 s LEU 127 CO -0.10 0.38 0.10 -1.00 0.02 0.00 0.00 176.35 175.76 2if7 s HIS 128 N -0.96 3.30 -0.09 0.29 3.76 -1.17 -2.33 115.29 118.09 2if7 s HIS 128 Ca 0.15 -1.67 -0.00 0.00 -0.15 0.00 0.00 55.06 53.39 2if7 s HIS 128 Cb -0.12 -2.41 -0.03 0.00 1.11 0.00 0.00 32.58 31.14 2if7 s HIS 128 CO 0.04 -0.79 -0.08 -0.51 -0.85 0.00 0.00 174.74 172.55 2if7 s LEU 129 N 1.33 3.08 -0.04 0.89 1.43 0.89 -2.13 118.68 124.13 2if7 s LEU 129 Ca -0.01 -0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.02 2if7 s LEU 129 Cb -0.20 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.33 2if7 s LEU 129 CO 0.01 0.29 -0.14 0.28 0.23 0.00 0.00 176.35 177.03 2if7 s THR 130 N -0.39 1.16 -0.21 5.49 -1.32 -0.68 -1.17 115.64 118.53 2if7 s THR 130 Ca 0.05 -0.56 -0.10 0.00 -1.21 0.00 0.00 61.69 59.88 2if7 s THR 130 Cb -0.12 -1.02 -0.05 0.00 -1.51 0.00 0.00 72.50 69.80 2if7 s THR 130 CO 0.02 0.35 0.13 0.00 -2.21 0.00 0.00 174.62 172.91 2if7 s SER 132 N 0.45 3.33 0.26 0.00 1.04 -0.38 -4.75 113.70 113.65 2if7 s SER 132 Ca 0.08 -1.43 -0.16 0.00 0.48 0.00 0.00 55.95 54.92 2if7 s SER 132 Cb -0.11 -0.13 0.01 0.00 0.10 0.00 0.00 66.02 65.88 2if7 s SER 132 CO -0.01 -0.58 0.57 -0.69 0.98 0.00 0.00 173.24 173.51 2if7 s VAL 133 N -2.96 0.00 0.08 5.02 1.01 -1.26 -1.82 120.40 120.47 2if7 s VAL 133 Ca 0.31 -1.24 0.10 0.00 0.00 0.00 0.00 61.98 61.15 2if7 s VAL 133 Cb 0.08 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 2if7 s VAL 133 CO 0.15 -0.00 -0.26 -1.61 0.00 0.00 0.00 175.10 173.38 2if7 s GLU 134 N -3.98 1.65 -0.82 2.72 2.02 -0.25 -4.63 118.70 115.40 2if7 s GLU 134 Ca 0.18 -1.21 -0.01 0.00 0.02 0.00 0.00 54.97 53.95 2if7 s GLU 134 Cb -0.03 -1.96 0.00 0.00 0.10 0.00 0.00 34.13 32.25 2if7 s GLU 134 CO 0.08 0.49 0.10 -0.25 0.02 0.00 0.00 175.26 175.69 2if7 n ASP 135 N 1.38 -3.49 -4.64 -0.19 8.00 -1.26 -3.14 116.55 113.21 2if7 n ASP 135 Ca -0.17 -0.05 -0.28 0.00 0.71 0.00 0.00 54.79 54.99 2if7 n ASP 135 Cb 0.52 -2.63 0.19 0.00 -0.02 0.00 0.00 41.12 39.18 2if7 n ASP 135 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2if7 s ALA 136 N -2.61 0.68 0.16 2.24 0.00 -1.26 -4.71 121.76 116.25 2if7 s ALA 136 Ca 0.05 -0.35 0.03 0.00 0.00 0.00 0.00 51.96 51.68 2if7 s ALA 136 Cb -0.02 -3.13 -0.01 0.00 0.00 0.00 0.00 23.12 19.96 2if7 s ALA 136 CO 0.06 -3.04 0.16 -0.25 0.00 0.00 0.00 175.76 172.69 2if7 n ASP 137 N -4.32 -0.43 0.28 0.00 9.92 -1.26 -5.01 116.55 115.72 2if7 n ASP 137 Ca 0.05 -2.02 0.16 0.00 -0.53 0.00 0.00 54.79 52.45 2if7 n ASP 137 Cb 0.57 0.93 0.78 0.00 -0.64 0.00 0.00 41.12 42.76 2if7 n ASP 137 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 2if7 h ASP 138 N 0.98 0.00 -0.90 -2.24 1.82 -2.05 -2.81 116.42 111.22 2if7 h ASP 138 Ca -0.12 0.00 -0.54 0.00 -0.39 0.00 0.00 57.03 55.99 2if7 h ASP 138 Cb 0.58 0.00 -0.28 0.00 0.68 0.00 0.00 39.33 40.31 2if7 h ASP 138 CO 0.17 0.06 0.56 0.59 -1.61 0.00 0.00 179.24 179.01 2if7 n ASN 139 N -3.28 5.05 -4.92 2.28 3.02 -1.26 -4.90 115.26 111.24 2if7 n ASN 139 Ca -0.01 -3.71 -0.26 0.00 -0.03 0.00 0.00 54.58 50.57 2if7 n ASN 139 Cb 0.25 -0.84 0.04 0.00 -0.61 0.00 0.00 39.78 38.63 2if7 n ASN 139 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2if7 s VAL 140 N -3.91 3.23 -0.24 2.41 1.01 -1.06 -4.72 120.40 117.12 2if7 s VAL 140 Ca 0.58 -0.11 -0.11 0.00 0.00 0.00 0.00 61.98 62.34 2if7 s VAL 140 Cb 0.48 -3.31 0.09 0.00 0.00 0.00 0.00 36.38 33.64 2if7 s VAL 140 CO 0.05 -0.31 0.55 -0.94 0.00 0.00 0.00 175.10 174.45 2if7 s SER 141 N -4.37 -0.74 0.26 3.32 1.04 -1.05 -5.00 113.70 107.16 2if7 s SER 141 Ca 0.56 1.26 0.06 0.00 0.48 0.00 0.00 55.95 58.31 2if7 s SER 141 Cb -0.11 1.45 -0.03 0.00 0.10 0.00 0.00 66.02 67.44 2if7 s SER 141 CO 0.45 -0.22 0.29 -0.36 0.98 0.00 0.00 173.24 174.38 2if7 s PHE 142 N 2.10 3.26 -0.05 5.02 0.40 -1.26 -1.86 117.98 125.59 2if7 s PHE 142 Ca -0.07 -0.08 -0.29 0.00 -0.60 0.00 0.00 56.93 55.88 2if7 s PHE 142 Cb -0.09 -1.53 0.07 0.00 0.51 0.00 0.00 43.02 41.97 2if7 s PHE 142 CO -0.16 0.44 0.65 -0.98 0.70 0.00 0.00 175.22 175.86 2if7 s ARG 143 N -3.93 1.02 -0.10 0.44 1.70 -0.61 -3.92 118.95 113.56 2if7 s ARG 143 Ca 0.34 0.24 -0.02 0.00 -0.47 0.00 0.00 55.73 55.83 2if7 s ARG 143 Cb -0.08 0.48 -0.03 0.00 -0.57 0.00 0.00 34.95 34.74 2if7 s ARG 143 CO 0.27 -0.31 -0.02 -1.58 -1.08 0.00 0.00 175.30 172.59 2if7 s TRP 144 N -1.16 3.10 0.01 5.89 0.52 0.19 -0.63 118.94 126.85 2if7 s TRP 144 Ca -0.11 0.07 0.02 0.00 0.02 0.00 0.00 56.10 56.11 2if7 s TRP 144 Cb -0.01 -1.81 -0.01 0.00 -1.15 0.00 0.00 33.47 30.49 2if7 s TRP 144 CO 0.09 0.35 -0.07 -1.21 0.02 0.00 0.00 176.95 176.13 2if7 s GLU 145 N -0.61 0.50 -0.02 4.98 2.02 0.18 -1.43 118.70 124.33 2if7 s GLU 145 Ca 0.10 -0.37 0.01 0.00 0.02 0.00 0.00 54.97 54.72 2if7 s GLU 145 Cb -0.12 -0.43 0.02 0.00 0.10 0.00 0.00 34.13 33.69 2if7 s GLU 145 CO 0.02 0.11 -0.02 0.00 0.02 0.00 0.00 175.26 175.39 2if7 s ALA 146 N -0.49 0.37 -1.63 5.21 0.00 0.29 -1.38 121.76 124.14 2if7 s ALA 146 Ca -0.01 0.01 -0.13 0.00 0.00 0.00 0.00 51.96 51.83 2if7 s ALA 146 Cb -0.04 -0.24 0.12 0.00 0.00 0.00 0.00 23.12 22.95 2if7 s ALA 146 CO 0.00 -0.00 0.67 1.28 0.00 0.00 0.00 175.76 177.70 2if7 n LEU 147 N 3.69 -1.79 -0.72 0.00 4.77 -1.26 0.40 117.00 122.09 2if7 n LEU 147 Ca -0.22 -1.02 -0.09 0.00 -0.03 0.00 0.00 56.01 54.65 2if7 n LEU 147 Cb 0.53 -2.09 -0.04 0.00 -2.33 0.00 0.00 43.42 39.49 2if7 n LEU 147 CO 0.24 0.33 -0.09 0.61 -1.33 0.00 0.00 177.39 177.15 2if7 n GLY 148 N -1.59 1.02 3.57 -0.72 0.00 -1.26 -4.99 105.19 101.22 2if7 n GLY 148 Ca -0.03 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 2if7 n GLY 148 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2if7 s ASN 149 N -2.54 4.54 -0.45 1.61 0.01 0.16 -5.09 114.94 113.18 2if7 s ASN 149 Ca 0.00 -0.12 -0.20 0.00 -0.71 0.00 0.00 52.86 51.83 2if7 s ASN 149 Cb 0.00 -1.06 0.03 0.00 0.41 0.00 0.00 41.25 40.63 2if7 s ASN 149 CO 0.00 0.31 0.60 -0.89 -1.51 0.00 0.00 177.10 175.61 2if7 s THR 150 N -0.91 4.89 0.04 1.60 2.01 -1.26 -0.55 115.64 121.46 2if7 s THR 150 Ca 0.15 -0.14 0.15 0.00 0.31 0.00 0.00 61.69 62.16 2if7 s THR 150 Cb -0.11 -4.20 0.04 0.00 0.01 0.00 0.00 72.50 68.25 2if7 s THR 150 CO 0.05 -0.62 1.54 -0.07 -0.69 0.00 0.00 174.62 174.83 2if7 h LEU 151 N 9.57 0.00 -7.00 4.42 4.07 -1.61 -3.47 115.31 121.29 2if7 h LEU 151 Ca -0.26 0.00 0.05 0.00 0.08 0.00 0.00 57.88 57.75 2if7 h LEU 151 Cb 1.10 0.00 -0.24 0.00 1.08 0.00 0.00 40.66 42.60 2if7 h LEU 151 CO 0.89 0.54 0.46 -0.55 -1.08 0.00 0.00 178.44 178.70 2if7 s SER 152 N -6.51 -0.44 -0.18 -0.43 0.15 -1.21 -4.97 113.70 100.10 2if7 s SER 152 Ca 0.02 0.64 0.17 0.00 0.70 0.00 0.00 55.95 57.47 2if7 s SER 152 Cb 0.10 0.57 0.55 0.00 -1.71 0.00 0.00 66.02 65.52 2if7 s SER 152 CO 0.73 -0.31 1.44 -1.20 1.20 0.00 0.00 173.24 175.11 2if7 n SER 153 N 1.32 4.00 -4.47 5.45 7.64 -1.26 -0.64 113.62 125.66 2if7 n SER 153 Ca -0.12 -3.01 -0.22 0.00 1.01 0.00 0.00 58.87 56.53 2if7 n SER 153 Cb 0.57 -0.55 -0.11 0.00 -1.01 0.00 0.00 64.21 63.11 2if7 n SER 153 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2if7 s GLN 154 N -2.81 1.69 0.36 1.43 0.00 -1.25 -4.45 119.66 114.62 2if7 s GLN 154 Ca 0.43 -1.93 0.25 0.00 -0.00 0.00 0.00 55.36 54.10 2if7 s GLN 154 Cb 0.35 -1.00 1.31 0.00 0.00 0.00 0.00 33.01 33.67 2if7 s GLN 154 CO 0.09 -0.15 1.76 -1.00 0.00 0.00 0.00 175.29 175.99 2if7 h PRO 155 N 2.08 0.00 -5.34 9.60 0.13 -1.85 -3.41 132.00 133.21 2if7 h PRO 155 Ca -0.41 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.09 2if7 h PRO 155 Cb 1.24 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.19 2if7 h PRO 155 CO 0.71 0.00 -0.61 -0.80 -0.23 0.00 0.00 178.00 177.07 2if7 s ASN 156 N -4.21 5.28 -0.06 1.44 0.01 -1.26 -0.83 114.94 115.31 2if7 s ASN 156 Ca -0.02 0.01 0.01 0.00 -0.71 0.00 0.00 52.86 52.15 2if7 s ASN 156 Cb 0.07 -1.86 0.02 0.00 0.41 0.00 0.00 41.25 39.89 2if7 s ASN 156 CO 0.25 0.19 -0.07 -0.22 -1.51 0.00 0.00 177.10 175.74 2if7 s LEU 157 N 0.26 1.38 -0.10 0.60 1.98 -0.32 -4.84 118.68 117.65 2if7 s LEU 157 Ca 0.01 -0.19 0.03 0.00 -2.89 0.00 0.00 54.13 51.08 2if7 s LEU 157 Cb -0.13 -0.59 0.01 0.00 0.66 0.00 0.00 46.19 46.13 2if7 s LEU 157 CO 0.01 -0.04 -0.18 0.42 -1.89 0.00 0.00 176.35 174.68 2if7 s THR 158 N 0.94 1.65 0.02 3.68 -4.23 -1.26 -0.08 115.64 116.37 2if7 s THR 158 Ca -0.10 -0.76 -0.05 0.00 -1.18 0.00 0.00 61.69 59.60 2if7 s THR 158 Cb -0.15 -1.47 -0.01 0.00 1.34 0.00 0.00 72.50 72.21 2if7 s THR 158 CO 0.00 0.47 0.07 0.68 -0.54 0.00 0.00 174.62 175.31 2if7 s VAL 159 N 0.69 0.11 0.14 2.29 -7.23 -0.98 -5.00 120.40 110.42 2if7 s VAL 159 Ca -0.12 -0.94 -0.21 0.00 -1.81 0.00 0.00 61.98 58.89 2if7 s VAL 159 Cb -0.16 -0.61 -0.07 0.00 0.56 0.00 0.00 36.38 36.09 2if7 s VAL 159 CO 0.03 -0.52 0.66 -0.44 -0.31 0.00 0.00 175.10 174.52 2if7 s SER 160 N -1.75 7.15 -0.12 4.85 0.01 -1.26 -1.82 113.70 120.76 2if7 s SER 160 Ca -0.10 1.40 -0.03 0.00 1.31 0.00 0.00 55.95 58.53 2if7 s SER 160 Cb -0.05 -2.41 0.04 0.00 0.21 0.00 0.00 66.02 63.81 2if7 s SER 160 CO -0.02 0.19 0.04 0.86 0.41 0.00 0.00 173.24 174.72 2if7 s TRP 161 N -1.23 0.55 -0.23 2.43 -0.00 0.25 -4.99 118.94 115.71 2if7 s TRP 161 Ca 0.35 -0.30 -0.05 0.00 -0.00 0.00 0.00 56.10 56.10 2if7 s TRP 161 Cb -0.20 -0.78 -0.02 0.00 -0.00 0.00 0.00 33.47 32.47 2if7 s TRP 161 CO 0.22 -0.41 0.01 0.34 -0.00 0.00 0.00 176.95 177.10 2if7 s ASP 162 N 2.01 4.74 0.65 5.86 -1.08 -1.26 -1.39 116.67 126.21 2if7 s ASP 162 Ca 0.03 -0.27 0.34 0.00 -0.52 0.00 0.00 52.55 52.13 2if7 s ASP 162 Cb -0.14 -1.83 1.88 0.00 -1.46 0.00 0.00 42.92 41.37 2if7 s ASP 162 CO -0.06 -0.00 2.10 -0.65 0.52 0.00 0.00 175.17 177.08 2if7 h PRO 163 N 7.99 0.00 -0.19 4.34 0.11 -1.90 -0.05 132.00 142.30 2if7 h PRO 163 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2if7 h PRO 163 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2if7 h PRO 163 CO 0.60 0.00 0.00 2.89 -0.21 0.00 0.00 178.00 181.28 2if7 n ARG 164 N -3.20 2.13 0.00 1.05 1.85 -1.26 -4.68 116.66 112.55 2if7 n ARG 164 Ca -0.01 -1.65 0.00 0.00 -1.00 0.00 0.00 57.85 55.18 2if7 n ARG 164 Cb 0.28 -1.19 0.00 0.00 -1.05 0.00 0.00 32.46 30.50 2if7 n ARG 164 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06 2if7 n ILE 165 N 0.32 0.00 -1.88 8.89 -5.35 -0.88 -5.08 119.36 115.38 2if7 n ILE 165 Ca 0.08 0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 62.14 2if7 n ILE 165 Cb 0.33 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.20 2if7 n ILE 165 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2if7 s SER 166 N -0.18 6.53 -0.08 7.28 0.01 -0.08 -4.93 113.70 122.25 2if7 s SER 166 Ca 0.00 2.69 -0.20 0.00 1.31 0.00 0.00 55.95 59.76 2if7 s SER 166 Cb 0.00 -2.60 -0.29 0.00 0.21 0.00 0.00 66.02 63.34 2if7 s SER 166 CO 0.00 -0.87 0.73 0.77 0.41 0.00 0.00 173.24 174.29 2if7 h SER 167 N 6.76 0.41 -4.23 2.44 4.64 -1.96 -3.46 113.55 118.15 2if7 h SER 167 Ca -0.43 -0.90 -0.50 0.00 -0.47 0.00 0.00 61.79 59.50 2if7 h SER 167 Cb 1.20 -0.13 0.07 0.00 -0.31 0.00 0.00 62.40 63.23 2if7 h SER 167 CO 0.92 1.48 0.38 -1.83 -0.87 0.00 0.00 176.83 176.91 2if7 s GLU 168 N -2.44 3.26 0.00 4.77 1.03 -1.26 -4.99 118.70 119.08 2if7 s GLU 168 Ca -0.17 1.13 0.00 0.00 0.03 0.00 0.00 54.97 55.96 2if7 s GLU 168 Cb 0.02 -2.03 0.00 0.00 -0.80 0.00 0.00 34.13 31.32 2if7 s GLU 168 CO 0.79 -0.85 0.36 1.04 -1.33 0.00 0.00 175.26 175.28 2if7 n GLN 169 N -2.27 0.50 -4.04 -4.83 1.13 -1.26 -5.03 117.38 101.57 2if7 n GLN 169 Ca 0.08 -0.36 -0.08 0.00 -1.94 0.00 0.00 57.00 54.70 2if7 n GLN 169 Cb 0.53 -0.85 -0.09 0.00 0.11 0.00 0.00 30.24 29.94 2if7 n GLN 169 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2if7 s ASP 170 N -0.18 0.35 -0.03 1.08 1.11 -1.26 -2.32 116.67 115.43 2if7 s ASP 170 Ca 0.00 -0.95 0.02 0.00 0.18 0.00 0.00 52.55 51.81 2if7 s ASP 170 Cb 0.00 0.26 0.00 0.00 1.07 0.00 0.00 42.92 44.25 2if7 s ASP 170 CO 0.00 -0.67 -0.09 -0.31 1.18 0.00 0.00 175.17 175.28 2if7 s TYR 171 N -3.93 0.94 -0.11 4.23 2.02 0.58 -4.75 117.35 116.33 2if7 s TYR 171 Ca 0.10 -0.24 0.02 0.00 -0.37 0.00 0.00 57.07 56.58 2if7 s TYR 171 Cb 0.07 -0.68 0.01 0.00 -0.40 0.00 0.00 41.96 40.97 2if7 s TYR 171 CO -0.08 -0.10 -0.16 0.99 -1.57 0.00 0.00 175.55 174.64 2if7 s THR 172 N 0.20 1.55 -0.11 -0.71 2.01 -0.48 0.15 115.64 118.24 2if7 s THR 172 Ca -0.03 -0.67 -0.12 0.00 0.31 0.00 0.00 61.69 61.18 2if7 s THR 172 Cb -0.09 -1.41 -0.05 0.00 0.01 0.00 0.00 72.50 70.97 2if7 s THR 172 CO 0.00 0.45 0.28 0.00 -0.69 0.00 0.00 174.62 174.66 2if7 s ILE 174 N -0.25 1.73 -0.11 0.00 1.01 0.19 -1.60 121.20 122.18 2if7 s ILE 174 Ca 0.17 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 60.08 2if7 s ILE 174 Cb -0.14 -1.57 -0.00 0.00 0.01 0.00 0.00 42.46 40.77 2if7 s ILE 174 CO 0.06 0.49 -0.22 0.00 0.00 0.00 0.00 174.94 175.27 2if7 s ALA 175 N 1.00 2.26 0.00 9.38 0.00 -0.50 -1.57 121.76 132.34 2if7 s ALA 175 Ca -0.05 -0.97 -0.11 0.00 0.00 0.00 0.00 51.96 50.83 2if7 s ALA 175 Cb -0.15 -0.90 0.01 0.00 0.00 0.00 0.00 23.12 22.08 2if7 s ALA 175 CO -0.03 0.25 0.23 -1.83 0.00 0.00 0.00 175.76 174.38 2if7 s GLU 176 N 0.39 0.60 0.22 0.00 -1.05 -0.78 -0.75 118.70 117.33 2if7 s GLU 176 Ca -0.16 -0.34 0.03 0.00 -0.15 0.00 0.00 54.97 54.34 2if7 s GLU 176 Cb -0.17 0.26 -0.01 0.00 -0.44 0.00 0.00 34.13 33.77 2if7 s GLU 176 CO 0.07 -0.16 0.09 0.27 0.95 0.00 0.00 175.26 176.49 2if7 n ASN 177 N 1.24 0.83 0.03 0.83 6.94 -0.69 -2.54 115.26 121.90 2if7 n ASN 177 Ca -0.22 -2.19 0.02 0.00 -0.02 0.00 0.00 54.58 52.17 2if7 n ASN 177 Cb 0.56 0.63 0.09 0.00 -2.36 0.00 0.00 39.78 38.70 2if7 n ASN 177 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2if7 n ALA 178 N -1.91 0.85 -1.36 -2.53 0.00 -1.26 -1.90 120.51 112.39 2if7 n ALA 178 Ca -0.08 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2if7 n ALA 178 Cb 0.33 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.89 2if7 n ALA 178 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2if7 n VAL 179 N -1.56 0.00 -3.92 0.00 0.24 -1.26 -5.04 118.33 106.80 2if7 n VAL 179 Ca -0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.20 2if7 n VAL 179 Cb 0.09 0.80 -0.10 0.00 -1.47 0.00 0.00 33.84 33.16 2if7 n VAL 179 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2if7 s SER 180 N -0.32 0.12 -0.27 -1.34 0.01 -0.80 -4.83 113.70 106.27 2if7 s SER 180 Ca 0.00 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 56.93 2if7 s SER 180 Cb 0.00 0.16 0.15 0.00 0.21 0.00 0.00 66.02 66.54 2if7 s SER 180 CO 0.00 -0.35 0.41 0.21 0.41 0.00 0.00 173.24 173.92 2if7 s ASN 181 N -1.44 0.23 0.28 2.44 3.84 -1.26 -1.71 114.94 117.31 2if7 s ASN 181 Ca -0.15 -0.09 0.11 0.00 0.21 0.00 0.00 52.86 52.94 2if7 s ASN 181 Cb -0.08 1.17 -0.05 0.00 -0.55 0.00 0.00 41.25 41.73 2if7 s ASN 181 CO 0.00 -0.33 -0.17 -0.76 -2.79 0.00 0.00 177.10 173.06 2if7 s LEU 182 N 2.56 2.60 -0.14 3.21 1.43 0.07 -4.99 118.68 123.42 2if7 s LEU 182 Ca 0.11 -1.06 -0.29 0.00 -1.03 0.00 0.00 54.13 51.87 2if7 s LEU 182 Cb -0.14 -0.99 0.07 0.00 0.03 0.00 0.00 46.19 45.16 2if7 s LEU 182 CO -0.24 -0.05 0.70 -0.94 0.23 0.00 0.00 176.35 176.04 2if7 s SER 183 N -3.49 -0.70 0.01 2.29 1.04 -1.26 -1.41 113.70 110.19 2if7 s SER 183 Ca 0.29 1.02 0.00 0.00 0.48 0.00 0.00 55.95 57.74 2if7 s SER 183 Cb -0.03 0.92 -0.01 0.00 0.10 0.00 0.00 66.02 67.00 2if7 s SER 183 CO 0.14 -0.46 -0.02 0.12 0.98 0.00 0.00 173.24 174.00 2if7 s PHE 184 N -0.55 0.16 0.08 5.02 2.19 -0.63 -5.00 117.98 119.25 2if7 s PHE 184 Ca -0.06 -0.25 0.03 0.00 0.33 0.00 0.00 56.93 56.98 2if7 s PHE 184 Cb -0.02 -0.11 -0.03 0.00 -1.31 0.00 0.00 43.02 41.55 2if7 s PHE 184 CO 0.06 -0.09 -0.10 -1.54 1.83 0.00 0.00 175.22 175.39 2if7 s SER 185 N -0.70 1.31 0.11 6.13 1.04 -1.26 -0.58 113.70 119.74 2if7 s SER 185 Ca -0.07 -0.73 0.05 0.00 0.48 0.00 0.00 55.95 55.67 2if7 s SER 185 Cb -0.05 0.01 -0.04 0.00 0.10 0.00 0.00 66.02 66.05 2if7 s SER 185 CO -0.00 -0.24 -0.11 0.68 0.98 0.00 0.00 173.24 174.55 2if7 s VAL 186 N -2.08 1.10 -0.30 5.02 -7.23 0.12 -4.96 120.40 112.06 2if7 s VAL 186 Ca 0.01 -1.70 -0.08 0.00 -1.81 0.00 0.00 61.98 58.40 2if7 s VAL 186 Cb -0.05 -1.46 0.00 0.00 0.56 0.00 0.00 36.38 35.43 2if7 s VAL 186 CO 0.00 -0.52 0.10 -0.55 -0.31 0.00 0.00 175.10 173.82 2if7 s SER 187 N -2.51 5.26 0.23 4.85 0.15 -1.26 -0.31 113.70 120.11 2if7 s SER 187 Ca 0.08 -0.65 -0.09 0.00 0.70 0.00 0.00 55.95 55.99 2if7 s SER 187 Cb -0.03 -1.92 0.36 0.00 -1.71 0.00 0.00 66.02 62.71 2if7 s SER 187 CO 0.01 -0.19 1.65 0.00 1.20 0.00 0.00 173.24 175.90 2if7 h ALA 188 N 8.27 0.67 0.00 5.45 0.00 -1.81 0.95 119.26 132.80 2if7 h ALA 188 Ca -0.32 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2if7 h ALA 188 Cb 1.13 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2if7 h ALA 188 CO 0.61 -0.41 0.00 0.94 0.00 0.00 0.00 179.25 180.39 2if7 n GLN 189 N -5.33 0.05 -0.06 0.00 7.27 -1.26 -1.19 117.38 116.87 2if7 n GLN 189 Ca 0.11 0.30 -0.08 0.00 0.07 0.00 0.00 57.00 57.40 2if7 n GLN 189 Cb 0.41 -1.50 -0.06 0.00 2.41 0.00 0.00 30.24 31.50 2if7 n GLN 189 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 2if7 n LYS 190 N -1.38 0.70 0.24 3.69 5.02 -0.18 -4.53 118.16 121.72 2if7 n LYS 190 Ca 0.02 0.06 0.16 0.00 -2.02 0.00 0.00 58.31 56.53 2if7 n LYS 190 Cb 0.06 -1.25 0.58 0.00 -0.02 0.00 0.00 35.03 34.40 2if7 n LYS 190 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2if7 h LEU 191 N 0.00 0.00 -5.02 -0.35 3.38 -0.32 -3.23 115.31 109.77 2if7 h LEU 191 Ca -0.27 0.00 -0.75 0.00 0.09 0.00 0.00 57.88 56.95 2if7 h LEU 191 Cb 1.45 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.91 2if7 h LEU 191 CO -0.03 0.00 0.83 0.00 0.09 0.00 0.00 178.44 179.33