#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1re7 s ILE 2 N 0.00 4.24 0.05 3.17 1.01 -1.26 -1.19 121.20 127.21 1re7 s ILE 2 Ca 0.00 -0.28 0.03 0.00 0.00 0.00 0.00 60.65 60.40 1re7 s ILE 2 Cb 0.00 -2.78 -0.02 0.00 0.01 0.00 0.00 42.46 39.67 1re7 s ILE 2 CO 0.00 0.60 -0.09 -0.44 0.00 0.00 0.00 174.94 175.01 1re7 s SER 3 N -0.88 1.07 0.19 3.58 0.01 -0.96 -0.27 113.70 116.45 1re7 s SER 3 Ca 0.13 -0.54 0.10 0.00 1.31 0.00 0.00 55.95 56.95 1re7 s SER 3 Cb -0.11 0.00 -0.04 0.00 0.21 0.00 0.00 66.02 66.08 1re7 s SER 3 CO 0.02 -0.15 -0.15 -0.76 0.41 0.00 0.00 173.24 172.61 1re7 s LEU 4 N -1.52 2.77 -0.05 2.44 1.02 -0.80 0.27 118.68 122.80 1re7 s LEU 4 Ca -0.07 -0.71 -0.05 0.00 0.02 0.00 0.00 54.13 53.33 1re7 s LEU 4 Cb -0.09 -1.46 0.01 0.00 0.02 0.00 0.00 46.19 44.67 1re7 s LEU 4 CO 0.01 0.10 0.14 -0.51 0.02 0.00 0.00 176.35 176.11 1re7 s ILE 5 N -1.76 -0.00 -0.06 -0.59 2.07 -1.05 -0.47 121.20 119.35 1re7 s ILE 5 Ca 0.24 0.01 -0.31 0.00 -1.41 0.00 0.00 60.65 59.18 1re7 s ILE 5 Cb -0.08 -0.20 0.11 0.00 0.13 0.00 0.00 42.46 42.42 1re7 s ILE 5 CO 0.13 0.00 1.01 0.00 -1.91 0.00 0.00 174.94 174.17 1re7 s ALA 6 N 0.14 -1.91 -0.18 1.50 0.00 0.25 -4.59 121.76 116.96 1re7 s ALA 6 Ca -0.01 1.15 -0.03 0.00 0.00 0.00 0.00 51.96 53.08 1re7 s ALA 6 Cb -0.02 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.35 1re7 s ALA 6 CO -0.00 -0.68 -0.07 0.00 0.00 0.00 0.00 175.76 175.00 1re7 s ALA 7 N -2.88 2.76 -0.08 0.00 0.00 -1.26 -0.83 121.76 119.48 1re7 s ALA 7 Ca 0.07 -1.05 -0.00 0.00 0.00 0.00 0.00 51.96 50.98 1re7 s ALA 7 Cb -0.01 -1.53 -0.03 0.00 0.00 0.00 0.00 23.12 21.56 1re7 s ALA 7 CO -0.07 -0.15 -0.05 -0.51 0.00 0.00 0.00 175.76 174.98 1re7 s LEU 8 N 1.01 3.27 0.00 0.00 1.02 0.12 -4.64 118.68 119.45 1re7 s LEU 8 Ca -0.00 0.01 0.00 0.00 0.02 0.00 0.00 54.13 54.16 1re7 s LEU 8 Cb -0.15 -1.72 0.02 0.00 0.02 0.00 0.00 46.19 44.36 1re7 s LEU 8 CO -0.00 0.36 0.11 0.00 0.02 0.00 0.00 176.35 176.83 1re7 n ALA 9 N 2.28 0.06 -1.67 4.21 0.00 -0.01 -0.50 120.51 124.88 1re7 n ALA 9 Ca -0.18 -0.24 -0.46 0.00 0.00 0.00 0.00 53.44 52.56 1re7 n ALA 9 Cb 0.53 0.05 -0.04 0.00 0.00 0.00 0.00 19.45 19.98 1re7 n ALA 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1re7 n VAL 10 N -1.44 0.11 -3.00 0.00 0.31 0.75 -2.04 118.33 113.02 1re7 n VAL 10 Ca 0.02 -0.02 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 1re7 n VAL 10 Cb 0.07 -1.60 0.04 0.00 -0.91 0.00 0.00 33.84 31.44 1re7 n VAL 10 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1re7 n ASP 11 N 4.01 -4.16 -0.96 4.52 8.00 -1.26 -3.00 116.55 123.70 1re7 n ASP 11 Ca 0.18 -0.25 -0.10 0.00 0.71 0.00 0.00 54.79 55.32 1re7 n ASP 11 Cb 0.29 -2.77 -0.04 0.00 -0.02 0.00 0.00 41.12 38.57 1re7 n ASP 11 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1re7 n ARG 12 N -2.72 -1.57 -2.20 -1.24 1.74 -0.87 -4.82 116.66 104.99 1re7 n ARG 12 Ca -0.00 0.74 -0.42 0.00 -0.77 0.00 0.00 57.85 57.40 1re7 n ARG 12 Cb 0.53 -4.93 -0.03 0.00 -1.02 0.00 0.00 32.46 27.01 1re7 n ARG 12 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1re7 s VAL 13 N -1.79 3.34 0.00 1.55 1.01 -1.16 0.26 120.40 123.61 1re7 s VAL 13 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 61.98 62.97 1re7 s VAL 13 Cb 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1re7 s VAL 13 CO 0.00 0.09 0.00 2.30 0.00 0.00 0.00 175.10 177.49 1re7 n ILE 14 N 3.69 0.00 -3.72 2.22 -5.35 0.42 -0.83 119.36 115.80 1re7 n ILE 14 Ca 0.10 -0.15 -0.10 0.00 -0.27 0.00 0.00 62.75 62.33 1re7 n ILE 14 Cb 0.43 0.63 -0.04 0.00 -1.74 0.00 0.00 39.64 38.92 1re7 n ILE 14 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1re7 s GLY 15 N -1.13 -0.13 0.00 3.28 0.00 -1.06 -4.99 107.32 103.29 1re7 s GLY 15 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.54 1re7 s GLY 15 CO 0.00 -0.24 0.00 1.15 0.00 0.00 0.00 173.10 174.01 1re7 n MET 16 N -0.34 0.00 0.13 2.90 0.00 -1.26 -1.63 117.12 116.91 1re7 n MET 16 Ca -0.10 0.00 -0.06 0.00 0.00 0.00 0.00 57.70 57.54 1re7 n MET 16 Cb 0.63 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.82 1re7 n MET 16 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 1re7 h GLU 17 N 0.00 -0.35 -6.56 3.17 4.39 -1.99 -3.45 114.58 109.79 1re7 h GLU 17 Ca 0.00 0.02 -0.51 0.00 0.34 0.00 0.00 59.36 59.21 1re7 h GLU 17 Cb 0.00 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1re7 h GLU 17 CO 0.00 -0.23 -0.08 -0.80 -1.16 0.00 0.00 179.01 176.74 1re7 s ASN 18 N -3.71 6.49 0.95 1.42 0.01 -1.26 -5.06 114.94 113.79 1re7 s ASN 18 Ca -0.05 0.84 -0.10 0.00 -0.71 0.00 0.00 52.86 52.84 1re7 s ASN 18 Cb 0.01 -2.20 0.17 0.00 0.41 0.00 0.00 41.25 39.64 1re7 s ASN 18 CO 0.16 -0.22 1.13 0.00 -1.51 0.00 0.00 177.10 176.66 1re7 s ALA 19 N -2.11 1.18 -0.20 0.60 0.00 -1.26 -4.94 121.76 115.03 1re7 s ALA 19 Ca 0.46 0.51 -0.31 0.00 0.00 0.00 0.00 51.96 52.62 1re7 s ALA 19 Cb -0.11 -3.43 -0.08 0.00 0.00 0.00 0.00 23.12 19.50 1re7 s ALA 19 CO 0.29 -2.95 2.13 -1.33 0.00 0.00 0.00 175.76 173.90 1re7 n MET 20 N -4.36 1.87 -1.93 0.00 2.81 -1.26 -4.90 117.12 109.35 1re7 n MET 20 Ca 0.11 0.57 -0.26 0.00 -1.81 0.00 0.00 57.70 56.31 1re7 n MET 20 Cb 0.52 -2.92 -0.07 0.00 -0.71 0.00 0.00 33.22 30.04 1re7 n MET 20 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1re7 n PRO 21 N 8.12 1.28 -3.63 0.03 -0.04 -1.26 -4.78 135.00 134.72 1re7 n PRO 21 Ca 0.30 -2.29 -0.03 0.00 -0.04 0.00 0.00 63.50 61.44 1re7 n PRO 21 Cb 0.36 -3.75 -0.04 0.00 -0.04 0.00 0.00 33.50 30.04 1re7 n PRO 21 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1re7 s TRP 22 N 12.20 -0.09 -0.29 0.54 -2.14 -1.26 -5.09 118.94 122.80 1re7 s TRP 22 Ca 0.71 0.14 0.03 0.00 2.66 0.00 0.00 56.10 59.64 1re7 s TRP 22 Cb -0.01 0.49 0.07 0.00 -3.10 0.00 0.00 33.47 30.93 1re7 s TRP 22 CO 0.15 -0.10 -0.05 1.21 -2.66 0.00 0.00 176.95 175.50 1re7 s ASN 23 N -1.29 4.58 -0.47 -2.66 3.84 -1.26 -5.02 114.94 112.66 1re7 s ASN 23 Ca 0.08 -1.67 0.05 0.00 0.21 0.00 0.00 52.86 51.53 1re7 s ASN 23 Cb -0.01 -1.59 0.18 0.00 -0.55 0.00 0.00 41.25 39.29 1re7 s ASN 23 CO -0.06 -0.26 0.41 0.18 -2.79 0.00 0.00 177.10 174.58 1re7 n LEU 24 N 4.37 0.37 -0.35 3.21 4.77 -1.26 0.03 117.00 128.14 1re7 n LEU 24 Ca -0.08 -4.60 0.06 0.00 -0.03 0.00 0.00 56.01 51.36 1re7 n LEU 24 Cb 0.42 0.29 0.22 0.00 -2.33 0.00 0.00 43.42 42.02 1re7 n LEU 24 CO 0.22 1.88 1.22 -0.65 -1.33 0.00 0.00 177.39 178.73 1re7 h PRO 25 N 5.31 0.96 -0.99 3.23 0.11 -1.97 -1.05 132.00 137.61 1re7 h PRO 25 Ca 0.22 -0.06 0.17 0.00 0.11 0.00 0.00 66.00 66.44 1re7 h PRO 25 Cb 0.87 -0.22 -0.10 0.00 0.11 0.00 0.00 31.00 31.67 1re7 h PRO 25 CO 0.46 0.64 0.62 0.00 -0.21 0.00 0.00 178.00 179.50 1re7 h ALA 26 N 1.51 1.69 -0.33 -0.75 0.00 -1.94 0.26 119.26 119.71 1re7 h ALA 26 Ca 0.47 0.06 -0.16 0.00 0.00 0.00 0.00 54.91 55.27 1re7 h ALA 26 Cb 0.42 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1re7 h ALA 26 CO -0.25 -0.02 -0.44 0.22 0.00 0.00 0.00 179.25 178.76 1re7 h ASP 27 N 0.79 0.92 0.23 0.00 3.58 -1.64 0.81 116.42 121.11 1re7 h ASP 27 Ca 0.54 -0.45 -0.05 0.00 0.42 0.00 0.00 57.03 57.49 1re7 h ASP 27 Cb 0.82 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 1re7 h ASP 27 CO -0.32 1.23 -0.24 -0.07 -2.88 0.00 0.00 179.24 176.95 1re7 h LEU 28 N 0.69 0.03 -0.44 2.28 3.38 -0.17 0.17 115.31 121.25 1re7 h LEU 28 Ca 0.04 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.84 1re7 h LEU 28 Cb 1.03 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 1re7 h LEU 28 CO 0.10 0.27 -0.78 0.00 0.09 0.00 0.00 178.44 178.12 1re7 h ALA 29 N 1.73 0.68 0.01 1.53 0.00 0.06 -2.36 119.26 120.92 1re7 h ALA 29 Ca 0.00 -0.68 -0.20 0.00 0.00 0.00 0.00 54.91 54.03 1re7 h ALA 29 Cb 0.44 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1re7 h ALA 29 CO 0.03 0.90 -0.91 2.35 0.00 0.00 0.00 179.25 181.63 1re7 h TRP 30 N 0.06 0.21 0.70 0.00 2.91 0.51 -2.06 115.95 118.29 1re7 h TRP 30 Ca -0.02 -0.12 -0.03 0.00 1.13 0.00 0.00 58.89 59.84 1re7 h TRP 30 Cb 1.37 -0.02 0.01 0.00 -0.51 0.00 0.00 29.16 30.00 1re7 h TRP 30 CO 0.01 0.97 -0.34 0.35 -1.03 0.00 0.00 178.44 178.40 1re7 h PHE 31 N 0.07 -0.88 -0.64 2.65 3.57 -0.65 -1.66 116.94 119.40 1re7 h PHE 31 Ca -0.04 -0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.57 1re7 h PHE 31 Cb 1.56 0.29 -0.10 0.00 2.79 0.00 0.00 35.95 40.49 1re7 h PHE 31 CO 0.02 -0.55 0.10 -0.22 -2.23 0.00 0.00 178.31 175.44 1re7 h LYS 32 N -1.06 0.21 0.00 1.11 3.64 -1.47 0.19 116.57 119.20 1re7 h LYS 32 Ca -0.10 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 1re7 h LYS 32 Cb 0.72 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1re7 h LYS 32 CO 0.16 0.14 -0.10 -0.09 -2.27 0.00 0.00 179.45 177.29 1re7 h ARG 33 N 0.22 0.00 -0.19 1.90 2.43 -1.37 0.18 114.38 117.54 1re7 h ARG 33 Ca 0.34 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 1re7 h ARG 33 Cb 0.55 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1re7 h ARG 33 CO -0.47 0.10 0.00 0.09 -1.51 0.00 0.00 179.97 178.18 1re7 n ASN 34 N -3.50 3.20 -0.03 -3.80 3.02 0.59 -4.36 115.26 110.39 1re7 n ASN 34 Ca -0.02 -1.99 -0.03 0.00 -0.03 0.00 0.00 54.58 52.51 1re7 n ASN 34 Cb 0.24 -0.11 -0.04 0.00 -0.61 0.00 0.00 39.78 39.25 1re7 n ASN 34 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1re7 n THR 35 N 1.41 0.39 -1.23 3.41 -2.24 -0.65 -5.03 114.28 110.34 1re7 n THR 35 Ca 0.17 -0.21 -0.49 0.00 -2.27 0.00 0.00 64.05 61.25 1re7 n THR 35 Cb 0.60 -0.82 -0.07 0.00 -2.10 0.00 0.00 70.33 67.94 1re7 n THR 35 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1re7 n LEU 36 N -2.35 0.08 -3.11 3.22 7.94 0.56 -2.13 117.00 121.21 1re7 n LEU 36 Ca -0.10 0.94 -0.21 0.00 -1.11 0.00 0.00 56.01 55.53 1re7 n LEU 36 Cb 0.67 -0.74 0.06 0.00 0.53 0.00 0.00 43.42 43.93 1re7 n LEU 36 CO 0.10 -1.47 0.15 0.47 -1.11 0.00 0.00 177.39 175.53 1re7 n ASP 37 N 1.40 -5.90 -3.49 1.96 8.00 0.83 -5.01 116.55 114.35 1re7 n ASP 37 Ca 0.17 -0.41 -0.16 0.00 0.71 0.00 0.00 54.79 55.10 1re7 n ASP 37 Cb 0.05 -4.58 -0.07 0.00 -0.02 0.00 0.00 41.12 36.50 1re7 n ASP 37 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1re7 s LYS 38 N -5.99 1.71 0.19 -1.24 1.02 -0.90 -5.03 119.74 109.49 1re7 s LYS 38 Ca 0.45 -1.83 -0.15 0.00 0.02 0.00 0.00 55.97 54.46 1re7 s LYS 38 Cb -0.20 0.36 -0.07 0.00 -0.52 0.00 0.00 37.83 37.40 1re7 s LYS 38 CO 0.55 -0.65 0.60 -2.14 -0.92 0.00 0.00 175.35 172.79 1re7 s PRO 39 N -3.46 4.01 -0.13 -1.68 0.02 -1.26 -2.84 135.00 129.65 1re7 s PRO 39 Ca 0.36 0.55 -0.01 0.00 0.02 0.00 0.00 61.00 61.92 1re7 s PRO 39 Cb 0.02 -2.84 0.04 0.00 0.02 0.00 0.00 34.50 31.74 1re7 s PRO 39 CO 0.22 0.41 -0.01 0.14 -0.33 0.00 0.00 177.00 177.43 1re7 s VAL 40 N -1.56 0.66 -0.08 3.83 -7.23 -0.97 0.70 120.40 115.74 1re7 s VAL 40 Ca 0.41 -0.30 -0.16 0.00 -1.81 0.00 0.00 61.98 60.12 1re7 s VAL 40 Cb -0.14 -0.91 -0.05 0.00 0.56 0.00 0.00 36.38 35.84 1re7 s VAL 40 CO 0.20 0.10 0.43 -0.63 -0.31 0.00 0.00 175.10 174.89 1re7 s ILE 41 N 1.83 5.13 0.21 -0.62 1.01 0.49 -0.88 121.20 128.37 1re7 s ILE 41 Ca 0.02 0.87 -0.12 0.00 0.00 0.00 0.00 60.65 61.42 1re7 s ILE 41 Cb -0.14 -3.76 -0.00 0.00 0.01 0.00 0.00 42.46 38.56 1re7 s ILE 41 CO -0.07 0.43 0.41 0.00 0.00 0.00 0.00 174.94 175.71 1re7 s MET 42 N -0.04 1.38 0.29 2.79 0.23 -1.15 -0.25 119.30 122.55 1re7 s MET 42 Ca 0.24 -1.18 0.07 0.00 -1.03 0.00 0.00 55.69 53.79 1re7 s MET 42 Cb -0.15 0.44 -0.03 0.00 -1.53 0.00 0.00 34.83 33.55 1re7 s MET 42 CO 0.11 -0.55 0.24 0.20 -2.03 0.00 0.00 175.02 172.98 1re7 s GLY 43 N -2.99 1.60 0.31 3.16 0.00 0.13 -1.99 107.32 107.54 1re7 s GLY 43 Ca 0.19 -1.54 0.04 0.00 0.00 0.00 0.00 44.72 43.41 1re7 s GLY 43 CO 0.04 -1.52 1.59 -0.09 0.00 0.00 0.00 173.10 173.12 1re7 h ARG 44 N 1.38 0.04 -0.54 2.90 2.43 -1.92 0.10 114.38 118.78 1re7 h ARG 44 Ca -0.47 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.66 1re7 h ARG 44 Cb 1.25 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.76 1re7 h ARG 44 CO 0.60 0.03 0.19 0.45 -1.51 0.00 0.00 179.97 179.72 1re7 h HIS 45 N 0.05 0.86 -0.54 2.20 3.86 -1.95 0.23 115.15 119.85 1re7 h HIS 45 Ca 0.62 -0.08 -0.07 0.00 -1.16 0.00 0.00 60.37 59.68 1re7 h HIS 45 Cb 1.32 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 29.52 1re7 h HIS 45 CO -0.39 0.72 0.06 1.15 0.86 0.00 0.00 177.93 180.33 1re7 h THR 46 N 0.75 1.26 -0.29 2.45 2.02 -1.26 -0.16 112.91 117.68 1re7 h THR 46 Ca 0.18 -1.00 0.02 0.00 0.77 0.00 0.00 66.41 66.38 1re7 h THR 46 Cb 0.25 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 1re7 h THR 46 CO -0.01 0.36 0.12 -0.25 0.37 0.00 0.00 175.52 176.11 1re7 h TRP 47 N 0.80 0.22 -0.28 3.16 2.91 -0.47 0.13 115.95 122.42 1re7 h TRP 47 Ca 0.16 0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.22 1re7 h TRP 47 Cb 0.44 -0.06 -0.03 0.00 -0.51 0.00 0.00 29.16 29.01 1re7 h TRP 47 CO 0.03 0.11 0.12 0.93 -1.03 0.00 0.00 178.44 178.60 1re7 h GLU 48 N 0.26 0.25 0.00 2.65 5.08 -0.16 0.32 114.58 122.98 1re7 h GLU 48 Ca 0.12 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 1re7 h GLU 48 Cb 0.07 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1re7 h GLU 48 CO -0.11 0.17 -0.38 0.66 -1.00 0.00 0.00 179.01 178.35 1re7 h SER 49 N 0.26 0.00 -0.00 1.42 4.64 -0.64 -3.01 113.55 116.21 1re7 h SER 49 Ca 0.12 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1re7 h SER 49 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1re7 h SER 49 CO -0.10 0.38 -0.01 0.40 -0.87 0.00 0.00 176.83 176.62 1re7 h ILE 50 N 0.00 1.48 -0.01 0.95 2.04 0.20 -3.48 117.51 118.68 1re7 h ILE 50 Ca -0.00 -1.42 -0.01 0.00 1.00 0.00 0.00 64.86 64.43 1re7 h ILE 50 Cb 0.77 2.43 -0.00 0.00 -0.74 0.00 0.00 36.82 39.27 1re7 h ILE 50 CO 0.05 0.37 -0.01 0.61 0.00 0.00 0.00 178.15 179.17 1re7 n GLY 51 N 0.53 0.47 3.58 5.37 0.00 0.10 -5.00 105.19 110.25 1re7 n GLY 51 Ca -0.09 -0.20 -0.07 0.00 0.00 0.00 0.00 46.02 45.66 1re7 n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1re7 s ARG 52 N -0.53 0.47 0.75 1.61 1.70 -1.26 -5.08 118.95 116.60 1re7 s ARG 52 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 55.73 55.11 1re7 s ARG 52 Cb 0.00 0.22 0.04 0.00 -0.57 0.00 0.00 34.95 34.64 1re7 s ARG 52 CO 0.00 -0.17 1.22 -2.30 -1.08 0.00 0.00 175.30 172.97 1re7 n PRO 53 N 0.38 0.54 -3.13 3.89 -0.02 -1.26 -4.89 135.00 130.51 1re7 n PRO 53 Ca -0.06 0.25 -0.42 0.00 -2.02 0.00 0.00 63.50 61.25 1re7 n PRO 53 Cb 0.59 -2.45 -0.07 0.00 -0.02 0.00 0.00 33.50 31.55 1re7 n PRO 53 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1re7 s LEU 54 N -4.97 4.34 0.28 2.45 1.43 -1.26 -4.96 118.68 115.99 1re7 s LEU 54 Ca 0.77 -0.02 -0.29 0.00 -1.03 0.00 0.00 54.13 53.56 1re7 s LEU 54 Cb -0.33 -2.74 -0.13 0.00 0.03 0.00 0.00 46.19 43.02 1re7 s LEU 54 CO 0.47 -0.63 1.25 -0.81 0.23 0.00 0.00 176.35 176.85 1re7 n PRO 55 N 6.06 1.82 -0.90 1.29 -0.04 -1.26 -2.58 135.00 139.40 1re7 n PRO 55 Ca -0.02 0.64 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 1re7 n PRO 55 Cb 0.48 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 1re7 n PRO 55 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1re7 n GLY 56 N 1.42 0.48 3.18 0.55 0.00 -1.26 -4.90 105.19 104.66 1re7 n GLY 56 Ca 0.09 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 1re7 n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1re7 s ARG 57 N -1.17 0.42 -0.28 1.61 0.52 -1.07 -0.12 118.95 118.87 1re7 s ARG 57 Ca 0.00 0.20 -0.29 0.00 -0.52 0.00 0.00 55.73 55.12 1re7 s ARG 57 Cb 0.00 0.20 -0.01 0.00 0.52 0.00 0.00 34.95 35.66 1re7 s ARG 57 CO 0.00 -0.08 1.43 0.21 0.02 0.00 0.00 175.30 176.88 1re7 s LYS 58 N -0.30 3.85 -0.36 3.54 2.20 -1.13 -4.63 119.74 122.91 1re7 s LYS 58 Ca -0.04 1.39 -0.25 0.00 -0.36 0.00 0.00 55.97 56.71 1re7 s LYS 58 Cb -0.03 -3.95 0.01 0.00 -1.51 0.00 0.00 37.83 32.35 1re7 s LYS 58 CO 0.01 -1.21 0.86 -0.80 -0.36 0.00 0.00 175.35 173.85 1re7 s ASN 59 N 3.40 6.63 -0.07 1.43 0.02 -1.26 -2.30 114.94 122.79 1re7 s ASN 59 Ca 0.62 0.50 -0.07 0.00 -1.02 0.00 0.00 52.86 52.89 1re7 s ASN 59 Cb -0.20 -2.43 -0.04 0.00 0.02 0.00 0.00 41.25 38.60 1re7 s ASN 59 CO 0.26 -0.78 0.20 -0.63 0.02 0.00 0.00 177.10 176.17 1re7 s ILE 60 N 3.27 5.41 -0.03 0.60 1.01 -0.06 -2.18 121.20 129.22 1re7 s ILE 60 Ca 0.35 0.23 0.04 0.00 0.00 0.00 0.00 60.65 61.27 1re7 s ILE 60 Cb -0.13 -3.48 -0.03 0.00 0.01 0.00 0.00 42.46 38.83 1re7 s ILE 60 CO 0.17 0.53 -0.12 -0.63 0.00 0.00 0.00 174.94 174.89 1re7 s ILE 61 N -1.12 3.22 -0.30 2.92 1.09 0.23 -2.94 121.20 124.30 1re7 s ILE 61 Ca 0.20 -0.77 0.02 0.00 -1.10 0.00 0.00 60.65 58.99 1re7 s ILE 61 Cb -0.13 -2.31 0.09 0.00 -1.06 0.00 0.00 42.46 39.05 1re7 s ILE 61 CO 0.09 0.51 0.02 -0.22 -0.10 0.00 0.00 174.94 175.25 1re7 s LEU 62 N -0.99 3.52 0.07 2.97 2.96 -0.84 0.17 118.68 126.53 1re7 s LEU 62 Ca 0.13 -1.73 -0.15 0.00 -0.22 0.00 0.00 54.13 52.16 1re7 s LEU 62 Cb -0.11 -1.33 0.03 0.00 0.50 0.00 0.00 46.19 45.28 1re7 s LEU 62 CO 0.03 -0.34 0.35 -0.55 -1.32 0.00 0.00 176.35 174.51 1re7 s SER 63 N 1.21 -0.17 -0.02 3.68 0.15 -0.85 -3.66 113.70 114.04 1re7 s SER 63 Ca 0.05 -0.21 -0.03 0.00 0.70 0.00 0.00 55.95 56.46 1re7 s SER 63 Cb -0.19 0.40 -0.27 0.00 -1.71 0.00 0.00 66.02 64.25 1re7 s SER 63 CO -0.12 -0.69 0.76 0.28 1.20 0.00 0.00 173.24 174.67 1re7 h SER 64 N 2.93 0.39 -4.32 5.45 0.02 -1.84 -3.31 113.55 112.86 1re7 h SER 64 Ca -0.32 -0.59 -0.51 0.00 -0.84 0.00 0.00 61.79 59.52 1re7 h SER 64 Cb 1.21 -0.13 0.12 0.00 0.14 0.00 0.00 62.40 63.75 1re7 h SER 64 CO 0.46 1.50 0.34 -1.10 -1.14 0.00 0.00 176.83 176.89 1re7 s GLN 65 N -2.60 2.49 0.95 3.45 1.11 -1.26 -5.02 119.66 118.77 1re7 s GLN 65 Ca -0.11 1.09 -0.14 0.00 0.01 0.00 0.00 55.36 56.21 1re7 s GLN 65 Cb 0.07 -1.93 0.21 0.00 -1.01 0.00 0.00 33.01 30.35 1re7 s GLN 65 CO 0.84 -1.46 1.29 -1.25 0.01 0.00 0.00 175.29 174.72 1re7 s PRO 66 N -4.95 0.59 0.02 2.91 0.04 -1.26 -4.97 135.00 127.37 1re7 s PRO 66 Ca 0.60 -0.66 0.00 0.00 0.04 0.00 0.00 61.00 60.98 1re7 s PRO 66 Cb -0.16 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 1re7 s PRO 66 CO 0.56 -2.39 -0.03 0.20 0.04 0.00 0.00 177.00 175.38 1re7 s GLY 67 N -4.93 0.22 -0.04 0.56 0.00 -1.26 -5.04 107.32 96.84 1re7 s GLY 67 Ca 0.75 -0.54 0.03 0.00 0.00 0.00 0.00 44.72 44.97 1re7 s GLY 67 CO 0.52 -0.60 0.69 -0.91 0.00 0.00 0.00 173.10 172.80 1re7 h THR 68 N 4.69 0.93 -2.64 0.90 1.35 -2.00 -3.45 112.91 112.70 1re7 h THR 68 Ca -0.31 -2.69 -0.52 0.00 -0.55 0.00 0.00 66.41 62.33 1re7 h THR 68 Cb 1.21 2.56 0.04 0.00 -1.73 0.00 0.00 68.15 70.23 1re7 h THR 68 CO 0.42 0.71 1.03 -0.62 -0.25 0.00 0.00 175.52 176.81 1re7 s ASP 69 N -6.60 6.45 0.00 5.36 -1.08 -1.26 -4.81 116.67 114.73 1re7 s ASP 69 Ca -0.10 2.75 0.24 0.00 -0.52 0.00 0.00 52.55 54.92 1re7 s ASP 69 Cb 0.07 -2.58 0.34 0.00 -1.46 0.00 0.00 42.92 39.30 1re7 s ASP 69 CO 0.82 -0.95 1.35 -0.90 0.52 0.00 0.00 175.17 176.00 1re7 n ASP 70 N 4.82 3.06 -0.41 -0.34 5.75 -1.26 -4.05 116.55 124.12 1re7 n ASP 70 Ca 0.16 -1.96 0.14 0.00 -0.01 0.00 0.00 54.79 53.12 1re7 n ASP 70 Cb 0.37 -0.10 0.50 0.00 -1.03 0.00 0.00 41.12 40.87 1re7 n ASP 70 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1re7 n ARG 71 N 1.31 1.44 -4.20 0.11 1.74 -1.26 -4.86 116.66 110.93 1re7 n ARG 71 Ca 0.16 -0.82 -0.12 0.00 -0.77 0.00 0.00 57.85 56.30 1re7 n ARG 71 Cb 0.58 -1.48 -0.10 0.00 -1.02 0.00 0.00 32.46 30.44 1re7 n ARG 71 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1re7 s VAL 72 N -2.13 0.42 -0.15 1.55 -7.23 -1.26 -4.82 120.40 106.79 1re7 s VAL 72 Ca 0.35 -1.95 -0.09 0.00 -1.81 0.00 0.00 61.98 58.48 1re7 s VAL 72 Cb 0.21 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.99 1re7 s VAL 72 CO 0.38 -0.45 0.15 -0.89 -0.31 0.00 0.00 175.10 173.99 1re7 s THR 73 N -3.83 5.45 -0.10 5.32 2.01 -0.93 -4.97 115.64 118.59 1re7 s THR 73 Ca 0.25 0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.49 1re7 s THR 73 Cb 0.07 -3.45 -0.02 0.00 0.01 0.00 0.00 72.50 69.11 1re7 s THR 73 CO 0.03 0.54 -0.09 0.26 -0.69 0.00 0.00 174.62 174.68 1re7 s TRP 74 N -0.46 2.88 0.42 4.92 0.52 -1.26 0.76 118.94 126.72 1re7 s TRP 74 Ca 0.13 -0.24 0.06 0.00 0.02 0.00 0.00 56.10 56.07 1re7 s TRP 74 Cb -0.12 -1.78 -0.07 0.00 -1.15 0.00 0.00 33.47 30.36 1re7 s TRP 74 CO 0.02 0.10 0.02 0.14 0.02 0.00 0.00 176.95 177.24 1re7 s VAL 75 N -0.27 1.76 0.00 4.03 -7.23 0.44 -4.87 120.40 114.25 1re7 s VAL 75 Ca 0.03 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 1re7 s VAL 75 Cb -0.13 -2.83 0.00 0.00 0.56 0.00 0.00 36.38 33.98 1re7 s VAL 75 CO 0.03 0.00 0.07 0.29 -0.31 0.00 0.00 175.10 175.18 1re7 n LYS 76 N -0.99 3.74 -3.31 4.82 4.76 -1.25 -2.01 118.16 123.93 1re7 n LYS 76 Ca -0.07 -0.07 -0.12 0.00 -2.87 0.00 0.00 58.31 55.18 1re7 n LYS 76 Cb 0.67 -0.45 -0.05 0.00 -1.84 0.00 0.00 35.03 33.36 1re7 n LYS 76 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1re7 n SER 77 N -0.55 -0.32 0.03 4.39 3.41 -1.26 -4.71 113.62 114.60 1re7 n SER 77 Ca 0.00 -2.28 -0.19 0.00 -0.26 0.00 0.00 58.87 56.14 1re7 n SER 77 Cb 0.02 0.95 -0.14 0.00 -0.26 0.00 0.00 64.21 64.78 1re7 n SER 77 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1re7 h VAL 78 N 1.61 1.55 -0.21 -3.33 2.07 -1.99 -3.12 116.25 112.83 1re7 h VAL 78 Ca -0.14 -2.51 -0.03 0.00 0.82 0.00 0.00 66.70 64.84 1re7 h VAL 78 Cb 0.70 3.23 -0.01 0.00 -1.52 0.00 0.00 31.29 33.68 1re7 h VAL 78 CO 0.20 0.70 -0.00 0.44 0.02 0.00 0.00 177.57 178.93 1re7 h ASP 79 N -0.47 0.28 0.50 0.57 3.32 -1.99 -1.12 116.42 117.51 1re7 h ASP 79 Ca -0.12 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 56.87 1re7 h ASP 79 Cb 1.54 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 41.03 1re7 h ASP 79 CO 0.13 0.33 -0.24 -0.33 -1.72 0.00 0.00 179.24 177.41 1re7 h GLU 80 N 0.30 -0.65 -0.97 3.56 5.08 -1.97 -2.36 114.58 117.57 1re7 h GLU 80 Ca 0.07 0.04 0.15 0.00 -1.00 0.00 0.00 59.36 58.62 1re7 h GLU 80 Cb 0.21 0.15 -0.16 0.00 0.50 0.00 0.00 28.75 29.45 1re7 h GLU 80 CO 0.00 -0.40 -0.38 0.00 -1.00 0.00 0.00 179.01 177.23 1re7 n ALA 81 N -2.70 -0.12 -0.27 3.43 0.00 -1.17 0.16 120.51 119.85 1re7 n ALA 81 Ca -0.09 0.96 -0.03 0.00 0.00 0.00 0.00 53.44 54.28 1re7 n ALA 81 Cb 0.28 -0.43 0.08 0.00 0.00 0.00 0.00 19.45 19.38 1re7 n ALA 81 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1re7 h ILE 82 N 0.00 1.14 0.06 0.00 2.04 -1.24 -1.69 117.51 117.81 1re7 h ILE 82 Ca 0.34 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 1re7 h ILE 82 Cb 0.58 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1re7 h ILE 82 CO -0.96 0.17 -0.03 0.00 0.00 0.00 0.00 178.15 177.33 1re7 h ALA 83 N 1.30 -0.08 -0.85 1.87 0.00 0.22 -2.64 119.26 119.07 1re7 h ALA 83 Ca 0.29 -0.04 0.20 0.00 0.00 0.00 0.00 54.91 55.35 1re7 h ALA 83 Cb -0.03 0.03 -0.16 0.00 0.00 0.00 0.00 17.79 17.64 1re7 h ALA 83 CO -0.09 -0.52 -0.07 0.00 0.00 0.00 0.00 179.25 178.57 1re7 h ALA 84 N 0.80 0.80 -0.98 0.00 0.00 0.33 0.89 119.26 121.11 1re7 h ALA 84 Ca -0.01 0.30 0.21 0.00 0.00 0.00 0.00 54.91 55.41 1re7 h ALA 84 Cb 0.11 0.54 -0.11 0.00 0.00 0.00 0.00 17.79 18.33 1re7 h ALA 84 CO 0.01 -0.45 0.57 0.00 0.00 0.00 0.00 179.25 179.39 1re7 n GLY 86 N -1.32 -1.80 3.38 0.00 0.00 0.31 -4.70 105.19 101.05 1re7 n GLY 86 Ca 0.24 -1.83 -0.44 0.00 0.00 0.00 0.00 46.02 43.99 1re7 n GLY 86 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1re7 n ASP 87 N 0.22 5.33 -4.36 1.61 -0.08 -1.26 -4.94 116.55 113.07 1re7 n ASP 87 Ca 0.00 -3.01 -0.19 0.00 -1.51 0.00 0.00 54.79 50.08 1re7 n ASP 87 Cb 0.00 -1.51 -0.10 0.00 2.34 0.00 0.00 41.12 41.85 1re7 n ASP 87 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1re7 s VAL 88 N 0.60 1.62 0.20 5.18 -7.23 -1.26 -5.04 120.40 114.47 1re7 s VAL 88 Ca 0.39 -2.16 0.08 0.00 -1.81 0.00 0.00 61.98 58.48 1re7 s VAL 88 Cb -0.04 -2.18 -0.12 0.00 0.56 0.00 0.00 36.38 34.60 1re7 s VAL 88 CO -0.02 -0.49 1.45 1.55 -0.31 0.00 0.00 175.10 177.28 1re7 h PRO 89 N 2.48 0.01 -2.20 4.82 0.13 -1.94 -3.39 132.00 131.91 1re7 h PRO 89 Ca -0.39 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1re7 h PRO 89 Cb 1.22 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.13 1re7 h PRO 89 CO 0.64 0.81 -0.17 -2.00 -0.23 0.00 0.00 178.00 177.05 1re7 s GLU 90 N -3.17 0.53 -0.10 0.86 2.12 -1.26 -3.04 118.70 114.64 1re7 s GLU 90 Ca -0.00 1.23 -0.06 0.00 0.36 0.00 0.00 54.97 56.49 1re7 s GLU 90 Cb 0.11 0.47 -0.04 0.00 0.26 0.00 0.00 34.13 34.94 1re7 s GLU 90 CO 0.79 -0.20 0.15 0.42 -0.54 0.00 0.00 175.26 175.88 1re7 s ILE 91 N 2.36 5.49 -0.11 -3.70 1.01 -0.34 -4.18 121.20 121.73 1re7 s ILE 91 Ca -0.06 0.14 0.02 0.00 0.00 0.00 0.00 60.65 60.74 1re7 s ILE 91 Cb -0.10 -3.42 0.01 0.00 0.01 0.00 0.00 42.46 38.97 1re7 s ILE 91 CO -0.17 0.57 -0.16 -0.04 0.00 0.00 0.00 174.94 175.14 1re7 s MET 92 N -1.19 2.28 -0.33 2.79 -1.94 0.22 -2.26 119.30 118.87 1re7 s MET 92 Ca 0.17 -0.58 -0.21 0.00 -1.71 0.00 0.00 55.69 53.36 1re7 s MET 92 Cb -0.12 -1.94 -0.00 0.00 2.01 0.00 0.00 34.83 34.78 1re7 s MET 92 CO 0.07 -0.07 0.69 0.08 -0.01 0.00 0.00 175.02 175.78 1re7 s VAL 93 N 1.01 4.86 -1.87 -6.03 1.01 0.14 -0.38 120.40 119.14 1re7 s VAL 93 Ca -0.06 0.87 0.20 0.00 0.00 0.00 0.00 61.98 62.99 1re7 s VAL 93 Cb -0.15 -4.08 0.50 0.00 0.00 0.00 0.00 36.38 32.64 1re7 s VAL 93 CO -0.02 -0.25 1.42 2.30 0.00 0.00 0.00 175.10 178.54 1re7 n ILE 94 N 5.54 0.82 0.00 2.22 -5.35 0.65 -2.52 119.36 120.73 1re7 n ILE 94 Ca 0.01 -0.91 0.00 0.00 -0.27 0.00 0.00 62.75 61.57 1re7 n ILE 94 Cb 0.48 0.66 0.00 0.00 -1.74 0.00 0.00 39.64 39.05 1re7 n ILE 94 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1re7 n GLY 95 N 1.34 2.49 0.00 3.28 0.00 -1.25 -4.96 105.19 106.09 1re7 n GLY 95 Ca 0.20 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1re7 n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1re7 n GLY 96 N -0.12 1.19 0.13 -0.02 0.00 -1.26 -0.69 105.19 104.41 1re7 n GLY 96 Ca 0.00 -1.51 -0.07 0.00 0.00 0.00 0.00 46.02 44.44 1re7 n GLY 96 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1re7 h GLY 97 N 0.00 0.25 0.90 -0.02 0.00 -1.97 -0.81 103.07 101.42 1re7 h GLY 97 Ca 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 1re7 h GLY 97 CO 0.00 -0.09 -0.01 -0.09 0.00 0.00 0.00 176.54 176.35 1re7 h ARG 98 N 0.05 -0.03 -0.95 4.80 2.43 -1.96 0.15 114.38 118.87 1re7 h ARG 98 Ca 0.14 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.43 1re7 h ARG 98 Cb 0.20 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.67 1re7 h ARG 98 CO -0.27 0.08 0.57 0.28 -1.51 0.00 0.00 179.97 179.13 1re7 h VAL 99 N -0.13 0.89 -0.54 0.20 2.07 -1.87 0.31 116.25 117.18 1re7 h VAL 99 Ca -0.00 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.22 1re7 h VAL 99 Cb 0.12 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 29.77 1re7 h VAL 99 CO 0.00 0.16 0.34 1.88 0.02 0.00 0.00 177.57 179.98 1re7 h TYR 100 N 0.90 0.63 -0.01 1.57 0.05 -0.68 -0.64 116.97 118.79 1re7 h TYR 100 Ca 0.47 0.02 0.02 0.00 0.05 0.00 0.00 58.73 59.29 1re7 h TYR 100 Cb 0.49 -0.21 -0.05 0.00 1.01 0.00 0.00 36.73 37.97 1re7 h TYR 100 CO -0.03 0.38 -0.46 0.93 -1.05 0.00 0.00 178.16 177.94 1re7 h GLU 101 N 0.67 -0.54 -0.35 4.88 5.08 0.24 0.11 114.58 124.67 1re7 h GLU 101 Ca 0.21 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.68 1re7 h GLU 101 Cb -0.02 0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.29 1re7 h GLU 101 CO -0.07 -0.36 -0.08 1.96 -1.00 0.00 0.00 179.01 179.45 1re7 h GLN 102 N -0.56 0.01 -0.06 2.33 4.20 -0.72 -2.70 115.11 117.61 1re7 h GLN 102 Ca 0.01 -0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.60 1re7 h GLN 102 Cb 0.61 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 1re7 h GLN 102 CO -0.31 0.00 -0.52 0.74 -0.67 0.00 0.00 178.83 178.08 1re7 h PHE 103 N 0.01 0.18 -0.65 2.96 -1.00 -0.95 -3.36 116.94 114.12 1re7 h PHE 103 Ca 0.17 -0.06 0.06 0.00 2.81 0.00 0.00 57.97 60.95 1re7 h PHE 103 Cb 0.26 -0.04 -0.08 0.00 3.61 0.00 0.00 35.95 39.70 1re7 h PHE 103 CO -0.32 0.64 -0.39 -0.11 -1.61 0.00 0.00 178.31 176.52 1re7 n LEU 104 N -3.93 -0.69 0.30 1.54 7.94 0.36 0.96 117.00 123.48 1re7 n LEU 104 Ca -0.02 1.32 0.15 0.00 -1.11 0.00 0.00 56.01 56.36 1re7 n LEU 104 Cb 0.55 -0.23 0.83 0.00 0.53 0.00 0.00 43.42 45.09 1re7 n LEU 104 CO 0.42 -1.03 1.07 1.55 -1.11 0.00 0.00 177.39 178.30 1re7 h PRO 105 N 0.00 0.00 0.00 1.96 0.14 -1.73 -1.99 132.00 130.38 1re7 h PRO 105 Ca 0.10 0.00 -0.21 0.00 0.14 0.00 0.00 66.00 66.04 1re7 h PRO 105 Cb 0.27 0.00 -0.04 0.00 0.14 0.00 0.00 31.00 31.37 1re7 h PRO 105 CO -0.62 0.00 -1.93 1.63 0.14 0.00 0.00 178.00 177.22 1re7 n LYS 106 N -2.77 0.66 -1.69 0.86 5.02 0.27 -4.98 118.16 115.54 1re7 n LYS 106 Ca -0.02 0.03 -0.37 0.00 -2.02 0.00 0.00 58.31 55.93 1re7 n LYS 106 Cb 0.28 -1.63 0.06 0.00 -0.02 0.00 0.00 35.03 33.72 1re7 n LYS 106 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1re7 n ALA 107 N -2.50 0.79 -0.06 7.82 0.00 -0.72 -4.52 120.51 121.32 1re7 n ALA 107 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1re7 n ALA 107 Cb 0.90 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 18.11 1re7 n ALA 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1re7 n GLN 108 N -1.55 2.71 -3.60 0.00 1.13 0.63 -4.93 117.38 111.78 1re7 n GLN 108 Ca 0.15 -0.21 -0.13 0.00 -1.94 0.00 0.00 57.00 54.87 1re7 n GLN 108 Cb 0.48 -0.68 -0.07 0.00 0.11 0.00 0.00 30.24 30.08 1re7 n GLN 108 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 1re7 s LYS 109 N -0.45 0.75 -0.02 -1.09 2.20 -1.23 -0.96 119.74 118.94 1re7 s LYS 109 Ca 0.00 0.60 0.06 0.00 -0.36 0.00 0.00 55.97 56.28 1re7 s LYS 109 Cb 0.00 0.36 -0.02 0.00 -1.51 0.00 0.00 37.83 36.66 1re7 s LYS 109 CO 0.00 -0.15 -0.21 -0.51 -0.36 0.00 0.00 175.35 174.13 1re7 s LEU 110 N -0.20 2.03 -0.24 5.43 1.43 -0.35 -1.91 118.68 124.88 1re7 s LEU 110 Ca -0.02 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.72 1re7 s LEU 110 Cb -0.03 -1.07 0.06 0.00 0.03 0.00 0.00 46.19 45.17 1re7 s LEU 110 CO 0.01 0.25 -0.08 -0.31 0.23 0.00 0.00 176.35 176.45 1re7 s TYR 111 N -0.45 2.66 -0.01 0.29 1.51 0.38 -1.78 117.35 119.95 1re7 s TYR 111 Ca 0.07 -1.90 0.06 0.00 -1.01 0.00 0.00 57.07 54.29 1re7 s TYR 111 Cb -0.08 -1.69 -0.02 0.00 -0.11 0.00 0.00 41.96 40.06 1re7 s TYR 111 CO -0.01 -0.80 -0.20 -0.51 -1.11 0.00 0.00 175.55 172.92 1re7 s LEU 112 N 1.31 2.06 -0.18 -1.29 1.43 -0.54 0.84 118.68 122.30 1re7 s LEU 112 Ca -0.06 -0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 52.64 1re7 s LEU 112 Cb -0.19 -1.01 -0.01 0.00 0.03 0.00 0.00 46.19 45.01 1re7 s LEU 112 CO -0.06 0.23 -0.08 -0.89 0.23 0.00 0.00 176.35 175.78 1re7 s THR 113 N -0.51 3.22 -0.43 5.49 2.01 -0.01 -0.16 115.64 125.25 1re7 s THR 113 Ca 0.08 -0.57 -0.14 0.00 0.31 0.00 0.00 61.69 61.37 1re7 s THR 113 Cb -0.08 -2.42 0.05 0.00 0.01 0.00 0.00 72.50 70.06 1re7 s THR 113 CO -0.00 0.47 0.32 -1.00 -0.69 0.00 0.00 174.62 173.72 1re7 s HIS 114 N 0.98 3.25 0.21 4.92 0.09 0.27 0.12 115.29 125.13 1re7 s HIS 114 Ca -0.01 -0.89 -0.08 0.00 -0.00 0.00 0.00 55.06 54.09 1re7 s HIS 114 Cb -0.15 -2.83 -0.07 0.00 -0.00 0.00 0.00 32.58 29.53 1re7 s HIS 114 CO -0.00 -0.71 0.50 0.42 -0.00 0.00 0.00 174.74 174.94 1re7 s ILE 115 N 1.62 5.01 -1.20 0.60 1.01 0.35 -1.89 121.20 126.69 1re7 s ILE 115 Ca 0.04 0.32 -0.08 0.00 0.00 0.00 0.00 60.65 60.93 1re7 s ILE 115 Cb -0.22 -3.62 0.22 0.00 0.01 0.00 0.00 42.46 38.85 1re7 s ILE 115 CO 0.07 -0.05 1.67 0.47 0.00 0.00 0.00 174.94 177.11 1re7 n ASP 116 N -0.10 5.54 -3.77 3.58 8.00 -0.55 -4.04 116.55 125.20 1re7 n ASP 116 Ca -0.00 -3.19 -0.13 0.00 0.71 0.00 0.00 54.79 52.18 1re7 n ASP 116 Cb 0.52 -1.42 -0.12 0.00 -0.02 0.00 0.00 41.12 40.08 1re7 n ASP 116 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1re7 s ALA 117 N -0.57 -0.56 -0.45 2.24 0.00 -1.26 -4.70 121.76 116.46 1re7 s ALA 117 Ca 0.37 0.75 -0.17 0.00 0.00 0.00 0.00 51.96 52.90 1re7 s ALA 117 Cb 0.06 -0.45 0.04 0.00 0.00 0.00 0.00 23.12 22.77 1re7 s ALA 117 CO 0.03 -0.13 0.46 -1.21 0.00 0.00 0.00 175.76 174.90 1re7 s GLU 118 N 0.46 3.06 0.03 0.00 2.02 -1.26 -0.18 118.70 122.83 1re7 s GLU 118 Ca -0.03 -0.96 0.04 0.00 0.02 0.00 0.00 54.97 54.05 1re7 s GLU 118 Cb -0.04 -4.04 -0.02 0.00 0.10 0.00 0.00 34.13 30.13 1re7 s GLU 118 CO -0.02 -0.97 -0.13 0.14 0.02 0.00 0.00 175.26 174.30 1re7 s VAL 119 N 2.08 1.04 -0.58 2.63 -7.23 -1.26 -5.03 120.40 112.05 1re7 s VAL 119 Ca 0.10 -0.86 -0.20 0.00 -1.81 0.00 0.00 61.98 59.20 1re7 s VAL 119 Cb -0.19 -0.93 0.08 0.00 0.56 0.00 0.00 36.38 35.89 1re7 s VAL 119 CO 0.11 0.06 0.78 -0.70 -0.31 0.00 0.00 175.10 175.04 1re7 s GLU 120 N -0.91 3.11 0.47 4.82 2.12 -1.26 -4.95 118.70 122.10 1re7 s GLU 120 Ca 0.02 -0.96 0.07 0.00 0.36 0.00 0.00 54.97 54.46 1re7 s GLU 120 Cb -0.07 -4.19 0.01 0.00 0.26 0.00 0.00 34.13 30.14 1re7 s GLU 120 CO 0.01 -1.52 0.46 0.20 -0.54 0.00 0.00 175.26 173.87 1re7 s GLY 121 N 3.30 2.12 -0.21 -1.50 0.00 -1.26 -4.95 107.32 104.83 1re7 s GLY 121 Ca 0.17 -1.76 -0.12 0.00 0.00 0.00 0.00 44.72 43.01 1re7 s GLY 121 CO 0.10 -1.74 0.05 1.22 0.00 0.00 0.00 173.10 172.73 1re7 n ASP 122 N -1.73 1.97 -4.85 1.64 8.00 -0.65 -5.00 116.55 115.92 1re7 n ASP 122 Ca 0.04 0.26 -0.37 0.00 0.71 0.00 0.00 54.79 55.44 1re7 n ASP 122 Cb 0.62 -0.82 -0.06 0.00 -0.02 0.00 0.00 41.12 40.84 1re7 n ASP 122 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1re7 s THR 123 N -2.47 5.40 0.31 -3.53 -4.23 -1.00 -5.03 115.64 105.10 1re7 s THR 123 Ca -0.30 0.17 0.09 0.00 -1.18 0.00 0.00 61.69 60.47 1re7 s THR 123 Cb 0.09 -3.35 -0.06 0.00 1.34 0.00 0.00 72.50 70.51 1re7 s THR 123 CO 0.62 0.61 -0.11 -1.00 -0.54 0.00 0.00 174.62 174.19 1re7 s HIS 124 N -0.93 2.23 0.04 3.99 3.76 -1.26 0.16 115.29 123.28 1re7 s HIS 124 Ca 0.14 -0.52 -0.23 0.00 -0.15 0.00 0.00 55.06 54.31 1re7 s HIS 124 Cb -0.12 -1.21 -0.06 0.00 1.11 0.00 0.00 32.58 32.30 1re7 s HIS 124 CO 0.04 0.53 0.68 0.12 -0.85 0.00 0.00 174.74 175.25 1re7 s PHE 125 N -2.71 3.73 0.80 1.40 2.19 0.14 -4.73 117.98 118.81 1re7 s PHE 125 Ca 0.31 1.36 -0.16 0.00 0.33 0.00 0.00 56.93 58.77 1re7 s PHE 125 Cb 0.01 -2.71 -0.05 0.00 -1.31 0.00 0.00 43.02 38.96 1re7 s PHE 125 CO 0.15 0.35 0.20 -0.35 1.83 0.00 0.00 175.22 177.40 1re7 n PRO 126 N 2.59 0.07 -3.01 10.12 -0.05 -1.26 -4.88 135.00 138.59 1re7 n PRO 126 Ca -0.05 0.06 -0.40 0.00 -0.05 0.00 0.00 63.50 63.05 1re7 n PRO 126 Cb 0.50 -1.61 -0.05 0.00 -0.05 0.00 0.00 33.50 32.30 1re7 n PRO 126 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 175.50 175.79 1re7 s ASP 127 N -1.47 6.90 0.09 3.54 2.15 -1.26 -5.01 116.67 121.61 1re7 s ASP 127 Ca 0.58 1.09 0.07 0.00 0.43 0.00 0.00 52.55 54.72 1re7 s ASP 127 Cb -0.30 -2.41 -0.03 0.00 -0.30 0.00 0.00 42.92 39.87 1re7 s ASP 127 CO 0.65 -0.26 -0.19 -0.72 -0.17 0.00 0.00 175.17 174.49 1re7 s TYR 128 N 1.56 1.60 -0.40 -5.34 1.13 -1.26 -5.10 117.35 109.54 1re7 s TYR 128 Ca 0.35 -0.43 -0.21 0.00 -1.41 0.00 0.00 57.07 55.37 1re7 s TYR 128 Cb -0.17 -0.88 0.01 0.00 -1.10 0.00 0.00 41.96 39.83 1re7 s TYR 128 CO 0.14 0.16 0.66 -2.00 -2.51 0.00 0.00 175.55 172.00 1re7 s GLU 129 N -1.87 3.48 0.42 -3.49 2.12 -1.26 -4.92 118.70 113.18 1re7 s GLU 129 Ca 0.04 -0.14 0.24 0.00 0.36 0.00 0.00 54.97 55.47 1re7 s GLU 129 Cb -0.10 -3.88 1.26 0.00 0.26 0.00 0.00 34.13 31.67 1re7 s GLU 129 CO 0.04 -0.90 1.71 -1.35 -0.54 0.00 0.00 175.26 174.22 1re7 h PRO 130 N 8.70 0.24 0.00 4.30 0.11 -1.99 0.35 132.00 143.71 1re7 h PRO 130 Ca -0.26 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.76 1re7 h PRO 130 Cb 1.10 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1re7 h PRO 130 CO 0.87 0.16 -0.37 0.22 -0.21 0.00 0.00 178.00 178.67 1re7 h ASP 131 N 0.24 0.00 -0.01 -2.05 3.58 -2.04 -0.52 116.42 115.62 1re7 h ASP 131 Ca 0.69 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.14 1re7 h ASP 131 Cb 2.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.05 1re7 h ASP 131 CO -0.34 0.37 0.00 0.47 -2.88 0.00 0.00 179.24 176.86 1re7 n ASP 132 N -4.06 0.15 -4.25 2.28 8.00 0.11 -4.77 116.55 114.02 1re7 n ASP 132 Ca -0.02 -1.44 -0.22 0.00 0.71 0.00 0.00 54.79 53.82 1re7 n ASP 132 Cb 0.41 -0.01 -0.12 0.00 -0.02 0.00 0.00 41.12 41.38 1re7 n ASP 132 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1re7 s TRP 133 N -1.98 1.59 -0.10 1.24 0.52 -0.20 -1.98 118.94 118.02 1re7 s TRP 133 Ca 0.28 -0.43 0.03 0.00 0.02 0.00 0.00 56.10 56.00 1re7 s TRP 133 Cb 0.13 -0.88 -0.01 0.00 -1.15 0.00 0.00 33.47 31.56 1re7 s TRP 133 CO 0.22 0.15 -0.20 -2.00 0.02 0.00 0.00 176.95 175.15 1re7 s GLU 134 N -1.83 3.08 -0.11 4.98 2.12 -0.52 -4.88 118.70 121.55 1re7 s GLU 134 Ca 0.04 -0.80 -0.30 0.00 0.36 0.00 0.00 54.97 54.27 1re7 s GLU 134 Cb -0.10 -2.41 -0.02 0.00 0.26 0.00 0.00 34.13 31.86 1re7 s GLU 134 CO 0.03 0.24 1.10 0.45 -0.54 0.00 0.00 175.26 176.55 1re7 s SER 135 N 0.22 7.13 -0.07 -1.70 0.15 -1.26 -1.26 113.70 116.92 1re7 s SER 135 Ca -0.12 1.63 0.17 0.00 0.70 0.00 0.00 55.95 58.33 1re7 s SER 135 Cb -0.16 -2.55 -0.26 0.00 -1.71 0.00 0.00 66.02 61.33 1re7 s SER 135 CO 0.07 -0.55 0.29 1.33 1.20 0.00 0.00 173.24 175.58 1re7 n VAL 136 N 4.72 0.38 -3.60 4.45 0.24 0.17 -4.96 118.33 119.73 1re7 n VAL 136 Ca 0.10 -0.51 -0.12 0.00 -2.04 0.00 0.00 64.34 61.77 1re7 n VAL 136 Cb 0.47 -0.12 -0.06 0.00 -1.47 0.00 0.00 33.84 32.66 1re7 n VAL 136 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1re7 s PHE 137 N -2.99 -0.53 -0.15 6.34 2.19 -0.92 -4.94 117.98 116.98 1re7 s PHE 137 Ca -0.07 1.14 -0.17 0.00 0.33 0.00 0.00 56.93 58.16 1re7 s PHE 137 Cb 0.10 0.38 0.04 0.00 -1.31 0.00 0.00 43.02 42.23 1re7 s PHE 137 CO 0.74 -0.35 0.46 -1.54 1.83 0.00 0.00 175.22 176.35 1re7 s SER 138 N -0.37 -0.46 -0.26 6.13 1.04 -1.23 0.07 113.70 118.62 1re7 s SER 138 Ca -0.01 0.82 -0.07 0.00 0.48 0.00 0.00 55.95 57.17 1re7 s SER 138 Cb -0.03 0.85 0.13 0.00 0.10 0.00 0.00 66.02 67.07 1re7 s SER 138 CO 0.00 -0.22 0.54 -0.70 0.98 0.00 0.00 173.24 173.84 1re7 s GLU 139 N -0.02 0.47 0.07 4.02 2.12 0.83 -4.95 118.70 121.24 1re7 s GLU 139 Ca -0.02 1.16 -0.17 0.00 0.36 0.00 0.00 54.97 56.30 1re7 s GLU 139 Cb -0.03 0.52 -0.06 0.00 0.26 0.00 0.00 34.13 34.82 1re7 s GLU 139 CO 0.02 -0.33 0.52 0.12 -0.54 0.00 0.00 175.26 175.05 1re7 s PHE 140 N 2.77 3.74 -0.01 5.30 5.36 -1.26 0.29 117.98 134.17 1re7 s PHE 140 Ca 0.01 1.15 0.00 0.00 -0.96 0.00 0.00 56.93 57.14 1re7 s PHE 140 Cb -0.13 -2.41 0.01 0.00 -0.34 0.00 0.00 43.02 40.15 1re7 s PHE 140 CO -0.17 0.57 -0.01 -1.01 -1.46 0.00 0.00 175.22 173.14 1re7 s HIS 141 N -1.19 0.14 0.47 10.12 3.76 0.22 -4.96 115.29 123.86 1re7 s HIS 141 Ca 0.30 0.00 -0.06 0.00 -0.15 0.00 0.00 55.06 55.15 1re7 s HIS 141 Cb -0.18 -0.16 -0.04 0.00 1.11 0.00 0.00 32.58 33.31 1re7 s HIS 141 CO 0.18 -0.04 0.79 -0.51 -0.85 0.00 0.00 174.74 174.31 1re7 s ASP 142 N 0.30 6.30 0.94 1.40 1.11 -1.26 -0.00 116.67 125.45 1re7 s ASP 142 Ca -0.03 0.97 -0.11 0.00 0.18 0.00 0.00 52.55 53.56 1re7 s ASP 142 Cb -0.05 -2.26 0.12 0.00 1.07 0.00 0.00 42.92 41.80 1re7 s ASP 142 CO -0.01 -0.56 0.90 0.00 1.18 0.00 0.00 175.17 176.69 1re7 n ALA 143 N -2.13 -1.45 -3.00 5.23 0.00 -1.25 -4.74 120.51 113.17 1re7 n ALA 143 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1re7 n ALA 143 Cb 0.55 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.93 1re7 n ALA 143 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1re7 n ASP 144 N -3.33 0.00 0.00 0.00 5.68 0.38 -4.95 116.55 114.33 1re7 n ASP 144 Ca 0.10 -0.24 0.06 0.00 -0.50 0.00 0.00 54.79 54.20 1re7 n ASP 144 Cb 0.53 0.00 0.27 0.00 -1.14 0.00 0.00 41.12 40.78 1re7 n ASP 144 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1re7 n ALA 145 N -3.00 1.63 -0.01 2.12 0.00 -1.26 -3.76 120.51 116.23 1re7 n ALA 145 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 53.44 53.36 1re7 n ALA 145 Cb 0.00 -1.19 -0.01 0.00 0.00 0.00 0.00 19.45 18.25 1re7 n ALA 145 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1re7 n GLN 146 N -1.37 0.07 -3.15 0.00 6.02 -1.26 -4.98 117.38 112.71 1re7 n GLN 146 Ca 0.04 0.03 -0.40 0.00 -0.01 0.00 0.00 57.00 56.67 1re7 n GLN 146 Cb 0.11 -0.62 -0.06 0.00 1.02 0.00 0.00 30.24 30.69 1re7 n GLN 146 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1re7 s ASN 147 N -5.41 6.68 0.00 1.08 0.01 -1.25 -4.61 114.94 111.44 1re7 s ASN 147 Ca -0.05 0.82 0.18 0.00 -0.71 0.00 0.00 52.86 53.10 1re7 s ASN 147 Cb 0.02 -2.34 0.80 0.00 0.41 0.00 0.00 41.25 40.14 1re7 s ASN 147 CO 0.06 -0.22 1.56 -1.54 -1.51 0.00 0.00 177.10 175.45 1re7 n SER 148 N 4.81 0.00 -3.87 -1.22 3.41 0.10 -0.47 113.62 116.38 1re7 n SER 148 Ca -0.02 0.37 -0.09 0.00 -0.26 0.00 0.00 58.87 58.86 1re7 n SER 148 Cb 0.50 -0.44 -0.08 0.00 -0.26 0.00 0.00 64.21 63.93 1re7 n SER 148 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1re7 s HIS 149 N -2.88 0.15 0.48 7.33 3.76 -1.26 -4.88 115.29 117.99 1re7 s HIS 149 Ca 0.11 -0.54 -0.14 0.00 -0.15 0.00 0.00 55.06 54.34 1re7 s HIS 149 Cb 0.12 -0.07 -0.07 0.00 1.11 0.00 0.00 32.58 33.66 1re7 s HIS 149 CO 0.31 -0.51 0.91 -1.54 -0.85 0.00 0.00 174.74 173.06 1re7 s SER 150 N -2.68 6.56 0.21 1.40 1.04 -1.26 -3.94 113.70 115.04 1re7 s SER 150 Ca 0.03 1.40 -0.19 0.00 0.48 0.00 0.00 55.95 57.66 1re7 s SER 150 Cb 0.04 -2.44 0.03 0.00 0.10 0.00 0.00 66.02 63.75 1re7 s SER 150 CO -0.09 -0.54 0.59 -0.72 0.98 0.00 0.00 173.24 173.46 1re7 s TYR 151 N -2.57 -0.20 -0.00 5.02 1.13 1.00 -1.48 117.35 120.24 1re7 s TYR 151 Ca 0.56 -0.14 -0.00 0.00 -1.41 0.00 0.00 57.07 56.08 1re7 s TYR 151 Cb -0.10 0.50 0.00 0.00 -1.10 0.00 0.00 41.96 41.26 1re7 s TYR 151 CO 0.33 -0.99 0.01 0.00 -2.51 0.00 0.00 175.55 172.39 1re7 s PHE 153 N 0.14 3.46 0.03 0.00 0.08 0.14 0.95 117.98 122.79 1re7 s PHE 153 Ca -0.01 0.64 0.02 0.00 0.12 0.00 0.00 56.93 57.70 1re7 s PHE 153 Cb -0.02 -2.40 -0.02 0.00 -0.57 0.00 0.00 43.02 40.02 1re7 s PHE 153 CO -0.00 0.20 -0.07 -2.00 -0.10 0.00 0.00 175.22 173.25 1re7 s GLU 154 N 0.60 0.47 -0.05 0.44 2.12 0.77 -0.12 118.70 122.93 1re7 s GLU 154 Ca 0.18 -0.64 -0.01 0.00 0.36 0.00 0.00 54.97 54.86 1re7 s GLU 154 Cb -0.13 -0.24 0.03 0.00 0.26 0.00 0.00 34.13 34.04 1re7 s GLU 154 CO 0.05 0.04 0.03 0.42 -0.54 0.00 0.00 175.26 175.26 1re7 s ILE 155 N -1.18 0.14 0.17 -3.70 1.01 0.11 -1.47 121.20 116.27 1re7 s ILE 155 Ca -0.09 0.26 0.09 0.00 0.00 0.00 0.00 60.65 60.91 1re7 s ILE 155 Cb -0.09 -0.34 -0.04 0.00 0.01 0.00 0.00 42.46 42.00 1re7 s ILE 155 CO 0.00 0.21 -0.12 -0.76 0.00 0.00 0.00 174.94 174.28 1re7 s LEU 156 N 1.98 2.91 0.06 2.97 1.43 -0.73 0.45 118.68 127.74 1re7 s LEU 156 Ca 0.04 -0.58 0.08 0.00 -1.03 0.00 0.00 54.13 52.64 1re7 s LEU 156 Cb -0.12 -1.62 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 1re7 s LEU 156 CO -0.04 0.12 -0.22 -1.61 0.23 0.00 0.00 176.35 174.83 1re7 s GLU 157 N -2.68 1.41 -0.10 1.70 2.02 -0.39 -1.21 118.70 119.45 1re7 s GLU 157 Ca 0.23 -1.04 -0.30 0.00 0.02 0.00 0.00 54.97 53.89 1re7 s GLU 157 Cb -0.09 -1.59 -0.02 0.00 0.10 0.00 0.00 34.13 32.52 1re7 s GLU 157 CO 0.14 0.40 1.23 0.50 0.02 0.00 0.00 175.26 177.55 1re7 s ARG 158 N -1.38 4.30 0.00 1.61 3.52 -0.14 -1.44 118.95 125.42 1re7 s ARG 158 Ca 0.08 1.67 0.24 0.00 -0.13 0.00 0.00 55.73 57.60 1re7 s ARG 158 Cb -0.09 -3.65 1.44 0.00 -1.56 0.00 0.00 34.95 31.09 1re7 s ARG 158 CO 0.03 -0.56 1.81 0.54 -0.81 0.00 0.00 175.30 176.30