#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2re2 n PHE -2 N 0.00 0.00 -1.70 2.98 3.72 -1.26 -4.93 117.46 116.27 2re2 n PHE -2 Ca 0.00 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.97 2re2 n PHE -2 Cb 0.00 -0.10 -0.03 0.00 -0.94 0.00 0.00 39.48 38.40 2re2 n PHE -2 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 2re2 n GLN -1 N -0.52 2.61 -1.17 -1.08 -0.06 -1.26 -4.21 117.38 111.68 2re2 n GLN -1 Ca 0.13 0.94 0.00 0.00 -2.00 0.00 0.00 57.00 56.08 2re2 n GLN -1 Cb 0.35 -2.78 0.00 0.00 -4.06 0.00 0.00 30.24 23.74 2re2 n GLN -1 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2re2 n GLY 0 N 3.92 -0.14 3.42 1.69 0.00 0.12 -4.94 105.19 109.27 2re2 n GLY 0 Ca 0.17 -0.30 -0.08 0.00 0.00 0.00 0.00 46.02 45.81 2re2 n GLY 0 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2re2 s LYS 2 N -2.31 0.51 -0.17 1.61 1.02 -1.26 -4.68 119.74 114.45 2re2 s LYS 2 Ca 0.00 1.01 -0.05 0.00 0.02 0.00 0.00 55.97 56.94 2re2 s LYS 2 Cb 0.00 0.12 -0.03 0.00 -0.52 0.00 0.00 37.83 37.40 2re2 s LYS 2 CO 0.00 -0.17 0.01 -0.06 -0.92 0.00 0.00 175.35 174.21 2re2 s PHE 3 N 1.69 3.11 -0.29 3.18 0.40 0.71 -0.41 117.98 126.37 2re2 s PHE 3 Ca -0.09 -0.19 -0.15 0.00 -0.60 0.00 0.00 56.93 55.91 2re2 s PHE 3 Cb -0.08 -2.03 -0.03 0.00 0.51 0.00 0.00 43.02 41.40 2re2 s PHE 3 CO -0.16 -0.00 0.37 0.00 0.70 0.00 0.00 175.22 176.13 2re2 s ALA 4 N 0.48 3.54 -0.13 5.36 0.00 -0.06 -0.96 121.76 130.00 2re2 s ALA 4 Ca -0.01 -0.93 -0.01 0.00 0.00 0.00 0.00 51.96 51.01 2re2 s ALA 4 Cb -0.14 -2.74 -0.02 0.00 0.00 0.00 0.00 23.12 20.22 2re2 s ALA 4 CO 0.02 -0.78 -0.08 0.08 0.00 0.00 0.00 175.76 175.00 2re2 s VAL 5 N 2.07 3.57 -0.24 0.00 1.01 0.38 -0.83 120.40 126.36 2re2 s VAL 5 Ca 0.14 -0.49 -0.21 0.00 0.00 0.00 0.00 61.98 61.43 2re2 s VAL 5 Cb -0.16 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 2re2 s VAL 5 CO 0.11 0.53 0.64 0.00 0.00 0.00 0.00 175.10 176.37 2re2 s ALA 6 N 0.07 3.60 -0.02 5.51 0.00 -0.98 -1.12 121.76 128.82 2re2 s ALA 6 Ca -0.02 -0.38 0.03 0.00 0.00 0.00 0.00 51.96 51.59 2re2 s ALA 6 Cb -0.14 -3.03 -0.00 0.00 0.00 0.00 0.00 23.12 19.95 2re2 s ALA 6 CO 0.03 -0.75 -0.11 0.08 0.00 0.00 0.00 175.76 175.01 2re2 s VAL 7 N 2.38 0.88 -0.06 0.00 1.01 -0.39 -0.98 120.40 123.24 2re2 s VAL 7 Ca 0.27 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.81 2re2 s VAL 7 Cb -0.16 -0.76 0.02 0.00 0.00 0.00 0.00 36.38 35.49 2re2 s VAL 7 CO 0.09 0.26 -0.06 -0.44 0.00 0.00 0.00 175.10 174.95 2re2 s SER 8 N -0.06 1.32 -1.43 3.32 0.01 -0.47 -1.12 113.70 115.27 2re2 s SER 8 Ca 0.01 -0.18 -0.08 0.00 1.31 0.00 0.00 55.95 57.01 2re2 s SER 8 Cb -0.07 -0.57 0.05 0.00 0.21 0.00 0.00 66.02 65.64 2re2 s SER 8 CO 0.00 -0.05 0.87 0.61 0.41 0.00 0.00 173.24 175.08 2re2 n GLY 9 N 4.18 -0.41 2.36 3.44 0.00 -1.26 -1.00 105.19 112.51 2re2 n GLY 9 Ca -0.21 0.17 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 2re2 n GLY 9 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2re2 n ASP 10 N -2.94 -4.76 -4.38 1.61 2.03 -1.26 -4.99 116.55 101.86 2re2 n ASP 10 Ca -0.11 0.29 -0.29 0.00 0.52 0.00 0.00 54.79 55.19 2re2 n ASP 10 Cb 0.59 -4.16 -0.13 0.00 -0.72 0.00 0.00 41.12 36.70 2re2 n ASP 10 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2re2 s ARG 11 N -4.09 1.49 0.06 -0.67 1.81 -0.17 -2.58 118.95 114.80 2re2 s ARG 11 Ca 0.00 -1.29 -0.31 0.00 -1.72 0.00 0.00 55.73 52.41 2re2 s ARG 11 Cb 0.00 -1.92 -0.07 0.00 -0.45 0.00 0.00 34.95 32.52 2re2 s ARG 11 CO 0.00 0.46 1.37 0.08 -0.68 0.00 0.00 175.30 176.53 2re2 s VAL 12 N -1.00 3.56 0.00 3.52 1.01 -1.26 -1.37 120.40 124.86 2re2 s VAL 12 Ca 0.13 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.18 2re2 s VAL 12 Cb -0.10 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.60 2re2 s VAL 12 CO 0.05 0.05 0.00 0.59 0.00 0.00 0.00 175.10 175.79 2re2 n ASN 13 N 4.50 0.79 -4.92 3.32 5.03 -0.15 -4.26 115.26 119.57 2re2 n ASN 13 Ca 0.12 -0.62 -0.26 0.00 0.87 0.00 0.00 54.58 54.69 2re2 n ASN 13 Cb 0.43 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 39.18 2re2 n ASN 13 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2re2 s GLY 14 N -0.62 1.50 0.24 7.41 0.00 -1.26 -1.51 107.32 113.08 2re2 s GLY 14 Ca 0.00 -0.69 -0.04 0.00 0.00 0.00 0.00 44.72 43.99 2re2 s GLY 14 CO 0.00 -0.58 1.76 -0.56 0.00 0.00 0.00 173.10 173.72 2re2 h PRO 15 N 0.74 0.96 0.00 2.90 0.13 -1.92 -1.84 132.00 132.98 2re2 h PRO 15 Ca -0.48 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.42 2re2 h PRO 15 Cb 1.21 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2re2 h PRO 15 CO 0.62 0.87 0.00 0.78 -0.23 0.00 0.00 178.00 180.05 2re2 h GLY 16 N 1.02 0.00 0.00 1.56 0.00 -1.84 -3.39 103.07 100.43 2re2 h GLY 16 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2re2 h GLY 16 CO 0.01 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.73 2re2 n GLU 17 N -2.85 6.26 -2.11 4.80 -0.58 -1.17 -4.49 120.64 120.50 2re2 n GLU 17 Ca 0.04 -0.02 -0.38 0.00 -0.42 0.00 0.00 57.16 56.38 2re2 n GLU 17 Cb 0.49 -0.49 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2re2 n GLU 17 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2re2 s SER 18 N -0.90 6.00 0.25 1.62 1.04 -0.70 -4.93 113.70 116.08 2re2 s SER 18 Ca 0.00 2.47 -0.04 0.00 0.48 0.00 0.00 55.95 58.87 2re2 s SER 18 Cb 0.00 -2.62 0.30 0.00 0.10 0.00 0.00 66.02 63.80 2re2 s SER 18 CO 0.00 -1.05 1.77 -0.33 0.98 0.00 0.00 173.24 174.61 2re2 h GLU 19 N 2.04 0.91 -4.64 4.02 5.08 -1.74 -3.40 114.58 116.85 2re2 h GLU 19 Ca -0.50 -0.21 -0.24 0.00 -1.00 0.00 0.00 59.36 57.41 2re2 h GLU 19 Cb 1.26 -0.12 -0.17 0.00 0.50 0.00 0.00 28.75 30.22 2re2 h GLU 19 CO 0.60 0.84 -0.71 -1.21 -1.00 0.00 0.00 179.01 177.53 2re2 s GLU 20 N -5.16 0.75 -0.18 2.33 2.02 -0.28 -1.05 118.70 117.13 2re2 s GLU 20 Ca -0.10 -1.17 -0.06 0.00 0.02 0.00 0.00 54.97 53.66 2re2 s GLU 20 Cb 0.15 -0.24 -0.03 0.00 0.10 0.00 0.00 34.13 34.11 2re2 s GLU 20 CO 0.82 0.00 0.03 0.08 0.02 0.00 0.00 175.26 176.21 2re2 s VAL 21 N -2.96 4.39 -0.12 2.63 1.01 -0.09 -1.26 120.40 124.00 2re2 s VAL 21 Ca 0.05 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.89 2re2 s VAL 21 Cb 0.01 -2.98 -0.00 0.00 0.00 0.00 0.00 36.38 33.41 2re2 s VAL 21 CO -0.03 0.45 -0.20 -1.10 0.00 0.00 0.00 175.10 174.22 2re2 s GLN 22 N 0.59 3.17 -0.22 2.72 -0.21 -0.28 -1.44 119.66 123.99 2re2 s GLN 22 Ca 0.01 -0.81 -0.05 0.00 0.02 0.00 0.00 55.36 54.54 2re2 s GLN 22 Cb -0.13 -2.44 -0.01 0.00 1.00 0.00 0.00 33.01 31.42 2re2 s GLN 22 CO 0.02 0.17 -0.02 0.42 -2.12 0.00 0.00 175.29 173.76 2re2 s ILE 23 N 0.41 3.62 -0.03 1.08 -1.09 0.47 -0.47 121.20 125.19 2re2 s ILE 23 Ca -0.15 -0.41 0.05 0.00 -2.23 0.00 0.00 60.65 57.91 2re2 s ILE 23 Cb -0.17 -2.65 -0.03 0.00 -1.58 0.00 0.00 42.46 38.03 2re2 s ILE 23 CO 0.07 0.41 -0.16 -0.31 -1.23 0.00 0.00 174.94 173.71 2re2 s TYR 24 N 1.41 2.63 0.03 3.97 1.51 -0.14 -0.83 117.35 125.93 2re2 s TYR 24 Ca 0.05 -0.21 0.04 0.00 -1.01 0.00 0.00 57.07 55.94 2re2 s TYR 24 Cb -0.14 -1.59 -0.04 0.00 -0.11 0.00 0.00 41.96 40.08 2re2 s TYR 24 CO -0.01 0.17 -0.07 -2.00 -1.11 0.00 0.00 175.55 172.53 2re2 s GLU 25 N -0.84 2.45 0.04 -0.62 2.12 -0.05 -0.21 118.70 121.59 2re2 s GLU 25 Ca 0.12 -0.80 0.00 0.00 0.36 0.00 0.00 54.97 54.65 2re2 s GLU 25 Cb -0.11 -2.45 -0.03 0.00 0.26 0.00 0.00 34.13 31.80 2re2 s GLU 25 CO 0.01 0.57 -0.04 -0.08 -0.54 0.00 0.00 175.26 175.19 2re2 s THR 26 N -1.07 0.27 -1.63 -1.70 -1.32 -1.26 -0.62 115.64 108.31 2re2 s THR 26 Ca 0.19 -1.33 0.20 0.00 -1.21 0.00 0.00 61.69 59.54 2re2 s THR 26 Cb -0.11 -0.86 0.64 0.00 -1.51 0.00 0.00 72.50 70.66 2re2 s THR 26 CO 0.10 -0.68 1.54 -0.90 -2.21 0.00 0.00 174.62 172.47 2re2 n ASP 27 N 0.94 4.10 0.00 8.08 5.68 -0.99 0.15 116.55 134.51 2re2 n ASP 27 Ca -0.19 -2.14 0.00 0.00 -0.50 0.00 0.00 54.79 51.96 2re2 n ASP 27 Cb 0.57 -0.49 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 2re2 n ASP 27 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2re2 n GLY 28 N 1.39 2.93 1.94 6.12 0.00 -1.26 -4.29 105.19 112.03 2re2 n GLY 28 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 2re2 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2re2 n GLY 29 N -1.30 -0.04 3.76 -0.02 0.00 -1.26 -4.90 105.19 101.43 2re2 n GLY 29 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2re2 n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2re2 s ASN 30 N -5.01 7.30 0.00 1.61 0.01 -1.26 -5.06 114.94 112.53 2re2 s ASN 30 Ca 0.00 2.11 0.04 0.00 -0.71 0.00 0.00 52.86 54.29 2re2 s ASN 30 Cb 0.00 -2.61 -0.01 0.00 0.41 0.00 0.00 41.25 39.04 2re2 s ASN 30 CO 0.00 -0.11 -0.12 -0.69 -1.51 0.00 0.00 177.10 174.67 2re2 s VAL 31 N -1.29 0.93 -0.02 1.60 1.01 -1.26 -2.34 120.40 119.02 2re2 s VAL 31 Ca 0.46 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.84 2re2 s VAL 31 Cb -0.27 -0.80 0.01 0.00 0.00 0.00 0.00 36.38 35.31 2re2 s VAL 31 CO 0.35 0.17 -0.06 -0.60 0.00 0.00 0.00 175.10 174.96 2re2 s ARG 32 N -0.51 0.72 -0.26 2.72 3.52 0.21 -4.97 118.95 120.38 2re2 s ARG 32 Ca 0.03 -0.20 -0.29 0.00 -0.13 0.00 0.00 55.73 55.14 2re2 s ARG 32 Cb -0.05 -0.70 -0.01 0.00 -1.56 0.00 0.00 34.95 32.63 2re2 s ARG 32 CO -0.00 0.05 1.37 -1.17 -0.81 0.00 0.00 175.30 174.75 2re2 s LEU 33 N 0.31 3.93 -0.02 -0.88 2.96 -1.26 -0.87 118.68 122.85 2re2 s LEU 33 Ca -0.04 1.38 0.17 0.00 -0.22 0.00 0.00 54.13 55.42 2re2 s LEU 33 Cb -0.08 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.83 2re2 s LEU 33 CO 0.00 -1.08 0.43 2.30 -1.32 0.00 0.00 176.35 176.69 2re2 n ILE 34 N 6.14 0.00 -3.57 6.68 -5.35 -0.01 -4.96 119.36 118.28 2re2 n ILE 34 Ca 0.16 -0.33 -0.15 0.00 -0.27 0.00 0.00 62.75 62.16 2re2 n ILE 34 Cb 0.46 0.30 -0.06 0.00 -1.74 0.00 0.00 39.64 38.60 2re2 n ILE 34 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 2re2 s GLU 35 N -3.03 0.91 -0.03 6.28 2.12 -1.12 -5.01 118.70 118.82 2re2 s GLU 35 Ca -0.04 0.56 -0.05 0.00 0.36 0.00 0.00 54.97 55.80 2re2 s GLU 35 Cb 0.11 0.43 0.01 0.00 0.26 0.00 0.00 34.13 34.94 2re2 s GLU 35 CO 0.69 -0.21 0.13 -1.59 -0.54 0.00 0.00 175.26 173.73 2re2 s LYS 36 N -0.48 0.24 0.10 4.30 -2.85 -1.26 -0.39 119.74 119.38 2re2 s LYS 36 Ca -0.05 0.01 -0.20 0.00 -1.00 0.00 0.00 55.97 54.73 2re2 s LYS 36 Cb -0.02 0.11 0.05 0.00 -2.06 0.00 0.00 37.83 35.90 2re2 s LYS 36 CO 0.05 -0.04 0.49 1.52 0.10 0.00 0.00 175.35 177.47 2re2 s TYR 37 N -0.33 -0.37 0.33 1.78 1.13 -0.52 -5.00 117.35 114.36 2re2 s TYR 37 Ca -0.04 0.24 -0.29 0.00 -1.41 0.00 0.00 57.07 55.57 2re2 s TYR 37 Cb -0.03 0.36 -0.11 0.00 -1.10 0.00 0.00 41.96 41.08 2re2 s TYR 37 CO 0.00 -0.70 1.52 -1.12 -2.51 0.00 0.00 175.55 172.74 2re2 s SER 38 N -2.42 6.40 -0.12 -0.18 0.01 -1.26 -0.92 113.70 115.22 2re2 s SER 38 Ca -0.01 2.96 -0.29 0.00 1.31 0.00 0.00 55.95 59.92 2re2 s SER 38 Cb 0.00 -2.65 -0.05 0.00 0.21 0.00 0.00 66.02 63.53 2re2 s SER 38 CO -0.08 -0.86 1.72 0.21 0.41 0.00 0.00 173.24 174.65 2re2 s ASN 39 N 0.14 6.43 0.61 2.44 2.47 -0.21 -4.69 114.94 122.14 2re2 s ASN 39 Ca 0.57 2.03 0.36 0.00 0.42 0.00 0.00 52.86 56.24 2re2 s ASN 39 Cb -0.46 -2.53 2.03 0.00 -1.45 0.00 0.00 41.25 38.83 2re2 s ASN 39 CO 0.55 -1.15 2.28 -0.65 -3.72 0.00 0.00 177.10 174.41 2re2 h PRO 40 N 10.56 0.00 -0.90 0.43 0.11 -1.89 -1.92 132.00 138.39 2re2 h PRO 40 Ca -0.39 0.00 0.21 0.00 0.11 0.00 0.00 66.00 65.93 2re2 h PRO 40 Cb 1.18 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.23 2re2 h PRO 40 CO 0.97 0.01 0.60 0.00 -0.21 0.00 0.00 178.00 179.37 2re2 h ALA 41 N 1.99 2.24 0.00 -0.75 0.00 -1.82 -0.94 119.26 119.99 2re2 h ALA 41 Ca -0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2re2 h ALA 41 Cb 0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2re2 h ALA 41 CO 0.00 -0.53 -0.06 -0.07 0.00 0.00 0.00 179.25 178.59 2re2 h LEU 42 N 0.38 0.00 0.00 0.00 3.38 -1.57 -1.49 115.31 116.01 2re2 h LEU 42 Ca 0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.44 2re2 h LEU 42 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2re2 h LEU 42 CO -0.17 0.06 -0.68 0.59 0.09 0.00 0.00 178.44 178.32 2re2 n ASN 43 N -3.37 0.62 -4.77 -0.43 5.03 -0.36 -4.90 115.26 107.08 2re2 n ASN 43 Ca -0.02 -0.07 -0.38 0.00 0.87 0.00 0.00 54.58 54.99 2re2 n ASN 43 Cb 0.21 0.33 -0.05 0.00 -1.02 0.00 0.00 39.78 39.25 2re2 n ASN 43 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2re2 s ALA 44 N -3.12 3.24 0.06 5.41 0.00 -0.56 -4.97 121.76 121.82 2re2 s ALA 44 Ca 0.07 0.70 -0.10 0.00 0.00 0.00 0.00 51.96 52.62 2re2 s ALA 44 Cb 0.15 -3.25 -0.28 0.00 0.00 0.00 0.00 23.12 19.73 2re2 s ALA 44 CO 0.73 -0.04 1.11 1.15 0.00 0.00 0.00 175.76 178.72 2re2 h THR 45 N 2.68 1.37 -3.78 0.00 2.02 -1.90 -3.46 112.91 109.83 2re2 h THR 45 Ca -0.47 -2.72 -0.27 0.00 0.77 0.00 0.00 66.41 63.73 2re2 h THR 45 Cb 1.21 2.83 -0.15 0.00 -1.74 0.00 0.00 68.15 70.30 2re2 h THR 45 CO 0.65 0.81 -0.68 0.00 0.37 0.00 0.00 175.52 176.67 2re2 s ALA 46 N -2.81 1.22 -1.46 6.16 0.00 -1.26 -4.86 121.76 118.74 2re2 s ALA 46 Ca -0.07 -1.50 -0.11 0.00 0.00 0.00 0.00 51.96 50.27 2re2 s ALA 46 Cb 0.06 0.40 0.05 0.00 0.00 0.00 0.00 23.12 23.63 2re2 s ALA 46 CO 0.91 -0.28 1.00 0.00 0.00 0.00 0.00 175.76 177.39 2re2 n ALA 47 N -0.17 -1.25 -0.27 0.00 0.00 -1.26 -4.86 120.51 112.70 2re2 n ALA 47 Ca -0.09 0.28 -0.03 0.00 0.00 0.00 0.00 53.44 53.60 2re2 n ALA 47 Cb 0.62 -4.74 0.08 0.00 0.00 0.00 0.00 19.45 15.42 2re2 n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2re2 h ARG 48 N -2.19 0.92 -0.24 0.00 3.08 -1.89 -1.43 114.38 112.63 2re2 h ARG 48 Ca -0.56 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.43 2re2 h ARG 48 Cb 1.37 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 2re2 h ARG 48 CO 0.62 0.61 0.15 0.78 -1.07 0.00 0.00 179.97 181.05 2re2 h GLY 49 N 0.94 0.34 0.53 0.04 0.00 -1.85 -2.43 103.07 100.64 2re2 h GLY 49 Ca 0.30 -0.14 0.09 0.00 0.00 0.00 0.00 47.33 47.58 2re2 h GLY 49 CO -0.10 0.13 0.37 -2.08 0.00 0.00 0.00 176.54 174.86 2re2 h VAL 50 N 0.30 0.88 0.00 4.60 2.07 -1.76 -1.59 116.25 120.75 2re2 h VAL 50 Ca 0.09 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2re2 h VAL 50 Cb -0.00 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 2re2 h VAL 50 CO -0.02 0.12 0.00 0.49 0.02 0.00 0.00 177.57 178.18 2re2 n PHE 51 N -4.83 0.00 0.00 1.57 3.01 -0.60 -0.48 117.46 116.13 2re2 n PHE 51 Ca 0.11 -0.46 0.00 0.00 1.01 0.00 0.00 57.45 58.10 2re2 n PHE 51 Cb 0.25 -0.32 0.00 0.00 -0.01 0.00 0.00 39.48 39.40 2re2 n PHE 51 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2re2 n LEU 53 N 1.41 0.00 -0.11 4.37 4.77 -0.60 -2.18 117.00 124.65 2re2 n LEU 53 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 2re2 n LEU 53 Cb 0.27 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.55 2re2 n LEU 53 CO 0.00 0.00 0.94 0.50 -1.33 0.00 0.00 177.39 177.50 2re2 h LYS 54 N 0.00 0.80 -0.48 3.23 1.63 -1.04 -1.22 116.57 119.49 2re2 h LYS 54 Ca 0.00 -0.18 -0.12 0.00 -0.85 0.00 0.00 60.65 59.50 2re2 h LYS 54 Cb 0.00 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.50 2re2 h LYS 54 CO 0.00 0.75 -0.19 0.66 -3.45 0.00 0.00 179.45 177.22 2re2 h SER 55 N 0.76 0.96 -0.62 4.20 4.64 -1.70 0.11 113.55 121.91 2re2 h SER 55 Ca 0.16 -0.35 0.03 0.00 -0.47 0.00 0.00 61.79 61.16 2re2 h SER 55 Cb 0.34 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 62.13 2re2 h SER 55 CO 0.01 1.12 0.38 0.00 -0.87 0.00 0.00 176.83 177.46 2re2 h ALA 56 N 0.95 0.80 -0.18 5.18 0.00 -1.71 -0.88 119.26 123.42 2re2 h ALA 56 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2re2 h ALA 56 Cb 0.74 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2re2 h ALA 56 CO 0.06 0.13 0.11 1.25 0.00 0.00 0.00 179.25 180.80 2re2 h LEU 57 N 0.75 0.21 -1.40 0.00 5.85 -0.91 -2.16 115.31 117.65 2re2 h LEU 57 Ca 0.25 -0.02 0.16 0.00 0.84 0.00 0.00 57.88 59.11 2re2 h LEU 57 Cb 0.01 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 40.93 2re2 h LEU 57 CO -0.10 0.16 0.57 0.44 -0.34 0.00 0.00 178.44 179.17 2re2 h ASP 58 N 0.23 0.54 -0.39 1.25 3.32 -0.55 -0.99 116.42 119.83 2re2 h ASP 58 Ca 0.06 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2re2 h ASP 58 Cb -0.01 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.47 2re2 h ASP 58 CO -0.01 0.25 0.00 1.41 -1.72 0.00 0.00 179.24 179.17 2re2 n HIS 59 N -4.54 0.52 -1.05 4.55 8.25 -0.37 -4.93 115.22 117.64 2re2 n HIS 59 Ca 0.18 -0.26 -0.02 0.00 -0.26 0.00 0.00 57.72 57.36 2re2 n HIS 59 Cb 0.55 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.65 2re2 n HIS 59 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2re2 n GLY 60 N 1.13 0.53 3.74 -1.41 0.00 -0.38 -5.01 105.19 103.80 2re2 n GLY 60 Ca 0.13 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 2re2 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2re2 s ALA 61 N -1.93 2.55 -0.21 4.61 0.00 -0.85 -4.83 121.76 121.10 2re2 s ALA 61 Ca 0.00 1.21 0.19 0.00 0.00 0.00 0.00 51.96 53.36 2re2 s ALA 61 Cb 0.00 -3.54 -0.27 0.00 0.00 0.00 0.00 23.12 19.31 2re2 s ALA 61 CO 0.00 -1.44 0.49 0.09 0.00 0.00 0.00 175.76 174.90 2re2 n ASN 62 N -1.56 0.77 -3.73 0.00 4.13 0.45 -4.80 115.26 110.53 2re2 n ASN 62 Ca 0.14 -0.20 -0.11 0.00 1.68 0.00 0.00 54.58 56.08 2re2 n ASN 62 Cb 0.47 1.66 -0.07 0.00 -1.54 0.00 0.00 39.78 40.31 2re2 n ASN 62 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2re2 s ALA 63 N -3.16 -0.73 0.03 5.41 0.00 -0.96 -3.47 121.76 118.88 2re2 s ALA 63 Ca -0.04 -0.03 0.05 0.00 0.00 0.00 0.00 51.96 51.94 2re2 s ALA 63 Cb 0.12 0.42 -0.03 0.00 0.00 0.00 0.00 23.12 23.63 2re2 s ALA 63 CO 0.77 -0.48 -0.11 -0.51 0.00 0.00 0.00 175.76 175.42 2re2 s LEU 64 N -2.30 2.94 -0.20 0.00 1.02 -0.05 -0.88 118.68 119.20 2re2 s LEU 64 Ca -0.02 -0.28 0.00 0.00 0.02 0.00 0.00 54.13 53.85 2re2 s LEU 64 Cb 0.00 -1.71 0.05 0.00 0.02 0.00 0.00 46.19 44.55 2re2 s LEU 64 CO -0.06 0.26 -0.08 -0.69 0.02 0.00 0.00 176.35 175.80 2re2 s VAL 65 N -1.00 1.48 0.08 -1.59 1.01 -0.01 -0.60 120.40 119.77 2re2 s VAL 65 Ca 0.17 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 2re2 s VAL 65 Cb -0.11 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 2re2 s VAL 65 CO 0.08 0.11 -0.01 -0.76 0.00 0.00 0.00 175.10 174.52 2re2 s LEU 66 N 1.46 2.29 0.04 3.92 1.43 -0.71 -2.32 118.68 124.80 2re2 s LEU 66 Ca -0.01 -1.06 0.24 0.00 -1.03 0.00 0.00 54.13 52.26 2re2 s LEU 66 Cb -0.16 0.20 0.31 0.00 0.03 0.00 0.00 46.19 46.57 2re2 s LEU 66 CO -0.08 -0.63 1.26 -1.54 0.23 0.00 0.00 176.35 175.60 2re2 n SER 67 N 0.04 0.61 -3.63 2.29 3.41 -0.57 -1.14 113.62 114.63 2re2 n SER 67 Ca -0.11 -0.18 -0.07 0.00 -0.26 0.00 0.00 58.87 58.24 2re2 n SER 67 Cb 0.62 0.40 -0.02 0.00 -0.26 0.00 0.00 64.21 64.95 2re2 n SER 67 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2re2 s GLU 68 N -3.09 1.16 -0.23 4.33 -1.05 -1.26 -4.69 118.70 113.86 2re2 s GLU 68 Ca 0.08 -0.55 -0.19 0.00 -0.15 0.00 0.00 54.97 54.16 2re2 s GLU 68 Cb 0.16 0.45 0.06 0.00 -0.44 0.00 0.00 34.13 34.36 2re2 s GLU 68 CO 0.74 -0.52 0.61 -1.50 0.95 0.00 0.00 175.26 175.54 2re2 s ILE 69 N -3.39 -0.00 0.73 1.83 2.07 -1.26 -4.39 121.20 116.79 2re2 s ILE 69 Ca 0.08 0.01 -0.03 0.00 -1.41 0.00 0.00 60.65 59.30 2re2 s ILE 69 Cb -0.02 -0.86 0.12 0.00 0.13 0.00 0.00 42.46 41.83 2re2 s ILE 69 CO -0.04 0.00 1.01 -0.83 -1.91 0.00 0.00 174.94 173.18 2re2 s GLY 70 N 0.70 1.76 0.07 1.50 0.00 -1.26 -0.68 107.32 109.41 2re2 s GLY 70 Ca -0.03 -1.56 -0.21 0.00 0.00 0.00 0.00 44.72 42.92 2re2 s GLY 70 CO -0.05 -1.01 1.59 0.23 0.00 0.00 0.00 173.10 173.86 2re2 h SER 71 N -0.61 0.19 -0.49 1.64 0.87 -1.88 0.06 113.55 113.33 2re2 h SER 71 Ca -0.39 -0.19 0.04 0.00 -1.23 0.00 0.00 61.79 60.02 2re2 h SER 71 Cb 1.27 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 63.14 2re2 h SER 71 CO 0.43 0.33 0.26 -0.65 -0.53 0.00 0.00 176.83 176.67 2re2 h PRO 72 N 0.04 0.49 -0.46 2.24 0.11 -1.96 -0.05 132.00 132.41 2re2 h PRO 72 Ca 0.04 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.08 2re2 h PRO 72 Cb 0.21 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 2re2 h PRO 72 CO -0.00 0.32 0.11 0.78 -0.21 0.00 0.00 178.00 179.00 2re2 h GLY 73 N 0.51 0.80 0.98 -0.55 0.00 -1.89 -1.16 103.07 101.76 2re2 h GLY 73 Ca 0.21 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 2re2 h GLY 73 CO -0.14 0.47 0.27 -2.75 0.00 0.00 0.00 176.54 174.39 2re2 h PHE 74 N 0.62 0.74 -0.37 5.60 3.57 -0.71 -2.00 116.94 124.39 2re2 h PHE 74 Ca 0.14 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 2re2 h PHE 74 Cb 0.33 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 2re2 h PHE 74 CO 0.02 0.56 0.07 -0.91 -2.23 0.00 0.00 178.31 175.83 2re2 h ASN 75 N 0.70 0.50 -0.34 0.41 2.35 -0.90 0.81 115.58 119.11 2re2 h ASN 75 Ca 0.18 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 2re2 h ASN 75 Cb 0.09 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 2re2 h ASN 75 CO -0.03 0.52 0.16 0.15 -1.65 0.00 0.00 177.43 176.59 2re2 h PHE 76 N 0.53 0.49 0.00 1.19 3.57 -0.78 -3.34 116.94 118.60 2re2 h PHE 76 Ca 0.12 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 2re2 h PHE 76 Cb 0.23 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.82 2re2 h PHE 76 CO 0.01 0.42 -1.89 1.51 -2.23 0.00 0.00 178.31 176.13 2re2 n ILE 77 N -4.75 0.12 -0.08 1.41 0.13 -0.79 -4.74 119.36 110.66 2re2 n ILE 77 Ca -0.01 -0.52 0.08 0.00 -1.10 0.00 0.00 62.75 61.20 2re2 n ILE 77 Cb 0.10 -0.06 0.44 0.00 -0.84 0.00 0.00 39.64 39.28 2re2 n ILE 77 CO 0.00 0.00 0.00 0.07 2.80 0.00 0.00 176.55 179.42 2re2 h LYS 78 N 0.00 0.54 -0.13 9.51 2.10 -0.97 0.24 116.57 127.85 2re2 h LYS 78 Ca -0.02 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 2re2 h LYS 78 Cb 1.04 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.25 2re2 h LYS 78 CO 0.00 0.35 0.00 0.09 -2.00 0.00 0.00 179.45 177.90 2re2 n ASN 79 N -4.47 1.53 -0.00 7.07 5.03 -1.26 -4.76 115.26 118.40 2re2 n ASN 79 Ca 0.08 -1.65 0.05 0.00 0.87 0.00 0.00 54.58 53.93 2re2 n ASN 79 Cb 0.23 -0.08 -0.07 0.00 -1.02 0.00 0.00 39.78 38.84 2re2 n ASN 79 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2re2 n LYS 80 N 0.23 2.94 -3.80 3.52 5.02 0.83 -5.25 118.16 121.65 2re2 n LYS 80 Ca 0.17 -0.02 -0.32 0.00 -2.02 0.00 0.00 58.31 56.12 2re2 n LYS 80 Cb 0.32 -1.05 -0.05 0.00 -0.02 0.00 0.00 35.03 34.23 2re2 n LYS 80 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2re2 s ASP 82 N -2.22 6.44 -0.16 4.39 1.01 -1.23 -4.97 116.67 119.94 2re2 s ASP 82 Ca 0.03 0.46 -0.00 0.00 0.71 0.00 0.00 52.55 53.75 2re2 s ASP 82 Cb 0.08 -2.04 -0.00 0.00 1.01 0.00 0.00 42.92 41.97 2re2 s ASP 82 CO 0.45 0.17 -0.14 -0.69 0.21 0.00 0.00 175.17 175.16 2re2 s VAL 83 N -1.48 2.74 -0.29 -1.27 1.01 -1.26 -0.88 120.40 118.97 2re2 s VAL 83 Ca 0.34 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.52 2re2 s VAL 83 Cb -0.13 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.10 2re2 s VAL 83 CO 0.23 0.51 0.06 -0.31 0.00 0.00 0.00 175.10 175.59 2re2 s TYR 84 N 0.86 3.14 -0.21 5.22 2.02 0.23 -0.32 117.35 128.29 2re2 s TYR 84 Ca -0.04 -1.03 -0.17 0.00 -0.37 0.00 0.00 57.07 55.45 2re2 s TYR 84 Cb -0.15 -2.23 -0.04 0.00 -0.40 0.00 0.00 41.96 39.14 2re2 s TYR 84 CO -0.01 -0.59 0.45 0.42 -1.57 0.00 0.00 175.55 174.26 2re2 s ILE 85 N 1.48 5.15 0.17 2.71 -1.09 -1.26 -1.73 121.20 126.64 2re2 s ILE 85 Ca 0.02 0.81 0.07 0.00 -2.23 0.00 0.00 60.65 59.32 2re2 s ILE 85 Cb -0.17 -3.78 -0.04 0.00 -1.58 0.00 0.00 42.46 36.89 2re2 s ILE 85 CO 0.02 0.20 -0.13 0.68 -1.23 0.00 0.00 174.94 174.48 2re2 s VAL 86 N 1.57 1.51 0.91 2.92 -7.23 -0.29 -4.98 120.40 114.82 2re2 s VAL 86 Ca 0.21 -2.09 -0.12 0.00 -1.81 0.00 0.00 61.98 58.17 2re2 s VAL 86 Cb -0.15 -1.91 0.07 0.00 0.56 0.00 0.00 36.38 34.95 2re2 s VAL 86 CO 0.09 -0.61 0.69 -2.65 -0.31 0.00 0.00 175.10 172.31 2re2 n PRO 87 N -0.17 -0.26 -2.27 4.82 -0.02 -1.26 -4.14 135.00 131.70 2re2 n PRO 87 Ca -0.10 -0.02 -0.41 0.00 -2.02 0.00 0.00 63.50 60.95 2re2 n PRO 87 Cb 0.60 -2.05 -0.03 0.00 -0.02 0.00 0.00 33.50 32.00 2re2 n PRO 87 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2re2 s GLU 88 N -3.90 3.09 0.26 -0.52 2.02 -1.26 -4.68 118.70 113.72 2re2 s GLU 88 Ca 0.62 0.51 -0.30 0.00 0.02 0.00 0.00 54.97 55.82 2re2 s GLU 88 Cb -0.23 -4.22 -0.09 0.00 0.10 0.00 0.00 34.13 29.69 2re2 s GLU 88 CO 0.63 -2.19 1.05 -2.14 0.02 0.00 0.00 175.26 172.63 2re2 s PRO 90 N 6.01 4.71 0.15 0.39 0.02 -1.26 -4.76 135.00 140.25 2re2 s PRO 90 Ca 0.57 1.71 -0.17 0.00 0.02 0.00 0.00 61.00 63.13 2re2 s PRO 90 Cb -0.12 -3.22 0.04 0.00 0.02 0.00 0.00 34.50 31.22 2re2 s PRO 90 CO 0.23 0.30 1.74 0.28 -0.33 0.00 0.00 177.00 179.22 2re2 h VAL 91 N 3.14 0.87 -0.77 3.83 2.07 -1.85 -1.84 116.25 121.69 2re2 h VAL 91 Ca -0.46 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 2re2 h VAL 91 Cb 1.21 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 2re2 h VAL 91 CO 0.67 0.04 0.30 0.00 0.02 0.00 0.00 177.57 178.60 2re2 h ALA 92 N 1.22 1.08 -0.65 1.67 0.00 -1.99 -0.74 119.26 119.85 2re2 h ALA 92 Ca 0.15 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2re2 h ALA 92 Cb 0.15 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2re2 h ALA 92 CO -0.18 0.65 0.19 -0.44 0.00 0.00 0.00 179.25 179.47 2re2 h ASP 93 N 1.12 0.93 -0.27 0.00 3.32 -1.80 -1.50 116.42 118.21 2re2 h ASP 93 Ca 0.26 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 2re2 h ASP 93 Cb 0.22 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2re2 h ASP 93 CO -0.02 0.88 -0.03 0.00 -1.72 0.00 0.00 179.24 178.34 2re2 h ALA 94 N 1.25 0.37 -0.17 3.45 0.00 -0.91 -2.82 119.26 120.43 2re2 h ALA 94 Ca 0.21 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2re2 h ALA 94 Cb 0.29 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2re2 h ALA 94 CO -0.01 0.14 -0.19 -0.07 0.00 0.00 0.00 179.25 179.13 2re2 h LEU 95 N 0.27 0.27 -0.20 0.00 3.38 -1.01 -1.48 115.31 116.54 2re2 h LEU 95 Ca 0.07 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2re2 h LEU 95 Cb 0.48 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2re2 h LEU 95 CO 0.02 0.48 0.11 0.50 0.09 0.00 0.00 178.44 179.64 2re2 h LYS 96 N 0.26 0.28 -0.61 1.13 3.64 -1.19 0.09 116.57 120.18 2re2 h LYS 96 Ca 0.05 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2re2 h LYS 96 Cb 0.49 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 2re2 h LYS 96 CO 0.03 0.27 0.33 -0.07 -2.27 0.00 0.00 179.45 177.74 2re2 h LEU 97 N 0.22 0.77 0.00 5.20 3.38 -1.22 -1.62 115.31 122.05 2re2 h LEU 97 Ca 0.07 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2re2 h LEU 97 Cb 0.07 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2re2 h LEU 97 CO -0.01 0.65 -0.00 0.40 0.09 0.00 0.00 178.44 179.56 2re2 h ILE 98 N 0.83 1.05 0.00 1.22 2.04 -1.02 -1.20 117.51 120.43 2re2 h ILE 98 Ca 0.21 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 2re2 h ILE 98 Cb 0.05 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 2re2 h ILE 98 CO -0.03 0.04 -0.11 -0.07 0.00 0.00 0.00 178.15 177.98 2re2 h LEU 99 N -0.06 0.00 -1.67 1.44 3.38 -0.81 -1.81 115.31 115.78 2re2 h LEU 99 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2re2 h LEU 99 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2re2 h LEU 99 CO 0.00 0.11 0.00 -0.62 0.09 0.00 0.00 178.44 178.02 2re2 n GLU 100 N -3.43 2.05 -1.02 1.13 1.02 -0.62 -4.93 120.64 114.84 2re2 n GLU 100 Ca -0.01 -1.63 -0.01 0.00 -0.02 0.00 0.00 57.16 55.49 2re2 n GLU 100 Cb 0.27 -1.36 -0.00 0.00 -0.02 0.00 0.00 31.44 30.33 2re2 n GLU 100 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2re2 n GLY 101 N 1.23 0.44 0.62 0.62 0.00 -0.68 -4.94 105.19 102.49 2re2 n GLY 101 Ca 0.16 -0.94 0.13 0.00 0.00 0.00 0.00 46.02 45.36 2re2 n GLY 101 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2re2 n LYS 102 N -2.97 1.74 -3.79 1.61 5.02 -0.47 -4.74 118.16 114.57 2re2 n LYS 102 Ca -0.01 -1.26 -0.29 0.00 -2.02 0.00 0.00 58.31 54.74 2re2 n LYS 102 Cb 0.02 -1.47 -0.16 0.00 -0.02 0.00 0.00 35.03 33.40 2re2 n LYS 102 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2re2 s VAL 103 N -2.12 0.87 0.43 -0.18 1.01 -1.25 -4.97 120.40 114.19 2re2 s VAL 103 Ca 0.30 -0.88 -0.22 0.00 0.00 0.00 0.00 61.98 61.17 2re2 s VAL 103 Cb 0.20 -1.35 -0.09 0.00 0.00 0.00 0.00 36.38 35.14 2re2 s VAL 103 CO 0.38 -0.26 1.03 -0.44 0.00 0.00 0.00 175.10 175.81 2re2 s SER 104 N 1.69 6.63 0.44 3.32 0.01 -1.26 -4.90 113.70 119.63 2re2 s SER 104 Ca -0.01 1.96 -0.25 0.00 1.31 0.00 0.00 55.95 58.97 2re2 s SER 104 Cb -0.18 -2.57 -0.09 0.00 0.21 0.00 0.00 66.02 63.39 2re2 s SER 104 CO -0.10 -0.58 1.26 -2.65 0.41 0.00 0.00 173.24 171.58 2re2 n PRO 105 N -0.44 1.86 -2.23 12.44 -0.02 -1.26 -4.69 135.00 140.67 2re2 n PRO 105 Ca 0.07 0.67 -0.40 0.00 -2.02 0.00 0.00 63.50 61.81 2re2 n PRO 105 Cb 0.51 -2.39 -0.02 0.00 -0.02 0.00 0.00 33.50 31.58 2re2 n PRO 105 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2re2 s ALA 106 N -1.22 3.38 -1.34 3.55 0.00 0.56 -4.93 121.76 121.76 2re2 s ALA 106 Ca 0.62 1.11 0.11 0.00 0.00 0.00 0.00 51.96 53.81 2re2 s ALA 106 Cb -0.50 -3.42 0.11 0.00 0.00 0.00 0.00 23.12 19.31 2re2 s ALA 106 CO 0.57 -0.52 0.90 0.25 0.00 0.00 0.00 175.76 176.95 2re2 n THR 107 N 0.67 0.11 -3.54 0.00 -2.24 -1.26 -4.73 114.28 103.28 2re2 n THR 107 Ca 0.01 -0.55 -0.13 0.00 -2.27 0.00 0.00 64.05 61.11 2re2 n THR 107 Cb 0.44 1.15 -0.04 0.00 -2.10 0.00 0.00 70.33 69.78 2re2 n THR 107 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2re2 s ALA 108 N -0.93 -1.32 0.70 6.98 0.00 -1.26 -5.16 121.76 120.77 2re2 s ALA 108 Ca 0.14 0.42 -0.12 0.00 0.00 0.00 0.00 51.96 52.40 2re2 s ALA 108 Cb 0.10 0.60 0.02 0.00 0.00 0.00 0.00 23.12 23.83 2re2 s ALA 108 CO 0.14 -0.61 1.09 -1.25 0.00 0.00 0.00 175.76 175.12 2re2 s PRO 109 N -3.14 2.66 0.28 0.00 0.04 -1.26 -4.96 135.00 128.63 2re2 s PRO 109 Ca -0.02 1.20 0.19 0.00 0.04 0.00 0.00 61.00 62.42 2re2 s PRO 109 Cb -0.00 -1.94 0.11 0.00 0.04 0.00 0.00 34.50 32.71 2re2 s PRO 109 CO -0.07 -1.34 1.32 1.79 0.04 0.00 0.00 177.00 178.75 2re2 h THR 110 N -0.53 0.36 -3.92 1.26 1.35 -1.23 -3.45 112.91 106.74 2re2 h THR 110 Ca -0.45 -1.55 -0.26 0.00 -0.55 0.00 0.00 66.41 63.61 2re2 h THR 110 Cb 1.23 2.04 -0.24 0.00 -1.73 0.00 0.00 68.15 69.45 2re2 h THR 110 CO 0.54 0.20 -0.73 -1.38 -0.25 0.00 0.00 175.52 173.90 2re2 s HIS 111 N -3.12 0.43 -0.16 4.73 -3.43 -1.10 -4.96 115.29 107.68 2re2 s HIS 111 Ca 0.03 -0.32 -0.05 0.00 -0.80 0.00 0.00 55.06 53.92 2re2 s HIS 111 Cb 0.07 -0.27 0.08 0.00 -1.43 0.00 0.00 32.58 31.03 2re2 s HIS 111 CO 0.74 -0.07 0.29 0.34 -2.00 0.00 0.00 174.74 174.03 2re2 s ASP 112 N -0.94 0.40 -0.12 7.38 -1.08 -1.26 -2.55 116.67 118.50 2re2 s ASP 112 Ca -0.07 0.50 0.15 0.00 -0.52 0.00 0.00 52.55 52.62 2re2 s ASP 112 Cb -0.06 0.78 0.28 0.00 -1.46 0.00 0.00 42.92 42.46 2re2 s ASP 112 CO -0.00 -0.26 1.14 1.41 0.52 0.00 0.00 175.17 177.99 2re2 n HIS 113 N 5.35 0.00 1.86 -5.34 8.25 -1.26 -5.03 115.22 119.05 2re2 n HIS 113 Ca -0.06 -0.94 0.15 0.00 -0.26 0.00 0.00 57.72 56.60 2re2 n HIS 113 Cb 0.50 -0.16 0.88 0.00 1.12 0.00 0.00 29.99 32.33 2re2 n HIS 113 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39