#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2if7 n PRO 5 N 0.00 0.31 -3.94 -0.78 -0.04 -1.26 -5.06 135.00 124.23 2if7 n PRO 5 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 2if7 n PRO 5 Cb 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.33 2if7 n PRO 5 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2if7 s LEU 6 N 0.00 2.07 0.07 1.53 2.01 0.19 -4.96 118.68 119.59 2if7 s LEU 6 Ca 0.00 -0.15 -0.12 0.00 0.01 0.00 0.00 54.13 53.87 2if7 s LEU 6 Cb 0.00 -0.02 -0.06 0.00 0.01 0.00 0.00 46.19 46.13 2if7 s LEU 6 CO 0.00 -0.07 0.43 -0.32 1.01 0.00 0.00 176.35 177.40 2if7 s MET 7 N -0.41 3.84 -0.08 1.70 -2.45 -1.26 -1.12 119.30 119.52 2if7 s MET 7 Ca -0.04 0.29 -0.11 0.00 -1.25 0.00 0.00 55.69 54.58 2if7 s MET 7 Cb -0.03 -3.05 0.02 0.00 1.25 0.00 0.00 34.83 33.03 2if7 s MET 7 CO -0.00 0.58 0.28 0.14 1.05 0.00 0.00 175.02 177.07 2if7 s VAL 8 N -1.32 0.02 0.50 10.11 -7.23 -1.12 -4.92 120.40 116.44 2if7 s VAL 8 Ca 0.31 -0.18 0.04 0.00 -1.81 0.00 0.00 61.98 60.35 2if7 s VAL 8 Cb -0.15 -0.45 -0.00 0.00 0.56 0.00 0.00 36.38 36.34 2if7 s VAL 8 CO 0.17 -0.10 0.21 0.20 -0.31 0.00 0.00 175.10 175.27 2if7 s ASN 9 N -0.33 4.40 -0.30 4.85 0.01 -1.26 -2.41 114.94 119.89 2if7 s ASN 9 Ca -0.05 -1.36 -0.20 0.00 -0.71 0.00 0.00 52.86 50.55 2if7 s ASN 9 Cb -0.03 0.25 0.20 0.00 0.41 0.00 0.00 41.25 42.08 2if7 s ASN 9 CO 0.01 -0.89 1.31 -0.83 -1.51 0.00 0.00 177.10 175.20 2if7 s GLY 10 N -4.05 0.48 0.06 0.66 0.00 -1.17 -4.93 107.32 98.37 2if7 s GLY 10 Ca 0.25 3.66 -0.28 0.00 0.00 0.00 0.00 44.72 48.36 2if7 s GLY 10 CO 0.15 2.43 0.89 -0.26 0.00 0.00 0.00 173.10 176.30 2if7 s ILE 11 N 0.65 4.68 0.63 0.90 -4.36 -1.26 -2.04 121.20 120.41 2if7 s ILE 11 Ca -0.02 1.89 -0.19 0.00 -0.26 0.00 0.00 60.65 62.08 2if7 s ILE 11 Cb -0.03 -4.24 -0.02 0.00 1.25 0.00 0.00 42.46 39.42 2if7 s ILE 11 CO -0.12 0.29 1.28 0.00 0.24 0.00 0.00 174.94 176.63 2if7 n LEU 12 N 3.09 5.77 -1.01 0.37 -0.00 -1.18 -2.99 117.00 121.05 2if7 n LEU 12 Ca 0.01 0.85 -0.08 0.00 -0.00 0.00 0.00 56.01 56.79 2if7 n LEU 12 Cb 0.50 -1.55 -0.00 0.00 -0.00 0.00 0.00 43.42 42.37 2if7 n LEU 12 CO 0.50 -1.01 -0.09 0.61 -0.00 0.00 0.00 177.39 177.40 2if7 n GLY 13 N 0.93 0.06 3.63 1.47 0.00 1.04 -4.93 105.19 107.40 2if7 n GLY 13 Ca 0.15 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 2if7 n GLY 13 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2if7 s GLU 14 N -4.51 0.58 0.68 1.61 -6.30 0.16 -4.83 118.70 106.09 2if7 s GLU 14 Ca 0.02 0.66 -0.07 0.00 -2.50 0.00 0.00 54.97 53.08 2if7 s GLU 14 Cb -0.01 0.28 0.05 0.00 0.00 0.00 0.00 34.13 34.45 2if7 s GLU 14 CO 0.03 -0.08 1.00 -1.54 0.02 0.00 0.00 175.26 174.69 2if7 s SER 15 N 0.20 5.01 -0.08 -1.70 1.04 -1.04 -4.34 113.70 112.80 2if7 s SER 15 Ca 0.02 0.57 -0.21 0.00 0.48 0.00 0.00 55.95 56.81 2if7 s SER 15 Cb -0.05 -1.30 0.05 0.00 0.10 0.00 0.00 66.02 64.82 2if7 s SER 15 CO -0.04 -1.48 0.50 0.54 0.98 0.00 0.00 173.24 173.73 2if7 s VAL 16 N -3.21 0.02 -0.04 5.02 0.11 -1.25 -4.96 120.40 116.09 2if7 s VAL 16 Ca 0.59 -0.18 0.06 0.00 -2.93 0.00 0.00 61.98 59.51 2if7 s VAL 16 Cb -0.11 -0.78 -0.01 0.00 -1.53 0.00 0.00 36.38 33.95 2if7 s VAL 16 CO 0.45 -0.10 -0.21 -0.89 -3.33 0.00 0.00 175.10 171.03 2if7 s THR 17 N -0.85 1.69 -0.20 5.04 2.01 -1.26 -1.33 115.64 120.74 2if7 s THR 17 Ca -0.09 -0.88 -0.06 0.00 0.31 0.00 0.00 61.69 60.98 2if7 s THR 17 Cb -0.03 -1.43 -0.03 0.00 0.01 0.00 0.00 72.50 71.02 2if7 s THR 17 CO 0.05 0.48 0.01 -0.76 -0.69 0.00 0.00 174.62 173.72 2if7 s LEU 18 N -0.18 3.34 0.00 4.42 1.43 0.36 -4.96 118.68 123.08 2if7 s LEU 18 Ca -0.00 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 2if7 s LEU 18 Cb -0.11 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.26 2if7 s LEU 18 CO 0.02 0.07 0.00 -2.65 0.23 0.00 0.00 176.35 174.01 2if7 n PRO 19 N 4.24 -0.20 -3.71 1.29 -0.02 -1.26 -1.60 135.00 133.73 2if7 n PRO 19 Ca -0.17 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.35 2if7 n PRO 19 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 2if7 n PRO 19 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 2if7 s LEU 20 N 0.00 -0.01 0.14 2.45 0.05 -1.26 -4.75 118.68 115.30 2if7 s LEU 20 Ca 0.00 -0.04 -0.20 0.00 0.05 0.00 0.00 54.13 53.94 2if7 s LEU 20 Cb 0.00 1.08 -0.07 0.00 -2.05 0.00 0.00 46.19 45.15 2if7 s LEU 20 CO 0.00 -0.07 0.65 -0.70 -0.55 0.00 0.00 176.35 175.68 2if7 s GLU 21 N -2.06 4.28 0.00 1.48 2.12 -1.26 -5.05 118.70 118.21 2if7 s GLU 21 Ca 0.20 0.84 0.00 0.00 0.36 0.00 0.00 54.97 56.37 2if7 s GLU 21 Cb 0.05 -3.12 0.00 0.00 0.26 0.00 0.00 34.13 31.32 2if7 s GLU 21 CO -0.05 0.55 0.00 0.34 -0.54 0.00 0.00 175.26 175.56 2if7 n PHE 22 N 1.35 0.00 -0.06 5.30 7.35 -1.26 -4.88 117.46 125.26 2if7 n PHE 22 Ca -0.07 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.61 2if7 n PHE 22 Cb 0.50 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.32 2if7 n PHE 22 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 2if7 h PRO 23 N 0.00 -0.01 0.00 -7.13 0.10 -1.96 -3.44 132.00 119.56 2if7 h PRO 23 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.10 2if7 h PRO 23 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 31.00 31.10 2if7 h PRO 23 CO 0.00 -0.00 0.00 0.00 0.10 0.00 0.00 178.00 178.10 2if7 n ALA 24 N -3.00 0.00 0.00 -0.75 0.00 -1.26 -3.97 120.51 111.53 2if7 n ALA 24 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2if7 n ALA 24 Cb 0.04 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 -2.00 1.87 3.96 0.00 0.00 -1.26 -5.00 105.19 102.76 2if7 n GLY 25 Ca 0.00 -0.58 -0.22 0.00 0.00 0.00 0.00 46.02 45.22 2if7 n GLY 25 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2if7 s GLU 26 N 0.00 3.04 0.46 1.61 -1.05 -1.25 -5.08 118.70 116.43 2if7 s GLU 26 Ca 0.00 -0.65 -0.22 0.00 -0.15 0.00 0.00 54.97 53.96 2if7 s GLU 26 Cb 0.00 -2.62 -0.08 0.00 -0.44 0.00 0.00 34.13 30.99 2if7 s GLU 26 CO 0.00 -0.21 1.07 -1.59 0.95 0.00 0.00 175.26 175.48 2if7 s LYS 27 N -4.47 3.85 -0.07 -4.83 -2.85 -1.26 -4.98 119.74 105.13 2if7 s LYS 27 Ca 0.48 1.50 -0.01 0.00 -1.00 0.00 0.00 55.97 56.93 2if7 s LYS 27 Cb -0.10 -2.26 -0.03 0.00 -2.06 0.00 0.00 37.83 33.38 2if7 s LYS 27 CO 0.36 -0.41 0.01 0.54 0.10 0.00 0.00 175.35 175.95 2if7 s VAL 28 N -1.79 4.34 -0.18 1.79 0.11 -1.26 -4.46 120.40 118.93 2if7 s VAL 28 Ca 0.65 -0.29 -0.17 0.00 -2.93 0.00 0.00 61.98 59.23 2if7 s VAL 28 Cb -0.21 -2.84 -0.06 0.00 -1.53 0.00 0.00 36.38 31.74 2if7 s VAL 28 CO 0.25 0.56 -0.33 0.59 -3.33 0.00 0.00 175.10 172.84 2if7 n ASN 29 N 2.00 1.93 -4.25 3.54 5.03 -0.71 -4.93 115.26 117.87 2if7 n ASN 29 Ca -0.18 0.36 -0.14 0.00 0.87 0.00 0.00 54.58 55.49 2if7 n ASN 29 Cb 0.53 -0.76 -0.10 0.00 -1.02 0.00 0.00 39.78 38.44 2if7 n ASN 29 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 2if7 s PHE 30 N -2.82 1.27 -0.09 3.10 0.08 -1.16 -4.12 117.98 114.25 2if7 s PHE 30 Ca -0.28 -1.06 -0.04 0.00 0.12 0.00 0.00 56.93 55.67 2if7 s PHE 30 Cb 0.05 -0.73 0.05 0.00 -0.57 0.00 0.00 43.02 41.82 2if7 s PHE 30 CO 0.42 -0.25 0.19 -1.50 -0.10 0.00 0.00 175.22 173.98 2if7 s ILE 31 N -3.69 -0.20 -0.08 0.64 2.07 -0.40 -1.92 121.20 117.63 2if7 s ILE 31 Ca 0.27 0.26 0.04 0.00 -1.41 0.00 0.00 60.65 59.81 2if7 s ILE 31 Cb 0.06 -0.32 -0.02 0.00 0.13 0.00 0.00 42.46 42.32 2if7 s ILE 31 CO 0.06 0.11 -0.19 -0.89 -1.91 0.00 0.00 174.94 172.12 2if7 s THR 32 N 1.85 2.55 -0.26 4.00 2.01 -1.00 -1.05 115.64 123.75 2if7 s THR 32 Ca -0.03 -0.88 -0.08 0.00 0.31 0.00 0.00 61.69 61.01 2if7 s THR 32 Cb -0.12 -1.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.37 2if7 s THR 32 CO -0.07 0.56 0.11 0.26 -0.69 0.00 0.00 174.62 174.79 2if7 s TRP 33 N -0.16 3.13 0.08 4.92 0.52 0.20 -0.97 118.94 126.66 2if7 s TRP 33 Ca -0.02 -0.25 0.05 0.00 0.02 0.00 0.00 56.10 55.91 2if7 s TRP 33 Cb -0.14 -2.27 -0.04 0.00 -1.15 0.00 0.00 33.47 29.87 2if7 s TRP 33 CO 0.04 -0.28 -0.05 -0.51 0.02 0.00 0.00 176.95 176.16 2if7 s LEU 34 N 1.62 3.24 -0.24 2.99 1.43 -0.59 -0.53 118.68 126.59 2if7 s LEU 34 Ca 0.06 -0.26 -0.03 0.00 -1.03 0.00 0.00 54.13 52.88 2if7 s LEU 34 Cb -0.15 -1.98 0.08 0.00 0.03 0.00 0.00 46.19 44.17 2if7 s LEU 34 CO 0.06 0.20 0.07 0.12 0.23 0.00 0.00 176.35 177.02 2if7 s PHE 35 N -1.21 1.08 0.00 0.29 5.36 -0.06 -2.09 117.98 121.36 2if7 s PHE 35 Ca 0.22 -1.07 0.00 0.00 -0.96 0.00 0.00 56.93 55.12 2if7 s PHE 35 Cb -0.11 -1.18 0.00 0.00 -0.34 0.00 0.00 43.02 41.39 2if7 s PHE 35 CO 0.14 -0.71 0.00 0.09 -1.46 0.00 0.00 175.22 173.29 2if7 n ASN 36 N 5.03 0.00 0.08 6.13 3.02 -0.20 -0.97 115.26 128.35 2if7 n ASN 36 Ca -0.07 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.60 2if7 n ASN 36 Cb 0.45 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.66 2if7 n ASN 36 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2if7 n GLU 37 N 1.05 0.50 -3.09 3.52 4.71 -1.26 -4.97 120.64 121.10 2if7 n GLU 37 Ca 0.00 0.09 -0.20 0.00 -0.01 0.00 0.00 57.16 57.05 2if7 n GLU 37 Cb 0.00 -1.76 0.05 0.00 -1.01 0.00 0.00 31.44 28.71 2if7 n GLU 37 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 2if7 s THR 38 N -3.31 2.27 -0.51 2.62 -4.23 -0.15 -5.09 115.64 107.25 2if7 s THR 38 Ca 0.01 -1.03 0.04 0.00 -1.18 0.00 0.00 61.69 59.52 2if7 s THR 38 Cb 0.11 -2.30 0.13 0.00 1.34 0.00 0.00 72.50 71.78 2if7 s THR 38 CO 0.78 0.00 0.26 -0.55 -0.54 0.00 0.00 174.62 174.57 2if7 s SER 39 N -4.58 4.19 0.11 3.99 0.15 -1.26 -0.88 113.70 115.41 2if7 s SER 39 Ca 0.59 -2.96 -0.22 0.00 0.70 0.00 0.00 55.95 54.05 2if7 s SER 39 Cb -0.06 -1.52 -0.06 0.00 -1.71 0.00 0.00 66.02 62.67 2if7 s SER 39 CO 0.37 -0.23 1.39 -0.07 1.20 0.00 0.00 173.24 175.89 2if7 h LEU 40 N 6.51 -1.49 -7.79 3.45 3.38 -1.11 -3.20 115.31 115.05 2if7 h LEU 40 Ca -0.06 0.22 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 2if7 h LEU 40 Cb 0.89 0.65 -0.19 0.00 0.09 0.00 0.00 40.66 42.10 2if7 h LEU 40 CO 0.65 -0.20 -0.49 0.00 0.09 0.00 0.00 178.44 178.49 2if7 s ALA 41 N -5.07 -0.25 -0.10 1.53 0.00 -0.67 0.68 121.76 117.87 2if7 s ALA 41 Ca -0.09 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.60 2if7 s ALA 41 Cb 0.07 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.38 2if7 s ALA 41 CO 0.44 -0.26 -0.11 0.12 0.00 0.00 0.00 175.76 175.95 2if7 s PHE 42 N -1.86 1.67 0.01 0.00 5.36 -0.71 0.59 117.98 123.03 2if7 s PHE 42 Ca -0.11 -0.78 0.03 0.00 -0.96 0.00 0.00 56.93 55.10 2if7 s PHE 42 Cb -0.05 -1.27 -0.01 0.00 -0.34 0.00 0.00 43.02 41.34 2if7 s PHE 42 CO -0.01 -0.46 -0.08 0.96 -1.46 0.00 0.00 175.22 174.17 2if7 s ILE 43 N 1.23 0.63 -0.18 3.12 -4.36 -0.21 -1.18 121.20 120.24 2if7 s ILE 43 Ca -0.03 -0.52 -0.01 0.00 -0.26 0.00 0.00 60.65 59.82 2if7 s ILE 43 Cb -0.14 -0.56 -0.00 0.00 1.25 0.00 0.00 42.46 43.00 2if7 s ILE 43 CO -0.04 0.05 -0.12 0.54 0.24 0.00 0.00 174.94 175.62 2if7 s VAL 44 N -0.46 2.87 0.28 8.37 0.11 -1.03 -1.27 120.40 129.28 2if7 s VAL 44 Ca 0.00 -0.68 -0.30 0.00 -2.93 0.00 0.00 61.98 58.07 2if7 s VAL 44 Cb -0.05 -2.25 -0.12 0.00 -1.53 0.00 0.00 36.38 32.43 2if7 s VAL 44 CO 0.00 0.49 1.58 -0.81 -3.33 0.00 0.00 175.10 173.02 2if7 n PRO 45 N 4.40 2.63 -3.37 1.54 -0.04 -1.26 -2.62 135.00 136.28 2if7 n PRO 45 Ca -0.19 0.93 -0.16 0.00 -0.04 0.00 0.00 63.50 64.05 2if7 n PRO 45 Cb 0.51 -2.71 -0.08 0.00 -0.04 0.00 0.00 33.50 31.18 2if7 n PRO 45 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2if7 s HIS 46 N 0.02 -0.49 -0.07 0.54 3.76 -1.26 -4.95 115.29 112.84 2if7 s HIS 46 Ca 0.65 -0.38 -0.30 0.00 -0.15 0.00 0.00 55.06 54.88 2if7 s HIS 46 Cb -0.51 -0.38 -0.03 0.00 1.11 0.00 0.00 32.58 32.76 2if7 s HIS 46 CO 0.48 -0.96 1.21 -1.21 -0.85 0.00 0.00 174.74 173.42 2if7 s GLU 47 N 1.98 4.33 -0.10 1.40 0.41 -1.26 -1.47 118.70 124.00 2if7 s GLU 47 Ca 0.13 1.67 0.13 0.00 -0.41 0.00 0.00 54.97 56.49 2if7 s GLU 47 Cb -0.14 -3.59 0.26 0.00 -1.78 0.00 0.00 34.13 28.88 2if7 s GLU 47 CO -0.19 -0.49 1.17 0.25 -0.49 0.00 0.00 175.26 175.51 2if7 n THR 48 N 4.72 1.67 -0.24 3.63 -2.24 -1.26 -4.94 114.28 115.62 2if7 n THR 48 Ca 0.11 -1.78 0.00 0.00 -2.27 0.00 0.00 64.05 60.11 2if7 n THR 48 Cb 0.46 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 2if7 n THR 48 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2if7 n LYS 49 N -0.88 0.72 -1.41 -0.78 2.85 -0.54 -4.91 118.16 113.20 2if7 n LYS 49 Ca 0.13 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 57.06 2if7 n LYS 49 Cb 0.57 -1.14 0.09 0.00 -0.65 0.00 0.00 35.03 33.89 2if7 n LYS 49 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2if7 s SER 50 N 1.89 4.41 0.00 -5.58 1.04 -0.69 -4.81 113.70 109.96 2if7 s SER 50 Ca 0.00 2.09 0.00 0.00 0.48 0.00 0.00 55.95 58.52 2if7 s SER 50 Cb 0.00 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.56 2if7 s SER 50 CO 0.00 -2.10 0.00 -0.81 0.98 0.00 0.00 173.24 171.31 2if7 n PRO 51 N -2.99 3.95 -3.78 4.02 -0.04 -1.26 -5.05 135.00 129.85 2if7 n PRO 51 Ca 0.11 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.29 2if7 n PRO 51 Cb 0.52 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.85 2if7 n PRO 51 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2if7 s GLU 52 N 2.82 1.80 -0.07 0.54 0.41 -1.08 -4.92 118.70 118.21 2if7 s GLU 52 Ca 0.00 -2.65 -0.04 0.00 -0.41 0.00 0.00 54.97 51.87 2if7 s GLU 52 Cb 0.00 -2.79 -0.04 0.00 -1.78 0.00 0.00 34.13 29.52 2if7 s GLU 52 CO 0.00 -1.23 0.11 -1.50 -0.49 0.00 0.00 175.26 172.15 2if7 s ILE 53 N -0.50 5.13 -0.15 -1.63 2.07 -1.26 -2.47 121.20 122.39 2if7 s ILE 53 Ca 0.23 -0.08 -0.04 0.00 -1.41 0.00 0.00 60.65 59.35 2if7 s ILE 53 Cb -0.13 -3.28 0.06 0.00 0.13 0.00 0.00 42.46 39.24 2if7 s ILE 53 CO -0.09 0.50 0.13 -1.00 -1.91 0.00 0.00 174.94 172.57 2if7 s HIS 54 N -1.10 -0.02 -0.17 3.50 3.76 -0.32 -5.02 115.29 115.92 2if7 s HIS 54 Ca 0.19 0.07 -0.29 0.00 -0.15 0.00 0.00 55.06 54.88 2if7 s HIS 54 Cb -0.12 -0.50 -0.03 0.00 1.11 0.00 0.00 32.58 33.05 2if7 s HIS 54 CO 0.09 -0.45 1.46 0.08 -0.85 0.00 0.00 174.74 175.07 2if7 s VAL 55 N 2.22 3.94 -1.17 -0.90 1.01 -1.26 -1.74 120.40 122.50 2if7 s VAL 55 Ca 0.04 1.11 0.26 0.00 0.00 0.00 0.00 61.98 63.38 2if7 s VAL 55 Cb -0.15 -3.80 0.11 0.00 0.00 0.00 0.00 36.38 32.54 2if7 s VAL 55 CO -0.08 -0.20 1.54 0.41 0.00 0.00 0.00 175.10 176.77 2if7 n THR 56 N 5.76 0.00 -3.67 3.92 -1.04 0.22 -4.34 114.28 115.12 2if7 n THR 56 Ca 0.16 -0.02 -0.28 0.00 -2.04 0.00 0.00 64.05 61.87 2if7 n THR 56 Cb 0.45 0.15 -0.11 0.00 -1.82 0.00 0.00 70.33 68.99 2if7 n THR 56 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2if7 s ASN 57 N -2.88 3.31 0.16 8.00 3.84 -0.34 -4.79 114.94 122.25 2if7 s ASN 57 Ca 0.15 -3.51 -0.12 0.00 0.21 0.00 0.00 52.86 49.59 2if7 s ASN 57 Cb 0.18 -1.10 0.17 0.00 -0.55 0.00 0.00 41.25 39.96 2if7 s ASN 57 CO 0.63 -0.12 1.07 -2.65 -2.79 0.00 0.00 177.10 173.24 2if7 n PRO 58 N 2.36 -0.16 -1.35 0.43 -0.02 -1.26 -4.57 135.00 130.43 2if7 n PRO 58 Ca 0.24 1.07 -0.51 0.00 -2.02 0.00 0.00 63.50 62.28 2if7 n PRO 58 Cb 0.41 -1.58 -0.06 0.00 -0.02 0.00 0.00 33.50 32.25 2if7 n PRO 58 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2if7 n LYS 59 N -5.03 0.00 0.00 -0.52 4.81 -1.26 -2.03 118.16 114.13 2if7 n LYS 59 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 2if7 n LYS 59 Cb 0.28 -1.20 0.00 0.00 0.02 0.00 0.00 35.03 34.13 2if7 n LYS 59 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2if7 n GLN 60 N 1.20 0.00 0.00 1.64 6.02 -1.26 -5.03 117.38 119.95 2if7 n GLN 60 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 2if7 n GLN 60 Cb 0.13 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.39 2if7 n GLN 60 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2if7 n GLY 61 N 0.00 1.23 0.00 1.08 0.00 -0.86 -3.38 105.19 103.26 2if7 n GLY 61 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2if7 n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2if7 n LYS 62 N 12.58 0.00 0.11 1.61 5.02 -1.26 -0.19 118.16 136.03 2if7 n LYS 62 Ca 0.00 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.38 2if7 n LYS 62 Cb 0.00 -1.04 0.01 0.00 -0.02 0.00 0.00 35.03 33.99 2if7 n LYS 62 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 2if7 h ARG 63 N 0.00 0.00 -6.07 1.97 1.12 -1.97 -3.45 114.38 105.98 2if7 h ARG 63 Ca 0.00 0.00 -0.63 0.00 -1.11 0.00 0.00 59.98 58.24 2if7 h ARG 63 Cb 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 29.97 29.66 2if7 h ARG 63 CO 0.00 0.07 -0.86 -0.48 -3.11 0.00 0.00 179.97 175.58 2if7 s LEU 64 N -5.61 2.03 0.00 3.80 0.05 0.73 -0.93 118.68 118.75 2if7 s LEU 64 Ca 0.00 -0.41 0.06 0.00 0.05 0.00 0.00 54.13 53.83 2if7 s LEU 64 Cb 0.09 -1.15 -0.02 0.00 -2.05 0.00 0.00 46.19 43.05 2if7 s LEU 64 CO 0.77 0.26 0.22 0.59 -0.55 0.00 0.00 176.35 177.64 2if7 n ASN 65 N 2.65 -0.24 -3.97 1.48 3.02 0.30 -4.83 115.26 113.67 2if7 n ASN 65 Ca -0.16 -2.86 -0.19 0.00 -0.03 0.00 0.00 54.58 51.34 2if7 n ASN 65 Cb 0.52 1.31 -0.15 0.00 -0.61 0.00 0.00 39.78 40.85 2if7 n ASN 65 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2if7 s PHE 66 N -3.09 0.78 0.26 3.10 0.08 -1.26 -0.72 117.98 117.13 2if7 s PHE 66 Ca 0.31 -0.19 -0.04 0.00 0.12 0.00 0.00 56.93 57.13 2if7 s PHE 66 Cb 0.01 -0.58 0.06 0.00 -0.57 0.00 0.00 43.02 41.95 2if7 s PHE 66 CO 0.22 -0.09 0.23 0.25 -0.10 0.00 0.00 175.22 175.72 2if7 n THR 67 N 3.34 0.00 0.11 0.64 -2.24 -0.99 -4.91 114.28 110.24 2if7 n THR 67 Ca -0.18 -0.10 0.02 0.00 -2.27 0.00 0.00 64.05 61.52 2if7 n THR 67 Cb 0.55 -1.01 -0.01 0.00 -2.10 0.00 0.00 70.33 67.76 2if7 n THR 67 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2if7 h GLN 68 N 0.00 0.00 0.00 -0.78 7.50 -2.00 -2.99 115.11 116.84 2if7 h GLN 68 Ca -0.09 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.06 2if7 h GLN 68 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.79 2if7 h GLN 68 CO 0.06 0.45 0.00 0.43 -1.50 0.00 0.00 178.83 178.26 2if7 n SER 69 N -3.13 0.00 0.00 1.46 7.64 -1.26 -4.82 113.62 113.51 2if7 n SER 69 Ca -0.01 -0.99 0.00 0.00 1.01 0.00 0.00 58.87 58.88 2if7 n SER 69 Cb 0.76 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.96 2if7 n SER 69 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2if7 n TYR 70 N -0.74 0.00 -1.03 1.43 4.01 -1.13 -4.94 117.16 114.76 2if7 n TYR 70 Ca 0.07 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.50 2if7 n TYR 70 Cb 0.03 -0.38 0.13 0.00 -0.31 0.00 0.00 39.34 38.82 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 -2.95 3.65 -0.09 7.72 0.01 -1.26 -4.73 113.70 116.05 2if7 s SER 71 Ca 0.00 2.14 -0.21 0.00 1.31 0.00 0.00 55.95 59.19 2if7 s SER 71 Cb 0.00 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 2if7 s SER 71 CO 0.00 -2.62 0.59 -0.22 0.41 0.00 0.00 173.24 171.40 2if7 s LEU 72 N -6.06 4.30 -0.01 2.44 2.96 -0.63 -2.35 118.68 119.33 2if7 s LEU 72 Ca 0.67 1.01 0.06 0.00 -0.22 0.00 0.00 54.13 55.65 2if7 s LEU 72 Cb -0.23 -2.90 -0.02 0.00 0.50 0.00 0.00 46.19 43.55 2if7 s LEU 72 CO 0.54 -0.06 -0.19 -1.58 -1.32 0.00 0.00 176.35 173.73 2if7 s GLN 73 N 0.73 1.55 0.44 1.98 0.74 0.10 0.13 119.66 125.33 2if7 s GLN 73 Ca 0.32 -0.72 0.03 0.00 0.05 0.00 0.00 55.36 55.05 2if7 s GLN 73 Cb -0.16 -1.51 -0.04 0.00 1.10 0.00 0.00 33.01 32.40 2if7 s GLN 73 CO 0.14 0.41 0.05 -1.17 -0.55 0.00 0.00 175.29 174.17 2if7 s LEU 74 N -0.53 2.29 0.00 3.68 1.98 -0.44 -0.54 118.68 125.12 2if7 s LEU 74 Ca 0.07 -1.57 0.00 0.00 -2.89 0.00 0.00 54.13 49.74 2if7 s LEU 74 Cb -0.08 -0.52 0.00 0.00 0.66 0.00 0.00 46.19 46.25 2if7 s LEU 74 CO -0.00 -0.77 0.00 -1.20 -1.89 0.00 0.00 176.35 172.48 2if7 n SER 75 N -1.14 0.00 0.01 3.68 7.64 -0.11 -3.85 113.62 119.85 2if7 n SER 75 Ca -0.10 0.00 0.22 0.00 1.01 0.00 0.00 58.87 59.99 2if7 n SER 75 Cb 0.66 0.00 0.58 0.00 -1.01 0.00 0.00 64.21 64.45 2if7 n SER 75 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2if7 h ASN 76 N 0.00 0.00 -4.48 6.43 -1.07 -1.84 -2.76 115.58 111.86 2if7 h ASN 76 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2if7 h ASN 76 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2if7 h ASN 76 CO 0.00 0.00 -0.58 0.18 0.07 0.00 0.00 177.43 177.10 2if7 n LEU 77 N -3.36 -6.11 -4.73 6.14 4.77 -1.26 0.34 117.00 112.79 2if7 n LEU 77 Ca 0.12 0.81 -0.41 0.00 -0.03 0.00 0.00 56.01 56.50 2if7 n LEU 77 Cb 0.99 -2.62 -0.03 0.00 -2.33 0.00 0.00 43.42 39.43 2if7 n LEU 77 CO 0.23 -2.04 0.89 -0.54 -1.33 0.00 0.00 177.39 174.60 2if7 s LYS 78 N -1.39 4.47 0.51 3.23 1.02 -1.26 -3.10 119.74 123.22 2if7 s LYS 78 Ca 0.05 1.88 0.14 0.00 0.02 0.00 0.00 55.97 58.05 2if7 s LYS 78 Cb -0.01 -3.25 0.74 0.00 -0.52 0.00 0.00 37.83 34.78 2if7 s LYS 78 CO 0.53 -0.13 1.34 1.98 -0.92 0.00 0.00 175.35 178.16 2if7 h MET 79 N 5.49 0.00 0.00 1.68 1.85 -1.97 -1.63 114.93 120.35 2if7 h MET 79 Ca -0.44 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.65 2if7 h MET 79 Cb 1.21 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.24 2if7 h MET 79 CO 0.76 0.00 0.00 -0.85 -0.40 0.00 0.00 176.91 176.42 2if7 n GLU 80 N -2.37 0.74 0.00 0.39 0.28 -1.26 -3.55 120.64 114.86 2if7 n GLU 80 Ca -0.01 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.11 2if7 n GLU 80 Cb 0.56 -1.11 0.09 0.00 1.43 0.00 0.00 31.44 32.41 2if7 n GLU 80 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2if7 n ASP 81 N -0.61 2.22 -4.66 -1.84 8.00 -0.61 -4.91 116.55 114.13 2if7 n ASP 81 Ca 0.04 -1.61 -0.47 0.00 0.71 0.00 0.00 54.79 53.45 2if7 n ASP 81 Cb 0.02 0.28 -0.05 0.00 -0.02 0.00 0.00 41.12 41.35 2if7 n ASP 81 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2if7 n THR 82 N 0.36 0.08 -3.78 -3.53 -1.04 -1.23 -4.84 114.28 100.29 2if7 n THR 82 Ca 0.11 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 2if7 n THR 82 Cb 0.49 -1.48 0.00 0.00 -1.82 0.00 0.00 70.33 67.52 2if7 n THR 82 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2if7 n GLY 83 N 3.44 -1.17 3.61 3.41 0.00 -0.73 -5.03 105.19 108.73 2if7 n GLY 83 Ca 0.18 -1.11 -0.38 0.00 0.00 0.00 0.00 46.02 44.71 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 6.15 -0.01 1.61 0.15 -1.26 -0.99 113.70 115.35 2if7 s SER 84 Ca 0.00 0.16 0.04 0.00 0.70 0.00 0.00 55.95 56.85 2if7 s SER 84 Cb 0.00 -2.16 -0.03 0.00 -1.71 0.00 0.00 66.02 62.12 2if7 s SER 84 CO 0.00 -0.09 -0.12 -0.31 1.20 0.00 0.00 173.24 173.93 2if7 s TYR 85 N 1.74 2.76 -0.02 3.44 1.51 0.17 -1.03 117.35 125.93 2if7 s TYR 85 Ca 0.11 -0.12 -0.19 0.00 -1.01 0.00 0.00 57.07 55.86 2if7 s TYR 85 Cb -0.15 -1.60 0.04 0.00 -0.11 0.00 0.00 41.96 40.14 2if7 s TYR 85 CO 0.09 0.28 0.42 -0.98 -1.11 0.00 0.00 175.55 174.25 2if7 s ARG 86 N -1.13 0.80 -0.14 -0.62 1.70 -0.89 0.74 118.95 119.41 2if7 s ARG 86 Ca 0.14 -0.10 -0.02 0.00 -0.47 0.00 0.00 55.73 55.28 2if7 s ARG 86 Cb -0.11 0.36 -0.02 0.00 -0.57 0.00 0.00 34.95 34.61 2if7 s ARG 86 CO 0.04 -0.24 -0.06 0.00 -1.08 0.00 0.00 175.30 173.96 2if7 s ALA 87 N -1.43 2.91 -0.37 7.88 0.00 -0.85 -1.55 121.76 128.35 2if7 s ALA 87 Ca -0.12 -0.84 -0.02 0.00 0.00 0.00 0.00 51.96 50.98 2if7 s ALA 87 Cb -0.03 -1.45 0.09 0.00 0.00 0.00 0.00 23.12 21.73 2if7 s ALA 87 CO 0.05 0.25 0.14 -1.14 0.00 0.00 0.00 175.76 175.06 2if7 s GLN 88 N 0.27 2.11 -0.24 0.00 0.74 -0.14 -2.34 119.66 120.05 2if7 s GLN 88 Ca -0.05 -1.65 -0.25 0.00 0.05 0.00 0.00 55.36 53.46 2if7 s GLN 88 Cb -0.14 -3.46 -0.00 0.00 1.10 0.00 0.00 33.01 30.50 2if7 s GLN 88 CO 0.04 -0.93 0.84 0.96 -0.55 0.00 0.00 175.29 175.64 2if7 s ILE 89 N 1.17 4.82 -0.48 -2.34 -4.36 -1.11 -2.37 121.20 116.53 2if7 s ILE 89 Ca 0.05 1.59 -0.01 0.00 -0.26 0.00 0.00 60.65 62.02 2if7 s ILE 89 Cb -0.22 -4.13 0.13 0.00 1.25 0.00 0.00 42.46 39.49 2if7 s ILE 89 CO -0.03 -0.08 0.27 -0.44 0.24 0.00 0.00 174.94 174.89 2if7 s SER 90 N 1.33 5.11 0.00 4.36 0.01 -0.81 -3.02 113.70 120.68 2if7 s SER 90 Ca 0.35 -2.41 0.00 0.00 1.31 0.00 0.00 55.95 55.20 2if7 s SER 90 Cb -0.15 -1.80 0.00 0.00 0.21 0.00 0.00 66.02 64.28 2if7 s SER 90 CO 0.07 -0.44 0.00 0.35 0.41 0.00 0.00 173.24 173.63 2if7 n THR 91 N 4.05 0.00 0.46 1.44 -2.24 -1.18 -1.73 114.28 115.07 2if7 n THR 91 Ca 0.02 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.86 2if7 n THR 91 Cb 0.39 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.65 2if7 n THR 91 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2if7 n LYS 92 N 0.00 1.24 -0.31 -0.78 4.81 -1.26 -4.57 118.16 117.28 2if7 n LYS 92 Ca 0.00 -0.90 0.00 0.00 -0.87 0.00 0.00 58.31 56.54 2if7 n LYS 92 Cb 0.00 -1.16 0.00 0.00 0.02 0.00 0.00 35.03 33.89 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 0.22 0.00 -4.04 3.15 -2.24 -1.26 -5.13 114.28 104.97 2if7 n THR 93 Ca 0.05 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.74 2if7 n THR 93 Cb 0.25 0.39 -0.09 0.00 -2.10 0.00 0.00 70.33 68.78 2if7 n THR 93 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2if7 s SER 94 N -0.35 0.20 -0.35 3.42 0.01 -1.26 -5.06 113.70 110.30 2if7 s SER 94 Ca 0.00 -1.00 0.13 0.00 1.31 0.00 0.00 55.95 56.39 2if7 s SER 94 Cb 0.00 0.35 0.42 0.00 0.21 0.00 0.00 66.02 66.99 2if7 s SER 94 CO 0.00 -0.78 1.37 0.00 0.41 0.00 0.00 173.24 174.24 2if7 n ALA 95 N -0.12 2.25 -1.58 1.44 0.00 -1.24 -3.11 120.51 118.15 2if7 n ALA 95 Ca -0.08 -1.49 -0.49 0.00 0.00 0.00 0.00 53.44 51.39 2if7 n ALA 95 Cb 0.63 -0.91 -0.04 0.00 0.00 0.00 0.00 19.45 19.13 2if7 n ALA 95 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2if7 n LYS 96 N -0.94 1.16 -4.49 0.00 4.76 -1.17 -4.67 118.16 112.81 2if7 n LYS 96 Ca -0.07 0.41 -0.34 0.00 -2.87 0.00 0.00 58.31 55.45 2if7 n LYS 96 Cb 0.85 -1.91 -0.12 0.00 -1.84 0.00 0.00 35.03 32.01 2if7 n LYS 96 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2if7 s LEU 97 N 0.66 3.15 -0.36 -0.35 1.43 -1.26 -2.75 118.68 119.20 2if7 s LEU 97 Ca 0.73 -0.15 -0.08 0.00 -1.03 0.00 0.00 54.13 53.61 2if7 s LEU 97 Cb -0.85 -1.74 0.05 0.00 0.03 0.00 0.00 46.19 43.67 2if7 s LEU 97 CO 0.52 0.19 0.16 -0.44 0.23 0.00 0.00 176.35 177.02 2if7 s SER 98 N 0.21 5.48 -0.25 2.29 0.01 -0.99 -4.97 113.70 115.48 2if7 s SER 98 Ca -0.03 -1.19 -0.12 0.00 1.31 0.00 0.00 55.95 55.92 2if7 s SER 98 Cb -0.14 -1.93 -0.05 0.00 0.21 0.00 0.00 66.02 64.11 2if7 s SER 98 CO 0.03 -0.39 0.23 -0.44 0.41 0.00 0.00 173.24 173.09 2if7 s SER 99 N 1.58 6.14 -0.13 2.44 0.01 -1.26 -2.01 113.70 120.47 2if7 s SER 99 Ca 0.00 0.15 0.02 0.00 1.31 0.00 0.00 55.95 57.43 2if7 s SER 99 Cb -0.20 -2.14 0.01 0.00 0.21 0.00 0.00 66.02 63.90 2if7 s SER 99 CO 0.04 -0.03 -0.21 -0.31 0.41 0.00 0.00 173.24 173.13 2if7 s TYR 100 N 1.51 2.59 -0.37 2.43 2.02 0.23 0.56 117.35 126.31 2if7 s TYR 100 Ca 0.10 -1.29 -0.06 0.00 -0.37 0.00 0.00 57.07 55.45 2if7 s TYR 100 Cb -0.15 -1.77 0.06 0.00 -0.40 0.00 0.00 41.96 39.70 2if7 s TYR 100 CO 0.08 -0.59 0.15 0.95 -1.57 0.00 0.00 175.55 174.57 2if7 s THR 101 N 0.82 3.78 -0.33 -0.71 -4.23 -0.27 0.44 115.64 115.13 2if7 s THR 101 Ca -0.07 -1.33 -0.11 0.00 -1.18 0.00 0.00 61.69 59.00 2if7 s THR 101 Cb -0.16 -3.24 -0.00 0.00 1.34 0.00 0.00 72.50 70.44 2if7 s THR 101 CO -0.02 -0.32 0.19 -0.22 -0.54 0.00 0.00 174.62 173.71 2if7 s LEU 102 N 1.37 4.34 0.02 4.79 0.20 -0.16 -2.78 118.68 126.45 2if7 s LEU 102 Ca 0.00 -0.61 -0.14 0.00 0.69 0.00 0.00 54.13 54.08 2if7 s LEU 102 Cb -0.21 -2.04 -0.06 0.00 -0.43 0.00 0.00 46.19 43.46 2if7 s LEU 102 CO 0.01 -0.25 0.41 -0.13 -0.29 0.00 0.00 176.35 176.11 2if7 s ARG 103 N 1.63 3.89 -0.22 1.98 0.52 -1.01 -1.77 118.95 123.97 2if7 s ARG 103 Ca 0.04 0.38 -0.03 0.00 -0.52 0.00 0.00 55.73 55.60 2if7 s ARG 103 Cb -0.18 -3.18 -0.00 0.00 0.52 0.00 0.00 34.95 32.12 2if7 s ARG 103 CO 0.07 0.67 -0.06 0.42 0.02 0.00 0.00 175.30 176.42 2if7 s ILE 104 N -1.14 3.15 0.16 1.52 1.01 -1.26 -3.04 121.20 121.61 2if7 s ILE 104 Ca 0.25 -0.61 0.08 0.00 0.00 0.00 0.00 60.65 60.38 2if7 s ILE 104 Cb -0.16 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.83 2if7 s ILE 104 CO 0.14 0.41 -0.09 -0.76 0.00 0.00 0.00 174.94 174.64 2if7 s LEU 105 N 1.44 3.01 0.34 2.97 1.43 -0.86 -4.96 118.68 122.04 2if7 s LEU 105 Ca 0.05 -0.53 -0.25 0.00 -1.03 0.00 0.00 54.13 52.38 2if7 s LEU 105 Cb -0.14 -1.71 -0.10 0.00 0.03 0.00 0.00 46.19 44.26 2if7 s LEU 105 CO -0.05 0.12 0.93 -0.13 0.23 0.00 0.00 176.35 177.46 2if7 s ARG 106 N -2.70 4.50 0.42 1.70 0.52 -1.26 -3.10 118.95 119.03 2if7 s ARG 106 Ca 0.24 1.27 -0.25 0.00 -0.52 0.00 0.00 55.73 56.47 2if7 s ARG 106 Cb -0.09 -2.69 -0.08 0.00 0.52 0.00 0.00 34.95 32.61 2if7 s ARG 106 CO 0.15 0.23 1.21 -1.14 0.02 0.00 0.00 175.30 175.77 2if7 s GLN 107 N -2.26 3.93 1.19 3.54 2.00 -1.26 -4.96 119.66 121.82 2if7 s GLN 107 Ca 0.52 1.92 -0.16 0.00 -2.00 0.00 0.00 55.36 55.63 2if7 s GLN 107 Cb -0.17 -2.62 0.28 0.00 0.80 0.00 0.00 33.01 31.30 2if7 s GLN 107 CO 0.22 -0.45 1.05 -0.51 -0.50 0.00 0.00 175.29 175.09 2if7 s LEU 108 N -2.64 0.57 -0.29 3.68 2.01 -1.26 -4.82 118.68 115.93 2if7 s LEU 108 Ca 0.59 1.03 -0.26 0.00 0.01 0.00 0.00 54.13 55.50 2if7 s LEU 108 Cb -0.32 -2.85 0.18 0.00 0.01 0.00 0.00 46.19 43.21 2if7 s LEU 108 CO 0.41 -4.15 1.38 -0.13 1.01 0.00 0.00 176.35 174.86 2if7 s ARG 109 N -4.98 0.11 -1.24 1.70 0.52 -1.26 -5.00 118.95 108.80 2if7 s ARG 109 Ca 0.68 0.10 -0.08 0.00 -0.52 0.00 0.00 55.73 55.91 2if7 s ARG 109 Cb -0.17 0.05 -0.01 0.00 0.52 0.00 0.00 34.95 35.35 2if7 s ARG 109 CO 0.59 -0.02 0.70 0.09 0.02 0.00 0.00 175.30 176.68 2if7 n ASN 110 N 1.33 -3.00 -4.66 0.23 4.13 -1.26 -1.95 115.26 110.08 2if7 n ASN 110 Ca -0.08 -0.91 -0.47 0.00 1.68 0.00 0.00 54.58 54.80 2if7 n ASN 110 Cb 0.57 -3.76 -0.04 0.00 -1.54 0.00 0.00 39.78 35.01 2if7 n ASN 110 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2if7 n ILE 111 N -4.16 0.04 -4.03 2.41 0.00 -1.26 -4.41 119.36 107.94 2if7 n ILE 111 Ca -0.21 -0.01 -0.12 0.00 0.00 0.00 0.00 62.75 62.41 2if7 n ILE 111 Cb 0.64 -1.47 -0.12 0.00 0.00 0.00 0.00 39.64 38.69 2if7 n ILE 111 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2if7 s GLN 112 N 1.07 0.38 0.02 9.51 -1.52 0.25 -4.98 119.66 124.39 2if7 s GLN 112 Ca 0.80 -0.52 0.02 0.00 -1.95 0.00 0.00 55.36 53.71 2if7 s GLN 112 Cb -0.71 -0.17 -0.01 0.00 -0.22 0.00 0.00 33.01 31.89 2if7 s GLN 112 CO 0.40 0.03 -0.05 0.14 -0.25 0.00 0.00 175.29 175.55 2if7 s VAL 113 N -0.99 0.39 0.05 1.09 -7.23 -1.26 -0.04 120.40 112.41 2if7 s VAL 113 Ca -0.08 -0.58 0.06 0.00 -1.81 0.00 0.00 61.98 59.57 2if7 s VAL 113 Cb -0.07 -0.40 -0.03 0.00 0.56 0.00 0.00 36.38 36.44 2if7 s VAL 113 CO -0.00 -0.14 -0.17 0.42 -0.31 0.00 0.00 175.10 174.90 2if7 s THR 114 N -0.71 1.38 0.06 5.32 -4.23 0.02 -4.96 115.64 112.53 2if7 s THR 114 Ca -0.04 -1.16 0.01 0.00 -1.18 0.00 0.00 61.69 59.31 2if7 s THR 114 Cb -0.06 -1.24 -0.04 0.00 1.34 0.00 0.00 72.50 72.51 2if7 s THR 114 CO -0.00 0.05 0.19 0.21 -0.54 0.00 0.00 174.62 174.52 2if7 s ASN 115 N -1.30 6.21 -0.02 3.99 2.47 -1.26 -2.49 114.94 122.53 2if7 s ASN 115 Ca 0.04 0.22 0.00 0.00 0.42 0.00 0.00 52.86 53.54 2if7 s ASN 115 Cb -0.09 -1.87 0.03 0.00 -1.45 0.00 0.00 41.25 37.87 2if7 s ASN 115 CO 0.02 0.17 0.02 -1.00 -3.72 0.00 0.00 177.10 172.59 2if7 s HIS 116 N -1.49 0.09 0.00 0.43 3.76 -1.00 -5.01 115.29 112.06 2if7 s HIS 116 Ca 0.34 0.10 0.00 0.00 -0.15 0.00 0.00 55.06 55.35 2if7 s HIS 116 Cb -0.13 -0.27 0.00 0.00 1.11 0.00 0.00 32.58 33.29 2if7 s HIS 116 CO 0.27 -0.10 0.00 -1.13 -0.85 0.00 0.00 174.74 172.93 2if7 n SER 117 N 4.18 0.00 0.00 1.40 3.41 -1.26 -3.71 113.62 117.64 2if7 n SER 117 Ca -0.28 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.33 2if7 n SER 117 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 2if7 n SER 117 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2if7 n ASN 122 N 0.00 0.00 0.28 4.04 6.94 -1.26 -5.17 115.26 120.10 2if7 n ASN 122 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 54.58 54.43 2if7 n ASN 122 Cb 0.00 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.36 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 -0.74 -6.91 -3.83 -0.00 -2.01 -3.45 114.93 97.99 2if7 h MET 123 Ca 0.00 0.05 -0.47 0.00 -0.00 0.00 0.00 59.70 59.28 2if7 h MET 123 Cb 0.00 0.17 0.06 0.00 -0.00 0.00 0.00 31.60 31.83 2if7 h MET 123 CO 0.00 -0.46 0.01 -0.08 -0.00 0.00 0.00 176.91 176.38 2if7 s THR 124 N -4.29 2.25 -0.30 -0.10 -1.32 -1.26 -4.79 115.64 105.83 2if7 s THR 124 Ca -0.12 -0.74 -0.12 0.00 -1.21 0.00 0.00 61.69 59.49 2if7 s THR 124 Cb 0.01 -2.51 0.17 0.00 -1.51 0.00 0.00 72.50 68.67 2if7 s THR 124 CO 0.39 0.00 0.92 0.00 -2.21 0.00 0.00 174.62 173.72 2if7 n GLU 126 N 5.24 0.00 -3.91 0.00 4.07 -1.17 0.59 120.64 125.45 2if7 n GLU 126 Ca -0.07 0.00 -0.24 0.00 -0.06 0.00 0.00 57.16 56.79 2if7 n GLU 126 Cb 0.52 0.00 -0.17 0.00 -0.06 0.00 0.00 31.44 31.73 2if7 n GLU 126 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 2if7 s LEU 127 N 0.00 0.94 0.03 4.31 2.96 -0.74 -4.72 118.68 121.46 2if7 s LEU 127 Ca 0.00 -0.17 0.06 0.00 -0.22 0.00 0.00 54.13 53.80 2if7 s LEU 127 Cb 0.00 -0.58 -0.02 0.00 0.50 0.00 0.00 46.19 46.08 2if7 s LEU 127 CO 0.00 -0.14 -0.18 -2.28 -1.32 0.00 0.00 176.35 172.43 2if7 s HIS 128 N 1.66 1.59 -0.05 5.38 5.65 -1.24 0.67 115.29 128.94 2if7 s HIS 128 Ca 0.01 -0.36 -0.08 0.00 0.25 0.00 0.00 55.06 54.88 2if7 s HIS 128 Cb -0.13 -0.95 0.02 0.00 -1.18 0.00 0.00 32.58 30.34 2if7 s HIS 128 CO -0.05 0.06 0.21 -0.51 -0.65 0.00 0.00 174.74 173.80 2if7 s LEU 129 N -1.06 1.22 -0.04 8.88 1.43 0.22 -2.38 118.68 126.95 2if7 s LEU 129 Ca 0.05 0.22 0.06 0.00 -1.03 0.00 0.00 54.13 53.44 2if7 s LEU 129 Cb -0.08 0.80 -0.01 0.00 0.03 0.00 0.00 46.19 46.93 2if7 s LEU 129 CO 0.01 -0.20 -0.22 -0.89 0.23 0.00 0.00 176.35 175.28 2if7 s THR 130 N -0.47 1.76 -0.18 5.49 2.01 -1.04 -0.45 115.64 122.76 2if7 s THR 130 Ca -0.06 -0.92 0.00 0.00 0.31 0.00 0.00 61.69 61.03 2if7 s THR 130 Cb -0.04 -1.48 0.04 0.00 0.01 0.00 0.00 72.50 71.03 2if7 s THR 130 CO 0.01 0.50 -0.10 0.00 -0.69 0.00 0.00 174.62 174.34 2if7 s SER 132 N 1.47 4.52 0.00 0.00 1.04 0.94 -4.69 113.70 116.98 2if7 s SER 132 Ca 0.01 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 55.69 2if7 s SER 132 Cb -0.15 -0.75 0.00 0.00 0.10 0.00 0.00 66.02 65.22 2if7 s SER 132 CO -0.09 -0.14 0.00 0.52 0.98 0.00 0.00 173.24 174.51 2if7 n VAL 133 N -0.99 0.00 0.00 5.02 0.31 -1.26 -0.58 118.33 120.82 2if7 n VAL 133 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 2if7 n VAL 133 Cb 0.60 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.53 2if7 n VAL 133 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2if7 n GLU 134 N 0.00 0.00 -1.58 5.55 -0.58 -0.82 -4.79 120.64 118.42 2if7 n GLU 134 Ca 0.00 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.33 2if7 n GLU 134 Cb 0.00 -0.07 -0.01 0.00 -0.57 0.00 0.00 31.44 30.79 2if7 n GLU 134 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2if7 n ASP 135 N -1.63 5.76 -3.52 1.62 8.00 -1.26 -4.84 116.55 120.68 2if7 n ASP 135 Ca 0.00 -2.74 -0.28 0.00 0.71 0.00 0.00 54.79 52.48 2if7 n ASP 135 Cb 0.00 -1.62 -0.07 0.00 -0.02 0.00 0.00 41.12 39.41 2if7 n ASP 135 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2if7 n ALA 136 N 5.10 0.66 -2.15 2.24 0.00 -1.26 -4.83 120.51 120.28 2if7 n ALA 136 Ca 0.62 -1.74 -0.34 0.00 0.00 0.00 0.00 53.44 51.98 2if7 n ALA 136 Cb 0.33 -2.67 -0.06 0.00 0.00 0.00 0.00 19.45 17.05 2if7 n ALA 136 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2if7 s ASP 137 N 5.65 6.91 0.35 0.00 2.15 -1.26 -4.91 116.67 125.56 2if7 s ASP 137 Ca 0.42 1.32 0.30 0.00 0.43 0.00 0.00 52.55 55.02 2if7 s ASP 137 Cb 0.09 -2.38 1.14 0.00 -0.30 0.00 0.00 42.92 41.47 2if7 s ASP 137 CO 0.21 -0.06 1.09 -0.67 -0.17 0.00 0.00 175.17 175.57 2if7 n ASP 138 N 0.26 0.07 -1.53 -0.34 -0.08 -1.26 -1.22 116.55 112.44 2if7 n ASP 138 Ca -0.00 0.82 -0.05 0.00 -1.51 0.00 0.00 54.79 54.05 2if7 n ASP 138 Cb 0.52 -0.41 0.02 0.00 2.34 0.00 0.00 41.12 43.59 2if7 n ASP 138 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2if7 n ASN 139 N -3.68 5.13 -4.61 1.67 3.02 -1.26 -4.90 115.26 110.63 2if7 n ASN 139 Ca 0.30 -2.54 -0.23 0.00 -0.03 0.00 0.00 54.58 52.08 2if7 n ASN 139 Cb 1.27 -0.98 -0.08 0.00 -0.61 0.00 0.00 39.78 39.38 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 -0.69 3.19 -0.07 2.41 1.01 -0.36 -4.39 120.40 121.50 2if7 s VAL 140 Ca 0.10 -2.01 -0.08 0.00 0.00 0.00 0.00 61.98 59.99 2if7 s VAL 140 Cb 0.08 -2.74 0.02 0.00 0.00 0.00 0.00 36.38 33.74 2if7 s VAL 140 CO 0.00 -0.36 0.21 -0.55 0.00 0.00 0.00 175.10 174.40 2if7 s SER 141 N -3.65 -0.20 0.05 3.32 0.15 -0.64 -5.01 113.70 107.72 2if7 s SER 141 Ca 0.32 0.36 0.09 0.00 0.70 0.00 0.00 55.95 57.42 2if7 s SER 141 Cb -0.06 0.41 -0.03 0.00 -1.71 0.00 0.00 66.02 64.64 2if7 s SER 141 CO 0.19 -0.12 -0.25 -0.36 1.20 0.00 0.00 173.24 173.90 2if7 s PHE 142 N -0.08 2.22 -0.05 3.44 0.40 -1.26 -2.34 117.98 120.31 2if7 s PHE 142 Ca -0.02 -0.40 -0.03 0.00 -0.60 0.00 0.00 56.93 55.88 2if7 s PHE 142 Cb -0.02 -1.32 0.03 0.00 0.51 0.00 0.00 43.02 42.21 2if7 s PHE 142 CO 0.01 0.13 0.11 1.03 0.70 0.00 0.00 175.22 177.20 2if7 s ARG 143 N -1.28 0.08 -0.30 0.44 0.52 -0.79 -3.76 118.95 113.86 2if7 s ARG 143 Ca 0.11 0.27 -0.04 0.00 -0.52 0.00 0.00 55.73 55.54 2if7 s ARG 143 Cb -0.10 -0.11 0.03 0.00 0.52 0.00 0.00 34.95 35.29 2if7 s ARG 143 CO 0.02 -0.12 0.04 -1.58 0.02 0.00 0.00 175.30 173.69 2if7 s TRP 144 N 0.79 3.19 0.14 -0.53 0.52 -1.14 -0.45 118.94 121.47 2if7 s TRP 144 Ca -0.06 -1.45 0.07 0.00 0.02 0.00 0.00 56.10 54.68 2if7 s TRP 144 Cb -0.08 -2.19 -0.04 0.00 -1.15 0.00 0.00 33.47 30.01 2if7 s TRP 144 CO -0.04 -0.71 -0.06 -1.21 0.02 0.00 0.00 176.95 174.95 2if7 s GLU 145 N 1.37 2.23 -0.20 4.98 2.02 0.48 0.42 118.70 130.00 2if7 s GLU 145 Ca -0.01 -1.08 -0.06 0.00 0.02 0.00 0.00 54.97 53.84 2if7 s GLU 145 Cb -0.18 -2.31 0.10 0.00 0.10 0.00 0.00 34.13 31.83 2if7 s GLU 145 CO 0.00 0.48 0.40 0.00 0.02 0.00 0.00 175.26 176.17 2if7 s ALA 146 N -1.47 -1.11 -1.17 5.21 0.00 -0.59 -1.03 121.76 121.59 2if7 s ALA 146 Ca 0.24 1.37 -0.07 0.00 0.00 0.00 0.00 51.96 53.50 2if7 s ALA 146 Cb -0.10 -1.37 -0.02 0.00 0.00 0.00 0.00 23.12 21.63 2if7 s ALA 146 CO 0.16 -0.83 0.83 1.28 0.00 0.00 0.00 175.76 177.19 2if7 n LEU 147 N 5.38 -3.94 -0.62 0.00 4.77 -1.26 -2.31 117.00 119.02 2if7 n LEU 147 Ca -0.07 -0.81 -0.07 0.00 -0.03 0.00 0.00 56.01 55.03 2if7 n LEU 147 Cb 0.50 -2.82 -0.03 0.00 -2.33 0.00 0.00 43.42 38.73 2if7 n LEU 147 CO 0.01 0.33 -0.06 0.61 -1.33 0.00 0.00 177.39 176.94 2if7 n GLY 148 N -1.44 0.63 3.89 -0.72 0.00 -1.26 -4.92 105.19 101.36 2if7 n GLY 148 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.83 6.40 -0.26 1.61 0.01 -0.98 -5.09 114.94 114.80 2if7 s ASN 149 Ca 0.00 0.44 -0.15 0.00 -0.71 0.00 0.00 52.86 52.44 2if7 s ASN 149 Cb 0.00 -2.05 -0.04 0.00 0.41 0.00 0.00 41.25 39.57 2if7 s ASN 149 CO 0.00 0.36 0.38 0.28 -1.51 0.00 0.00 177.10 176.61 2if7 s THR 150 N -1.14 5.17 0.00 1.60 -1.32 -1.26 -1.54 115.64 117.15 2if7 s THR 150 Ca 0.20 0.60 0.00 0.00 -1.21 0.00 0.00 61.69 61.28 2if7 s THR 150 Cb -0.12 -3.71 0.00 0.00 -1.51 0.00 0.00 72.50 67.16 2if7 s THR 150 CO 0.09 0.17 0.00 0.18 -2.21 0.00 0.00 174.62 172.85 2if7 n LEU 151 N 5.22 0.05 -4.91 9.08 4.77 0.17 -5.01 117.00 126.37 2if7 n LEU 151 Ca -0.08 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.62 2if7 n LEU 151 Cb 0.51 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.67 2if7 n LEU 151 CO 0.38 0.00 0.69 -0.55 -1.33 0.00 0.00 177.39 176.58 2if7 s SER 152 N -1.00 4.77 -0.04 -1.43 0.15 -1.18 -4.92 113.70 110.05 2if7 s SER 152 Ca 0.00 0.65 0.06 0.00 0.70 0.00 0.00 55.95 57.36 2if7 s SER 152 Cb 0.00 -1.26 0.09 0.00 -1.71 0.00 0.00 66.02 63.13 2if7 s SER 152 CO 0.00 -1.68 1.01 -1.20 1.20 0.00 0.00 173.24 172.57 2if7 n SER 153 N -3.07 0.81 -3.93 5.45 7.64 -1.26 -2.86 113.62 116.39 2if7 n SER 153 Ca 0.08 -2.26 -0.10 0.00 1.01 0.00 0.00 58.87 57.61 2if7 n SER 153 Cb 0.60 -0.25 -0.10 0.00 -1.01 0.00 0.00 64.21 63.46 2if7 n SER 153 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2if7 s GLN 154 N -0.93 0.52 0.59 1.43 -0.21 -1.25 -4.25 119.66 115.56 2if7 s GLN 154 Ca 0.10 -0.67 0.07 0.00 0.02 0.00 0.00 55.36 54.88 2if7 s GLN 154 Cb 0.09 0.21 0.36 0.00 1.00 0.00 0.00 33.01 34.67 2if7 s GLN 154 CO 0.01 -0.12 1.16 -1.35 -2.12 0.00 0.00 175.29 172.86 2if7 h PRO 155 N 3.93 0.00 -6.11 2.91 0.11 -1.89 -3.40 132.00 127.55 2if7 h PRO 155 Ca -0.32 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.13 2if7 h PRO 155 Cb 1.19 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.19 2if7 h PRO 155 CO 0.47 0.00 -0.61 -0.80 -0.21 0.00 0.00 178.00 176.85 2if7 s ASN 156 N -3.22 5.42 -0.08 -2.05 0.01 -1.26 -0.77 114.94 113.00 2if7 s ASN 156 Ca -0.01 0.04 -0.04 0.00 -0.71 0.00 0.00 52.86 52.15 2if7 s ASN 156 Cb 0.02 -1.48 0.04 0.00 0.41 0.00 0.00 41.25 40.24 2if7 s ASN 156 CO 0.06 0.25 0.18 -0.22 -1.51 0.00 0.00 177.10 175.86 2if7 s LEU 157 N -1.85 0.73 -0.13 0.60 2.96 0.41 -4.77 118.68 116.63 2if7 s LEU 157 Ca 0.23 0.38 0.02 0.00 -0.22 0.00 0.00 54.13 54.54 2if7 s LEU 157 Cb -0.12 0.51 0.01 0.00 0.50 0.00 0.00 46.19 47.10 2if7 s LEU 157 CO 0.15 -0.14 -0.20 0.28 -1.32 0.00 0.00 176.35 175.12 2if7 s THR 158 N 1.03 1.89 -0.02 3.68 -1.32 -1.26 0.72 115.64 120.35 2if7 s THR 158 Ca -0.08 -0.88 -0.12 0.00 -1.21 0.00 0.00 61.69 59.40 2if7 s THR 158 Cb -0.09 -1.68 0.02 0.00 -1.51 0.00 0.00 72.50 69.24 2if7 s THR 158 CO -0.06 0.52 0.26 0.54 -2.21 0.00 0.00 174.62 173.66 2if7 s VAL 159 N 0.82 0.06 -0.16 5.08 0.11 0.21 -4.99 120.40 121.53 2if7 s VAL 159 Ca -0.08 -0.47 -0.05 0.00 -2.93 0.00 0.00 61.98 58.45 2if7 s VAL 159 Cb -0.16 -0.53 -0.03 0.00 -1.53 0.00 0.00 36.38 34.13 2if7 s VAL 159 CO -0.01 -0.26 0.00 -0.55 -3.33 0.00 0.00 175.10 170.95 2if7 s SER 160 N -1.15 5.15 -0.13 3.54 0.15 -1.25 -1.80 113.70 118.21 2if7 s SER 160 Ca -0.12 -0.02 -0.01 0.00 0.70 0.00 0.00 55.95 56.50 2if7 s SER 160 Cb -0.05 -1.82 0.03 0.00 -1.71 0.00 0.00 66.02 62.47 2if7 s SER 160 CO 0.03 0.19 -0.04 0.86 1.20 0.00 0.00 173.24 175.48 2if7 s TRP 161 N 0.22 1.34 -0.24 3.44 -0.00 2.46 -4.86 118.94 121.30 2if7 s TRP 161 Ca 0.00 -0.75 -0.04 0.00 -0.00 0.00 0.00 56.10 55.32 2if7 s TRP 161 Cb -0.13 -1.15 0.01 0.00 -0.00 0.00 0.00 33.47 32.20 2if7 s TRP 161 CO 0.02 -0.52 -0.03 0.34 -0.00 0.00 0.00 176.95 176.76 2if7 s ASP 162 N 1.75 4.43 0.66 5.86 -1.08 -1.26 -3.47 116.67 123.56 2if7 s ASP 162 Ca 0.03 -0.61 0.34 0.00 -0.52 0.00 0.00 52.55 51.79 2if7 s ASP 162 Cb -0.14 -1.73 1.88 0.00 -1.46 0.00 0.00 42.92 41.47 2if7 s ASP 162 CO -0.07 -0.09 2.08 1.55 0.52 0.00 0.00 175.17 179.16 2if7 h PRO 163 N 8.10 0.00 -0.01 4.34 0.13 -1.91 0.40 132.00 143.06 2if7 h PRO 163 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2if7 h PRO 163 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2if7 h PRO 163 CO 0.59 0.00 -0.65 0.54 -0.23 0.00 0.00 178.00 178.26 2if7 n ARG 164 N -3.08 0.48 0.00 0.86 1.74 -1.26 -4.75 116.66 110.66 2if7 n ARG 164 Ca -0.02 -0.37 0.00 0.00 -0.77 0.00 0.00 57.85 56.69 2if7 n ARG 164 Cb 0.29 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 2if7 n ARG 164 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 2if7 n ILE 165 N -0.93 0.00 -1.71 0.55 0.13 -0.25 -5.10 119.36 112.04 2if7 n ILE 165 Ca 0.07 0.00 -0.43 0.00 -1.10 0.00 0.00 62.75 61.29 2if7 n ILE 165 Cb 0.38 0.00 -0.02 0.00 -0.84 0.00 0.00 39.64 39.16 2if7 n ILE 165 CO 0.00 0.00 0.00 -0.24 2.80 0.00 0.00 176.55 179.11 2if7 n SER 166 N -1.00 3.32 -0.31 9.51 2.88 0.13 -4.84 113.62 123.30 2if7 n SER 166 Ca 0.00 1.15 0.17 0.00 -1.33 0.00 0.00 58.87 58.86 2if7 n SER 166 Cb 0.00 -1.52 0.42 0.00 -0.75 0.00 0.00 64.21 62.36 2if7 n SER 166 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2if7 h SER 167 N 4.31 0.60 0.00 -3.46 0.87 -1.96 -3.46 113.55 110.45 2if7 h SER 167 Ca -0.46 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 2if7 h SER 167 Cb 1.25 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2if7 h SER 167 CO 0.76 0.21 0.00 -1.84 -0.53 0.00 0.00 176.83 175.43 2if7 n GLU 168 N -4.65 0.00 -1.07 2.24 -0.00 -1.26 -5.10 120.64 110.80 2if7 n GLU 168 Ca 0.22 0.00 -0.02 0.00 -0.00 0.00 0.00 57.16 57.36 2if7 n GLU 168 Cb 0.67 0.00 -0.03 0.00 -0.00 0.00 0.00 31.44 32.08 2if7 n GLU 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2if7 n GLN 169 N 0.00 0.00 -3.77 3.44 0.00 -1.26 -4.98 117.38 110.81 2if7 n GLN 169 Ca 0.00 -1.20 -0.13 0.00 0.00 0.00 0.00 57.00 55.68 2if7 n GLN 169 Cb 0.00 0.23 -0.12 0.00 0.00 0.00 0.00 30.24 30.35 2if7 n GLN 169 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2if7 s ASP 170 N -1.20 -0.26 -0.08 2.61 1.01 -1.26 -0.83 116.67 116.66 2if7 s ASP 170 Ca 0.10 0.50 0.05 0.00 0.71 0.00 0.00 52.55 53.92 2if7 s ASP 170 Cb 0.12 0.47 -0.00 0.00 1.01 0.00 0.00 42.92 44.52 2if7 s ASP 170 CO -0.05 -0.11 -0.23 -0.31 0.21 0.00 0.00 175.17 174.67 2if7 s TYR 171 N 0.48 2.41 -0.09 4.23 2.02 -0.98 -4.65 117.35 120.77 2if7 s TYR 171 Ca -0.03 -0.87 0.04 0.00 -0.37 0.00 0.00 57.07 55.85 2if7 s TYR 171 Cb -0.04 -1.60 -0.00 0.00 -0.40 0.00 0.00 41.96 39.92 2if7 s TYR 171 CO -0.02 -0.32 -0.23 0.99 -1.57 0.00 0.00 175.55 174.40 2if7 s THR 172 N 0.14 1.96 -0.09 -0.71 2.01 -0.20 -1.43 115.64 117.33 2if7 s THR 172 Ca -0.12 -0.97 -0.09 0.00 0.31 0.00 0.00 61.69 60.81 2if7 s THR 172 Cb -0.16 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.61 2if7 s THR 172 CO 0.06 0.54 0.22 0.00 -0.69 0.00 0.00 174.62 174.75 2if7 s ILE 174 N -0.97 0.74 -1.00 0.00 1.01 0.41 -2.03 121.20 119.35 2if7 s ILE 174 Ca 0.17 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.36 2if7 s ILE 174 Cb -0.13 -1.04 0.31 0.00 0.01 0.00 0.00 42.46 41.62 2if7 s ILE 174 CO 0.06 0.02 1.60 0.00 0.00 0.00 0.00 174.94 176.63 2if7 n ALA 175 N 5.00 5.60 -1.77 9.38 0.00 -0.92 -1.89 120.51 135.91 2if7 n ALA 175 Ca -0.10 -4.69 -0.38 0.00 0.00 0.00 0.00 53.44 48.27 2if7 n ALA 175 Cb 0.48 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.85 2if7 n ALA 175 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2if7 s GLU 176 N -3.69 3.68 0.00 0.00 2.12 -0.99 -3.90 118.70 115.93 2if7 s GLU 176 Ca 0.37 1.95 0.00 0.00 0.36 0.00 0.00 54.97 57.65 2if7 s GLU 176 Cb 0.15 -2.46 0.00 0.00 0.26 0.00 0.00 34.13 32.08 2if7 s GLU 176 CO -0.04 -0.66 0.00 0.27 -0.54 0.00 0.00 175.26 174.28 2if7 n ASN 177 N -0.45 0.00 -0.01 -1.70 6.94 0.14 -1.61 115.26 118.56 2if7 n ASN 177 Ca 0.07 -0.77 0.01 0.00 -0.02 0.00 0.00 54.58 53.87 2if7 n ASN 177 Cb 0.46 0.00 0.33 0.00 -2.36 0.00 0.00 39.78 38.22 2if7 n ASN 177 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2if7 h ALA 178 N 1.02 1.47 -0.05 -2.53 0.00 -1.97 -3.21 119.26 113.99 2if7 h ALA 178 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2if7 h ALA 178 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2if7 h ALA 178 CO 0.00 0.39 0.00 1.33 0.00 0.00 0.00 179.25 180.97 2if7 n VAL 179 N -4.34 1.71 0.00 0.00 0.24 -1.26 -5.04 118.33 109.64 2if7 n VAL 179 Ca 0.02 -1.89 0.00 0.00 -2.04 0.00 0.00 64.34 60.43 2if7 n VAL 179 Cb 0.19 -0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.51 2if7 n VAL 179 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2if7 n SER 180 N -1.04 0.00 -4.07 -1.34 3.41 -1.21 -4.98 113.62 104.39 2if7 n SER 180 Ca 0.13 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.64 2if7 n SER 180 Cb 0.58 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.45 2if7 n SER 180 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2if7 s ASN 181 N 0.00 0.03 0.24 4.04 2.20 -1.26 0.23 114.94 120.42 2if7 s ASN 181 Ca 0.00 -1.09 0.01 0.00 -0.94 0.00 0.00 52.86 50.85 2if7 s ASN 181 Cb 0.00 0.48 -0.05 0.00 -2.00 0.00 0.00 41.25 39.68 2if7 s ASN 181 CO 0.00 -0.98 0.08 -0.76 -2.94 0.00 0.00 177.10 172.50 2if7 s LEU 182 N -3.06 1.71 0.03 3.54 1.43 -1.25 -4.95 118.68 116.13 2if7 s LEU 182 Ca 0.27 -1.35 -0.01 0.00 -1.03 0.00 0.00 54.13 52.01 2if7 s LEU 182 Cb 0.03 0.01 -0.02 0.00 0.03 0.00 0.00 46.19 46.24 2if7 s LEU 182 CO 0.08 -0.70 -0.01 -0.44 0.23 0.00 0.00 176.35 175.51 2if7 s SER 183 N -3.29 0.27 -0.16 2.29 0.01 -1.26 -2.16 113.70 109.40 2if7 s SER 183 Ca 0.36 -0.58 -0.12 0.00 1.31 0.00 0.00 55.95 56.91 2if7 s SER 183 Cb 0.08 0.13 0.05 0.00 0.21 0.00 0.00 66.02 66.48 2if7 s SER 183 CO 0.12 -0.37 0.40 0.12 0.41 0.00 0.00 173.24 173.92 2if7 s PHE 184 N -2.00 -0.49 0.10 2.43 2.19 -0.86 -4.94 117.98 114.41 2if7 s PHE 184 Ca -0.11 1.14 0.06 0.00 0.33 0.00 0.00 56.93 58.35 2if7 s PHE 184 Cb -0.06 0.18 -0.03 0.00 -1.31 0.00 0.00 43.02 41.80 2if7 s PHE 184 CO -0.03 -0.25 -0.17 -1.54 1.83 0.00 0.00 175.22 175.07 2if7 s SER 185 N 0.58 2.07 -0.00 6.13 1.04 -1.26 -0.17 113.70 122.08 2if7 s SER 185 Ca -0.03 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.71 2if7 s SER 185 Cb -0.05 -0.09 0.01 0.00 0.10 0.00 0.00 66.02 65.99 2if7 s SER 185 CO -0.03 -0.04 0.00 0.68 0.98 0.00 0.00 173.24 174.82 2if7 s VAL 186 N -1.45 0.02 -0.34 5.02 -7.23 -0.51 -4.97 120.40 110.93 2if7 s VAL 186 Ca 0.04 0.03 -0.29 0.00 -1.81 0.00 0.00 61.98 59.94 2if7 s VAL 186 Cb -0.09 -0.05 0.02 0.00 0.56 0.00 0.00 36.38 36.82 2if7 s VAL 186 CO 0.03 0.03 1.10 -0.55 -0.31 0.00 0.00 175.10 175.40 2if7 s SER 187 N 0.20 6.86 0.06 4.85 0.15 -1.26 -2.32 113.70 122.24 2if7 s SER 187 Ca -0.02 0.96 -0.19 0.00 0.70 0.00 0.00 55.95 57.41 2if7 s SER 187 Cb -0.03 -2.54 -0.08 0.00 -1.71 0.00 0.00 66.02 61.66 2if7 s SER 187 CO -0.01 -0.96 1.30 0.00 1.20 0.00 0.00 173.24 174.78 2if7 h ALA 188 N 8.38 -0.77 0.00 5.45 0.00 -1.36 0.82 119.26 131.78 2if7 h ALA 188 Ca -0.21 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2if7 h ALA 188 Cb 1.06 0.73 0.00 0.00 0.00 0.00 0.00 17.79 19.58 2if7 h ALA 188 CO 1.05 -0.86 0.10 0.00 0.00 0.00 0.00 179.25 179.55 2if7 n GLN 189 N -4.12 0.00 -0.04 0.00 10.64 -1.26 0.88 117.38 123.47 2if7 n GLN 189 Ca -0.04 0.08 -0.01 0.00 -1.83 0.00 0.00 57.00 55.19 2if7 n GLN 189 Cb 0.22 -1.60 -0.11 0.00 -0.86 0.00 0.00 30.24 27.89 2if7 n GLN 189 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2if7 n LYS 190 N -0.89 1.27 -0.09 2.61 5.02 0.22 -4.53 118.16 121.76 2if7 n LYS 190 Ca 0.00 -0.06 -0.14 0.00 -2.02 0.00 0.00 58.31 56.10 2if7 n LYS 190 Cb 0.10 -1.35 -0.06 0.00 -0.02 0.00 0.00 35.03 33.71 2if7 n LYS 190 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2if7 n LEU 191 N -2.31 1.87 -3.20 -0.35 4.77 0.25 -3.99 117.00 114.04 2if7 n LEU 191 Ca -0.15 0.47 -0.18 0.00 -0.03 0.00 0.00 56.01 56.12 2if7 n LEU 191 Cb 0.72 -0.86 -0.04 0.00 -2.33 0.00 0.00 43.42 40.92 2if7 n LEU 191 CO 0.30 -0.08 1.34 0.00 -1.33 0.00 0.00 177.39 177.62