#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2re2 h LEU -4 N 0.00 0.00 -1.95 1.20 3.38 -1.98 -3.01 115.31 112.94 2re2 h LEU -4 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2re2 h LEU -4 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2re2 h LEU -4 CO 0.00 0.26 -0.09 1.88 0.09 0.00 0.00 178.44 180.57 2re2 h TYR -3 N 0.00 0.00 0.54 1.13 0.05 -1.85 0.19 116.97 117.04 2re2 h TYR -3 Ca -0.00 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 2re2 h TYR -3 Cb 0.52 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.26 2re2 h TYR -3 CO 0.00 0.09 -0.26 0.35 -1.05 0.00 0.00 178.16 177.29 2re2 h PHE -2 N 0.00 -0.68 0.00 4.88 3.04 -1.84 -3.06 116.94 119.29 2re2 h PHE -2 Ca -0.00 -0.02 -0.16 0.00 3.98 0.00 0.00 57.97 61.77 2re2 h PHE -2 Cb 0.19 0.22 -0.02 0.00 2.56 0.00 0.00 35.95 38.90 2re2 h PHE -2 CO 0.00 -0.42 -0.83 1.96 -2.02 0.00 0.00 178.31 177.00 2re2 h GLN -1 N -0.73 0.00 0.00 1.11 1.08 -1.76 -3.49 115.11 111.31 2re2 h GLN -1 Ca -0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 2re2 h GLN -1 Cb 0.56 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 2re2 h GLN -1 CO 0.12 0.67 0.00 0.41 -0.95 0.00 0.00 178.83 179.08 2re2 n GLY 0 N 1.30 0.63 3.64 3.46 0.00 0.66 -5.02 105.19 109.87 2re2 n GLY 0 Ca -0.01 -2.24 -0.07 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.69 0.71 -0.13 1.61 1.02 -1.26 -4.73 119.74 116.27 2re2 s LYS 2 Ca 0.00 1.21 -0.01 0.00 0.02 0.00 0.00 55.97 57.19 2re2 s LYS 2 Cb 0.00 0.15 -0.02 0.00 -0.52 0.00 0.00 37.83 37.44 2re2 s LYS 2 CO 0.00 -0.15 -0.10 -0.06 -0.92 0.00 0.00 175.35 174.13 2re2 s PHE 3 N 1.57 2.88 -0.23 3.18 0.40 0.28 -0.56 117.98 125.49 2re2 s PHE 3 Ca -0.09 -0.47 -0.09 0.00 -0.60 0.00 0.00 56.93 55.67 2re2 s PHE 3 Cb -0.05 -1.86 -0.04 0.00 0.51 0.00 0.00 43.02 41.57 2re2 s PHE 3 CO -0.19 -0.10 0.12 0.00 0.70 0.00 0.00 175.22 175.75 2re2 s ALA 4 N 0.23 3.48 -0.11 5.36 0.00 -0.21 -0.93 121.76 129.58 2re2 s ALA 4 Ca -0.07 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.02 2re2 s ALA 4 Cb -0.15 -2.18 -0.01 0.00 0.00 0.00 0.00 23.12 20.78 2re2 s ALA 4 CO 0.04 -0.15 -0.17 0.08 0.00 0.00 0.00 175.76 175.56 2re2 s VAL 5 N 0.98 2.67 -0.25 0.00 1.01 0.07 -0.84 120.40 124.03 2re2 s VAL 5 Ca 0.06 -0.81 -0.23 0.00 0.00 0.00 0.00 61.98 61.00 2re2 s VAL 5 Cb -0.14 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.16 2re2 s VAL 5 CO 0.03 0.54 0.76 0.00 0.00 0.00 0.00 175.10 176.43 2re2 s ALA 6 N 0.23 3.63 -0.02 5.51 0.00 -0.89 -1.07 121.76 129.14 2re2 s ALA 6 Ca -0.11 -0.27 0.03 0.00 0.00 0.00 0.00 51.96 51.61 2re2 s ALA 6 Cb -0.16 -3.20 -0.00 0.00 0.00 0.00 0.00 23.12 19.76 2re2 s ALA 6 CO 0.06 -0.91 -0.10 0.08 0.00 0.00 0.00 175.76 174.89 2re2 s VAL 7 N 2.74 0.87 -0.05 0.00 1.01 -0.43 -0.69 120.40 123.85 2re2 s VAL 7 Ca 0.32 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.88 2re2 s VAL 7 Cb -0.15 -0.76 0.02 0.00 0.00 0.00 0.00 36.38 35.49 2re2 s VAL 7 CO 0.08 0.26 -0.07 -0.44 0.00 0.00 0.00 175.10 174.93 2re2 s SER 8 N 0.03 1.27 -1.44 3.32 0.01 -0.55 -1.56 113.70 114.78 2re2 s SER 8 Ca -0.01 -0.19 -0.09 0.00 1.31 0.00 0.00 55.95 56.97 2re2 s SER 8 Cb -0.07 -0.59 0.05 0.00 0.21 0.00 0.00 66.02 65.61 2re2 s SER 8 CO 0.00 -0.02 0.93 0.61 0.41 0.00 0.00 173.24 175.17 2re2 n GLY 9 N 3.96 -0.44 2.53 3.44 0.00 -1.26 -1.56 105.19 111.86 2re2 n GLY 9 Ca -0.24 0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 2re2 n GLY 9 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2re2 n ASP 10 N -2.93 -5.44 -4.28 1.61 8.00 -1.26 -4.99 116.55 107.25 2re2 n ASP 10 Ca -0.07 0.41 -0.26 0.00 0.71 0.00 0.00 54.79 55.58 2re2 n ASP 10 Cb 0.58 -4.76 -0.14 0.00 -0.02 0.00 0.00 41.12 36.77 2re2 n ASP 10 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2re2 s ARG 11 N -3.97 1.44 0.15 -1.24 1.81 -0.60 -3.02 118.95 113.51 2re2 s ARG 11 Ca 0.00 -1.02 -0.31 0.00 -1.72 0.00 0.00 55.73 52.67 2re2 s ARG 11 Cb 0.00 -1.60 -0.09 0.00 -0.45 0.00 0.00 34.95 32.81 2re2 s ARG 11 CO 0.00 0.40 1.49 0.08 -0.68 0.00 0.00 175.30 176.59 2re2 s VAL 12 N -0.86 2.91 0.00 3.52 1.01 -1.26 -1.48 120.40 124.23 2re2 s VAL 12 Ca 0.08 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.72 2re2 s VAL 12 Cb -0.09 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.87 2re2 s VAL 12 CO 0.02 0.05 0.00 0.59 0.00 0.00 0.00 175.10 175.77 2re2 n ASN 13 N 3.87 0.59 -4.93 3.32 5.03 0.14 -4.27 115.26 119.01 2re2 n ASN 13 Ca 0.12 -0.18 -0.25 0.00 0.87 0.00 0.00 54.58 55.14 2re2 n ASN 13 Cb 0.40 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 39.15 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 -0.18 1.43 0.33 7.41 0.00 -1.26 -1.58 107.32 113.46 2re2 s GLY 14 Ca 0.00 -0.76 0.05 0.00 0.00 0.00 0.00 44.72 44.01 2re2 s GLY 14 CO 0.00 -0.66 1.82 -0.56 0.00 0.00 0.00 173.10 173.70 2re2 h PRO 15 N 0.67 0.41 0.00 2.90 0.13 -1.93 -1.36 132.00 132.83 2re2 h PRO 15 Ca -0.49 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 2re2 h PRO 15 Cb 1.21 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2re2 h PRO 15 CO 0.62 0.56 -0.03 0.78 -0.23 0.00 0.00 178.00 179.69 2re2 h GLY 16 N 0.90 0.00 0.00 1.56 0.00 -1.85 -3.40 103.07 100.28 2re2 h GLY 16 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2re2 h GLY 16 CO 0.03 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.75 2re2 n GLU 17 N -2.43 2.57 -2.05 4.80 -0.58 -1.13 -4.56 120.64 117.27 2re2 n GLU 17 Ca 0.05 -0.03 -0.36 0.00 -0.42 0.00 0.00 57.16 56.40 2re2 n GLU 17 Cb 0.45 -0.29 0.02 0.00 -0.57 0.00 0.00 31.44 31.06 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 -0.38 5.43 0.23 1.62 1.04 -0.53 -4.93 113.70 116.19 2re2 s SER 18 Ca 0.00 2.41 -0.04 0.00 0.48 0.00 0.00 55.95 58.80 2re2 s SER 18 Cb 0.00 -2.60 0.23 0.00 0.10 0.00 0.00 66.02 63.75 2re2 s SER 18 CO 0.00 -1.43 1.67 -0.33 0.98 0.00 0.00 173.24 174.13 2re2 h GLU 19 N 1.21 0.79 -4.68 4.02 5.08 -1.80 -3.41 114.58 115.79 2re2 h GLU 19 Ca -0.50 -0.28 -0.23 0.00 -1.00 0.00 0.00 59.36 57.35 2re2 h GLU 19 Cb 1.29 -0.06 -0.15 0.00 0.50 0.00 0.00 28.75 30.33 2re2 h GLU 19 CO 0.56 0.89 -0.70 -1.21 -1.00 0.00 0.00 179.01 177.55 2re2 s GLU 20 N -4.74 0.84 -0.14 2.33 2.02 -0.60 -1.52 118.70 116.89 2re2 s GLU 20 Ca -0.09 -1.33 -0.01 0.00 0.02 0.00 0.00 54.97 53.56 2re2 s GLU 20 Cb 0.14 -0.24 -0.02 0.00 0.10 0.00 0.00 34.13 34.11 2re2 s GLU 20 CO 0.83 -0.01 -0.11 0.08 0.02 0.00 0.00 175.26 176.07 2re2 s VAL 21 N -3.55 3.25 -0.14 2.63 1.01 -0.07 -1.32 120.40 122.22 2re2 s VAL 21 Ca 0.12 -0.59 -0.00 0.00 0.00 0.00 0.00 61.98 61.51 2re2 s VAL 21 Cb 0.05 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 2re2 s VAL 21 CO -0.04 0.51 -0.13 -1.10 0.00 0.00 0.00 175.10 174.34 2re2 s GLN 22 N 0.38 3.36 -0.22 2.72 -0.21 -0.23 -1.37 119.66 124.09 2re2 s GLN 22 Ca -0.09 -0.69 -0.06 0.00 0.02 0.00 0.00 55.36 54.54 2re2 s GLN 22 Cb -0.15 -2.64 -0.03 0.00 1.00 0.00 0.00 33.01 31.19 2re2 s GLN 22 CO 0.05 0.18 0.03 0.42 -2.12 0.00 0.00 175.29 173.85 2re2 s ILE 23 N 0.44 4.12 0.09 1.08 -1.09 0.04 -0.75 121.20 125.12 2re2 s ILE 23 Ca -0.10 -0.25 0.08 0.00 -2.23 0.00 0.00 60.65 58.15 2re2 s ILE 23 Cb -0.16 -2.89 -0.04 0.00 -1.58 0.00 0.00 42.46 37.79 2re2 s ILE 23 CO 0.05 0.39 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.69 2re2 s TYR 24 N 1.26 2.61 -0.00 3.97 1.51 -0.11 -0.15 117.35 126.44 2re2 s TYR 24 Ca 0.04 -0.22 0.08 0.00 -1.01 0.00 0.00 57.07 55.96 2re2 s TYR 24 Cb -0.15 -1.42 -0.02 0.00 -0.11 0.00 0.00 41.96 40.27 2re2 s TYR 24 CO 0.02 0.36 -0.25 -2.00 -1.11 0.00 0.00 175.55 172.57 2re2 s GLU 25 N -1.92 2.05 0.03 -0.62 2.12 0.24 -0.56 118.70 120.04 2re2 s GLU 25 Ca 0.18 -0.97 0.01 0.00 0.36 0.00 0.00 54.97 54.55 2re2 s GLU 25 Cb -0.11 -2.05 -0.02 0.00 0.26 0.00 0.00 34.13 32.21 2re2 s GLU 25 CO 0.09 0.55 -0.05 -0.08 -0.54 0.00 0.00 175.26 175.24 2re2 s THR 26 N -0.69 0.26 -2.15 -1.70 -1.32 -1.26 -0.71 115.64 108.07 2re2 s THR 26 Ca 0.11 -1.03 0.19 0.00 -1.21 0.00 0.00 61.69 59.75 2re2 s THR 26 Cb -0.10 -0.46 0.47 0.00 -1.51 0.00 0.00 72.50 70.90 2re2 s THR 26 CO 0.00 -0.49 1.43 -0.90 -2.21 0.00 0.00 174.62 172.45 2re2 n ASP 27 N 1.45 2.85 0.00 8.08 5.68 -1.06 -4.28 116.55 129.27 2re2 n ASP 27 Ca -0.23 -1.95 0.00 0.00 -0.50 0.00 0.00 54.79 52.11 2re2 n ASP 27 Cb 0.55 -0.30 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 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 1.37 2.95 1.72 6.12 0.00 -1.26 -4.80 105.19 111.29 2re2 n GLY 28 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.42 -0.11 3.77 -0.02 0.00 -1.26 -4.91 105.19 101.24 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 -5.12 7.22 -0.01 1.61 0.01 -1.26 -5.06 114.94 112.33 2re2 s ASN 30 Ca 0.00 2.08 0.04 0.00 -0.71 0.00 0.00 52.86 54.27 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 -0.16 -0.13 -0.69 -1.51 0.00 0.00 177.10 174.61 2re2 s VAL 31 N -1.37 1.05 -0.04 1.60 1.01 -1.26 -2.58 120.40 118.81 2re2 s VAL 31 Ca 0.48 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.91 2re2 s VAL 31 Cb -0.26 -0.88 0.01 0.00 0.00 0.00 0.00 36.38 35.25 2re2 s VAL 31 CO 0.33 0.29 -0.09 0.00 0.00 0.00 0.00 175.10 175.63 2re2 s ARG 32 N -0.33 1.21 -0.23 2.72 3.03 0.11 -4.98 118.95 120.48 2re2 s ARG 32 Ca 0.05 -0.31 -0.29 0.00 2.03 0.00 0.00 55.73 57.21 2re2 s ARG 32 Cb -0.05 -1.08 -0.02 0.00 -1.03 0.00 0.00 34.95 32.78 2re2 s ARG 32 CO -0.00 0.05 1.45 -1.17 -1.13 0.00 0.00 175.30 174.49 2re2 s LEU 33 N 0.50 3.96 -0.11 -1.89 2.96 -1.26 -0.59 118.68 122.25 2re2 s LEU 33 Ca -0.09 1.51 -0.26 0.00 -0.22 0.00 0.00 54.13 55.07 2re2 s LEU 33 Cb -0.12 -3.54 -0.28 0.00 0.50 0.00 0.00 46.19 42.75 2re2 s LEU 33 CO 0.02 -1.10 0.82 0.40 -1.32 0.00 0.00 176.35 175.17 2re2 h ILE 34 N 5.94 1.69 -1.86 6.68 2.04 -0.89 -3.48 117.51 127.64 2re2 h ILE 34 Ca -0.30 -2.42 0.21 0.00 1.00 0.00 0.00 64.86 63.36 2re2 h ILE 34 Cb 1.13 3.32 -0.14 0.00 -0.74 0.00 0.00 36.82 40.39 2re2 h ILE 34 CO 1.01 0.65 0.67 -1.83 0.00 0.00 0.00 178.15 178.64 2re2 s GLU 35 N -2.30 0.63 0.02 2.37 -1.05 -1.15 -5.02 118.70 112.19 2re2 s GLU 35 Ca -0.17 -0.29 0.00 0.00 -0.15 0.00 0.00 54.97 54.36 2re2 s GLU 35 Cb -0.02 0.26 -0.02 0.00 -0.44 0.00 0.00 34.13 33.91 2re2 s GLU 35 CO 0.74 -0.28 -0.03 0.15 0.95 0.00 0.00 175.26 176.79 2re2 s LYS 36 N -2.78 0.27 0.07 -4.83 1.02 -1.26 -0.78 119.74 111.45 2re2 s LYS 36 Ca 0.10 -0.52 -0.14 0.00 0.02 0.00 0.00 55.97 55.43 2re2 s LYS 36 Cb 0.00 0.09 0.02 0.00 -0.52 0.00 0.00 37.83 37.42 2re2 s LYS 36 CO -0.04 -0.04 0.31 1.52 -0.92 0.00 0.00 175.35 176.18 2re2 s TYR 37 N -1.23 -0.10 0.23 3.18 1.13 -0.47 -5.00 117.35 115.08 2re2 s TYR 37 Ca -0.13 -0.12 -0.30 0.00 -1.41 0.00 0.00 57.07 55.10 2re2 s TYR 37 Cb -0.08 0.11 -0.10 0.00 -1.10 0.00 0.00 41.96 40.79 2re2 s TYR 37 CO -0.01 -0.56 1.42 0.45 -2.51 0.00 0.00 175.55 174.34 2re2 s SER 38 N -2.35 6.70 -0.07 -0.18 0.15 -1.26 -0.89 113.70 115.80 2re2 s SER 38 Ca -0.02 2.60 -0.30 0.00 0.70 0.00 0.00 55.95 58.93 2re2 s SER 38 Cb 0.01 -2.62 -0.06 0.00 -1.71 0.00 0.00 66.02 61.64 2re2 s SER 38 CO -0.06 -0.67 1.76 0.21 1.20 0.00 0.00 173.24 175.67 2re2 s ASN 39 N 0.45 6.49 0.41 5.45 2.47 -0.58 -4.75 114.94 124.88 2re2 s ASN 39 Ca 0.60 2.22 0.29 0.00 0.42 0.00 0.00 52.86 56.38 2re2 s ASN 39 Cb -0.41 -2.53 1.25 0.00 -1.45 0.00 0.00 41.25 38.12 2re2 s ASN 39 CO 0.41 -1.08 1.86 1.55 -3.72 0.00 0.00 177.10 176.13 2re2 h PRO 40 N 10.33 0.00 -1.00 0.43 0.13 -1.91 -2.27 132.00 137.71 2re2 h PRO 40 Ca -0.41 0.00 0.23 0.00 -0.87 0.00 0.00 66.00 64.95 2re2 h PRO 40 Cb 1.19 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.23 2re2 h PRO 40 CO 0.96 0.00 0.63 0.00 -0.23 0.00 0.00 178.00 179.36 2re2 h ALA 41 N 2.12 2.06 0.00 -0.56 0.00 -1.84 -1.20 119.26 119.83 2re2 h ALA 41 Ca 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2re2 h ALA 41 Cb 0.37 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2re2 h ALA 41 CO 0.00 -0.43 -0.01 -0.07 0.00 0.00 0.00 179.25 178.74 2re2 h LEU 42 N 0.50 0.00 -0.02 0.00 3.38 -1.65 -2.02 115.31 115.50 2re2 h LEU 42 Ca 0.56 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.53 2re2 h LEU 42 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2re2 h LEU 42 CO -0.30 0.01 -0.68 0.59 0.09 0.00 0.00 178.44 178.15 2re2 n ASN 43 N -3.12 0.72 -4.80 -0.43 3.02 -0.46 -4.92 115.26 105.26 2re2 n ASN 43 Ca -0.00 -0.56 -0.36 0.00 -0.03 0.00 0.00 54.58 53.62 2re2 n ASN 43 Cb 0.27 0.53 -0.06 0.00 -0.61 0.00 0.00 39.78 39.91 2re2 n ASN 43 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2re2 s ALA 44 N -2.98 3.36 -0.05 5.41 0.00 -0.76 -4.99 121.76 121.75 2re2 s ALA 44 Ca 0.10 0.27 -0.20 0.00 0.00 0.00 0.00 51.96 52.13 2re2 s ALA 44 Cb 0.17 -2.93 -0.31 0.00 0.00 0.00 0.00 23.12 20.05 2re2 s ALA 44 CO 0.76 0.28 0.86 1.15 0.00 0.00 0.00 175.76 178.82 2re2 h THR 45 N 2.73 1.43 -3.00 0.00 2.02 -1.91 -3.46 112.91 110.72 2re2 h THR 45 Ca -0.48 -2.54 -0.45 0.00 0.77 0.00 0.00 66.41 63.72 2re2 h THR 45 Cb 1.19 3.13 -0.14 0.00 -1.74 0.00 0.00 68.15 70.59 2re2 h THR 45 CO 0.65 0.73 -0.63 0.00 0.37 0.00 0.00 175.52 176.64 2re2 s ALA 46 N -2.45 2.19 -1.44 6.16 0.00 -1.26 -4.84 121.76 120.12 2re2 s ALA 46 Ca -0.14 -1.97 -0.10 0.00 0.00 0.00 0.00 51.96 49.75 2re2 s ALA 46 Cb 0.02 0.62 0.06 0.00 0.00 0.00 0.00 23.12 23.81 2re2 s ALA 46 CO 0.84 -0.29 0.72 0.00 0.00 0.00 0.00 175.76 177.03 2re2 n ALA 47 N -0.60 -1.13 -0.04 0.00 0.00 -1.26 -4.85 120.51 112.63 2re2 n ALA 47 Ca -0.03 0.19 -0.10 0.00 0.00 0.00 0.00 53.44 53.50 2re2 n ALA 47 Cb 0.66 -3.76 -0.03 0.00 0.00 0.00 0.00 19.45 16.31 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 -1.53 0.23 -0.70 0.00 3.08 -1.88 -1.79 114.38 111.79 2re2 h ARG 48 Ca -0.51 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.49 2re2 h ARG 48 Cb 1.34 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.31 2re2 h ARG 48 CO 0.59 0.15 0.32 0.78 -1.07 0.00 0.00 179.97 180.75 2re2 h GLY 49 N 0.24 1.10 0.83 0.04 0.00 -1.85 -2.46 103.07 100.98 2re2 h GLY 49 Ca 0.08 -0.57 0.05 0.00 0.00 0.00 0.00 47.33 46.89 2re2 h GLY 49 CO -0.03 0.54 0.65 -2.08 0.00 0.00 0.00 176.54 175.61 2re2 h VAL 50 N 0.99 1.14 0.00 4.60 2.07 -1.78 -1.47 116.25 121.80 2re2 h VAL 50 Ca 0.24 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.34 2re2 h VAL 50 Cb 0.15 -0.19 0.00 0.00 -1.52 0.00 0.00 31.29 29.73 2re2 h VAL 50 CO -0.03 0.22 0.00 0.49 0.02 0.00 0.00 177.57 178.28 2re2 n PHE 51 N -4.47 0.00 0.00 1.57 3.01 -0.72 -0.65 117.46 116.20 2re2 n PHE 51 Ca 0.14 -0.34 0.00 0.00 1.01 0.00 0.00 57.45 58.26 2re2 n PHE 51 Cb 0.13 -0.26 0.00 0.00 -0.01 0.00 0.00 39.48 39.33 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 1.25 0.00 -0.24 4.37 4.77 -0.55 -1.84 117.00 124.75 2re2 n LEU 53 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 2re2 n LEU 53 Cb 0.23 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.41 2re2 n LEU 53 CO 0.00 0.00 1.11 0.11 -1.33 0.00 0.00 177.39 177.28 2re2 h LYS 54 N 0.00 0.74 -0.67 3.23 1.57 -1.15 -2.06 116.57 118.23 2re2 h LYS 54 Ca 0.00 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 2re2 h LYS 54 Cb 0.00 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 2re2 h LYS 54 CO 0.00 0.49 0.18 0.66 -0.57 0.00 0.00 179.45 180.20 2re2 h SER 55 N 0.76 0.99 -0.95 0.86 4.64 -1.62 -1.69 113.55 116.54 2re2 h SER 55 Ca 0.29 -0.19 0.01 0.00 -0.47 0.00 0.00 61.79 61.43 2re2 h SER 55 Cb 0.11 -0.26 -0.05 0.00 -0.31 0.00 0.00 62.40 61.90 2re2 h SER 55 CO -0.15 0.94 0.63 0.00 -0.87 0.00 0.00 176.83 177.38 2re2 h ALA 56 N 1.18 1.20 -0.32 5.18 0.00 -1.71 -1.05 119.26 123.74 2re2 h ALA 56 Ca 0.21 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2re2 h ALA 56 Cb 0.33 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2re2 h ALA 56 CO -0.00 0.59 0.17 1.25 0.00 0.00 0.00 179.25 181.26 2re2 h LEU 57 N 1.28 0.27 -1.49 0.00 5.85 -1.00 -1.61 115.31 118.60 2re2 h LEU 57 Ca 0.35 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.07 2re2 h LEU 57 Cb -0.14 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 2re2 h LEU 57 CO -0.08 0.20 0.23 0.44 -0.34 0.00 0.00 178.44 178.89 2re2 h ASP 58 N 0.35 0.50 -0.05 1.25 3.32 -0.64 -0.25 116.42 120.92 2re2 h ASP 58 Ca 0.13 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2re2 h ASP 58 Cb 0.03 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.45 2re2 h ASP 58 CO -0.08 0.41 0.00 1.41 -1.72 0.00 0.00 179.24 179.26 2re2 n HIS 59 N -4.43 0.06 -1.02 4.55 8.25 -0.46 -4.90 115.22 117.27 2re2 n HIS 59 Ca 0.03 -0.03 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 2re2 n HIS 59 Cb 0.10 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.20 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 0.71 0.46 3.77 -1.41 0.00 -0.10 -5.00 105.19 103.61 2re2 n GLY 60 Ca 0.07 -0.76 -0.40 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.01 3.25 -0.08 4.61 0.00 -0.66 -4.75 121.76 122.12 2re2 s ALA 61 Ca 0.00 1.48 0.21 0.00 0.00 0.00 0.00 51.96 53.65 2re2 s ALA 61 Cb 0.00 -3.59 -0.28 0.00 0.00 0.00 0.00 23.12 19.24 2re2 s ALA 61 CO 0.00 -1.20 0.50 0.09 0.00 0.00 0.00 175.76 175.15 2re2 n ASN 62 N -0.19 0.13 -3.65 0.00 4.13 0.27 -4.78 115.26 111.17 2re2 n ASN 62 Ca 0.05 0.05 -0.14 0.00 1.68 0.00 0.00 54.58 56.22 2re2 n ASN 62 Cb 0.42 1.63 -0.07 0.00 -1.54 0.00 0.00 39.78 40.22 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 -3.35 -1.17 -0.02 5.41 0.00 -1.01 -3.02 121.76 118.61 2re2 s ALA 63 Ca -0.07 0.60 0.01 0.00 0.00 0.00 0.00 51.96 52.50 2re2 s ALA 63 Cb 0.12 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 2re2 s ALA 63 CO 0.88 -0.38 -0.01 -0.51 0.00 0.00 0.00 175.76 175.74 2re2 s LEU 64 N -1.58 3.44 -0.20 0.00 1.02 -0.03 -1.05 118.68 120.28 2re2 s LEU 64 Ca -0.09 -0.01 0.00 0.00 0.02 0.00 0.00 54.13 54.05 2re2 s LEU 64 Cb -0.02 -1.93 0.05 0.00 0.02 0.00 0.00 46.19 44.30 2re2 s LEU 64 CO 0.03 0.30 -0.07 -0.69 0.02 0.00 0.00 176.35 175.93 2re2 s VAL 65 N -1.03 1.45 0.08 -1.59 1.01 -0.02 -0.48 120.40 119.82 2re2 s VAL 65 Ca 0.18 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 2re2 s VAL 65 Cb -0.11 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 2re2 s VAL 65 CO 0.08 0.08 -0.01 -0.76 0.00 0.00 0.00 175.10 174.50 2re2 s LEU 66 N 1.47 2.29 0.00 3.92 1.43 -0.71 -2.10 118.68 124.97 2re2 s LEU 66 Ca -0.02 -1.06 0.24 0.00 -1.03 0.00 0.00 54.13 52.26 2re2 s LEU 66 Cb -0.17 0.20 0.40 0.00 0.03 0.00 0.00 46.19 46.66 2re2 s LEU 66 CO -0.08 -0.63 1.34 -1.54 0.23 0.00 0.00 176.35 175.68 2re2 n SER 67 N 0.03 0.88 -3.53 2.29 3.41 -0.62 -1.19 113.62 114.89 2re2 n SER 67 Ca -0.11 -0.68 -0.07 0.00 -0.26 0.00 0.00 58.87 57.74 2re2 n SER 67 Cb 0.62 0.37 -0.02 0.00 -0.26 0.00 0.00 64.21 64.91 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 -2.81 0.70 -0.22 4.33 -1.05 -1.26 -4.68 118.70 113.72 2re2 s GLU 68 Ca 0.15 -0.26 -0.18 0.00 -0.15 0.00 0.00 54.97 54.53 2re2 s GLU 68 Cb 0.18 0.32 0.06 0.00 -0.44 0.00 0.00 34.13 34.25 2re2 s GLU 68 CO 0.67 -0.31 0.56 -1.50 0.95 0.00 0.00 175.26 175.63 2re2 s ILE 69 N -2.95 -0.00 0.76 1.83 2.07 -1.26 -4.43 121.20 117.21 2re2 s ILE 69 Ca 0.06 0.01 -0.04 0.00 -1.41 0.00 0.00 60.65 59.27 2re2 s ILE 69 Cb -0.01 -0.79 0.13 0.00 0.13 0.00 0.00 42.46 41.92 2re2 s ILE 69 CO -0.08 0.00 1.05 -0.83 -1.91 0.00 0.00 174.94 173.18 2re2 s GLY 70 N 0.58 1.76 0.06 1.50 0.00 -1.26 -0.91 107.32 109.05 2re2 s GLY 70 Ca -0.02 -1.57 -0.20 0.00 0.00 0.00 0.00 44.72 42.93 2re2 s GLY 70 CO -0.03 -0.98 1.43 0.23 0.00 0.00 0.00 173.10 173.76 2re2 h SER 71 N -0.74 0.36 -0.99 1.64 0.87 -1.91 -0.10 113.55 112.68 2re2 h SER 71 Ca -0.39 -0.38 0.03 0.00 -1.23 0.00 0.00 61.79 59.82 2re2 h SER 71 Cb 1.26 -0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 63.07 2re2 h SER 71 CO 0.41 0.66 0.65 -0.65 -0.53 0.00 0.00 176.83 177.37 2re2 h PRO 72 N 0.05 1.22 -0.20 2.24 0.11 -1.96 0.29 132.00 133.76 2re2 h PRO 72 Ca 0.04 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 2re2 h PRO 72 Cb 0.51 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 2re2 h PRO 72 CO 0.02 0.81 0.04 0.78 -0.21 0.00 0.00 178.00 179.44 2re2 h GLY 73 N 1.26 0.34 0.95 -0.55 0.00 -1.91 -1.20 103.07 101.96 2re2 h GLY 73 Ca 0.39 -0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.51 2re2 h GLY 73 CO -0.12 0.21 0.46 -2.75 0.00 0.00 0.00 176.54 174.33 2re2 h PHE 74 N 0.12 0.86 -0.72 5.60 3.57 -0.72 -2.12 116.94 123.53 2re2 h PHE 74 Ca 0.06 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 2re2 h PHE 74 Cb 0.29 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 2re2 h PHE 74 CO 0.02 0.52 0.26 -0.91 -2.23 0.00 0.00 178.31 175.97 2re2 h ASN 75 N 0.91 1.00 -0.71 0.41 2.35 -0.79 -0.02 115.58 118.74 2re2 h ASN 75 Ca 0.27 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 2re2 h ASN 75 Cb -0.05 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.02 2re2 h ASN 75 CO -0.08 0.91 0.40 0.15 -1.65 0.00 0.00 177.43 177.16 2re2 h PHE 76 N 1.05 0.99 0.00 1.19 3.57 -0.81 -3.31 116.94 119.62 2re2 h PHE 76 Ca 0.24 -0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.55 2re2 h PHE 76 Cb 0.24 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 2re2 h PHE 76 CO 0.02 0.69 -2.12 1.51 -2.23 0.00 0.00 178.31 176.17 2re2 n ILE 77 N -4.36 0.68 0.03 1.41 0.00 -0.83 -4.74 119.36 111.55 2re2 n ILE 77 Ca 0.07 -0.67 0.04 0.00 0.00 0.00 0.00 62.75 62.20 2re2 n ILE 77 Cb 0.10 -0.25 0.44 0.00 0.00 0.00 0.00 39.64 39.94 2re2 n ILE 77 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 2re2 h LYS 78 N 0.00 0.47 -0.64 9.51 2.10 -1.10 0.21 116.57 127.12 2re2 h LYS 78 Ca -0.25 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 2re2 h LYS 78 Cb 1.57 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.80 2re2 h LYS 78 CO 0.02 0.32 0.00 0.09 -2.00 0.00 0.00 179.45 177.88 2re2 n ASN 79 N -4.47 3.68 -0.00 7.07 3.02 -1.26 -4.79 115.26 118.50 2re2 n ASN 79 Ca 0.02 -2.12 0.05 0.00 -0.03 0.00 0.00 54.58 52.50 2re2 n ASN 79 Cb 0.07 -0.46 -0.06 0.00 -0.61 0.00 0.00 39.78 38.71 2re2 n ASN 79 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2re2 n LYS 80 N 1.24 2.39 -4.03 3.52 5.02 0.73 -5.25 118.16 121.79 2re2 n LYS 80 Ca 0.22 -0.04 -0.27 0.00 -2.02 0.00 0.00 58.31 56.20 2re2 n LYS 80 Cb 0.62 -1.07 -0.05 0.00 -0.02 0.00 0.00 35.03 34.51 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 -2.41 5.81 -0.13 4.39 1.01 -1.17 -4.98 116.67 119.20 2re2 s ASP 82 Ca 0.01 -0.00 0.02 0.00 0.71 0.00 0.00 52.55 53.28 2re2 s ASP 82 Cb 0.07 -1.61 0.01 0.00 1.01 0.00 0.00 42.92 42.40 2re2 s ASP 82 CO 0.40 0.08 -0.18 -0.69 0.21 0.00 0.00 175.17 175.00 2re2 s VAL 83 N -1.68 1.75 -0.26 -1.27 1.01 -1.26 -0.85 120.40 117.84 2re2 s VAL 83 Ca 0.32 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 2re2 s VAL 83 Cb -0.11 -1.58 0.02 0.00 0.00 0.00 0.00 36.38 34.71 2re2 s VAL 83 CO 0.25 0.49 -0.02 -0.31 0.00 0.00 0.00 175.10 175.51 2re2 s TYR 84 N 0.97 3.07 -0.20 5.22 2.02 0.37 -0.27 117.35 128.53 2re2 s TYR 84 Ca -0.05 -1.29 -0.16 0.00 -0.37 0.00 0.00 57.07 55.20 2re2 s TYR 84 Cb -0.15 -2.12 -0.04 0.00 -0.40 0.00 0.00 41.96 39.25 2re2 s TYR 84 CO -0.03 -0.66 0.42 0.42 -1.57 0.00 0.00 175.55 174.13 2re2 s ILE 85 N 1.40 5.19 0.15 2.71 -1.09 -1.26 -1.74 121.20 126.56 2re2 s ILE 85 Ca 0.02 0.75 0.05 0.00 -2.23 0.00 0.00 60.65 59.23 2re2 s ILE 85 Cb -0.16 -3.75 -0.04 0.00 -1.58 0.00 0.00 42.46 36.93 2re2 s ILE 85 CO -0.02 0.25 -0.11 0.68 -1.23 0.00 0.00 174.94 174.51 2re2 s VAL 86 N 1.30 1.23 0.96 2.92 -7.23 -0.34 -4.98 120.40 114.26 2re2 s VAL 86 Ca 0.20 -2.03 -0.13 0.00 -1.81 0.00 0.00 61.98 58.21 2re2 s VAL 86 Cb -0.15 -1.82 0.06 0.00 0.56 0.00 0.00 36.38 35.02 2re2 s VAL 86 CO 0.08 -0.70 0.47 -2.65 -0.31 0.00 0.00 175.10 171.99 2re2 n PRO 87 N -0.13 -0.42 -2.28 4.82 -0.02 -1.26 -4.14 135.00 131.57 2re2 n PRO 87 Ca -0.11 -0.08 -0.40 0.00 -2.02 0.00 0.00 63.50 60.89 2re2 n PRO 87 Cb 0.60 -1.90 -0.03 0.00 -0.02 0.00 0.00 33.50 32.15 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 -3.74 2.97 0.24 -0.52 2.02 -1.26 -4.69 118.70 113.72 2re2 s GLU 88 Ca 0.58 0.33 -0.29 0.00 0.02 0.00 0.00 54.97 55.60 2re2 s GLU 88 Cb -0.21 -4.26 -0.09 0.00 0.10 0.00 0.00 34.13 29.67 2re2 s GLU 88 CO 0.66 -2.35 0.93 -2.14 0.02 0.00 0.00 175.26 172.38 2re2 s PRO 90 N 6.26 4.82 0.18 0.39 0.02 -1.26 -4.80 135.00 140.60 2re2 s PRO 90 Ca 0.54 1.45 -0.13 0.00 0.02 0.00 0.00 61.00 62.88 2re2 s PRO 90 Cb -0.11 -3.25 0.17 0.00 0.02 0.00 0.00 34.50 31.34 2re2 s PRO 90 CO 0.20 0.51 1.73 0.28 -0.33 0.00 0.00 177.00 179.39 2re2 h VAL 91 N 3.13 0.77 -0.53 3.83 2.07 -1.89 -2.02 116.25 121.61 2re2 h VAL 91 Ca -0.45 -0.09 -0.06 0.00 0.82 0.00 0.00 66.70 66.91 2re2 h VAL 91 Cb 1.20 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 2re2 h VAL 91 CO 0.68 0.05 0.09 0.00 0.02 0.00 0.00 177.57 178.40 2re2 h ALA 92 N 1.36 1.16 -0.31 1.67 0.00 -1.99 -0.56 119.26 120.59 2re2 h ALA 92 Ca 0.24 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2re2 h ALA 92 Cb 0.30 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2re2 h ALA 92 CO -0.29 0.56 -0.27 -0.44 0.00 0.00 0.00 179.25 178.81 2re2 h ASP 93 N 0.80 0.63 -0.21 0.00 3.32 -1.86 -1.11 116.42 117.98 2re2 h ASP 93 Ca 0.17 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 2re2 h ASP 93 Cb 0.36 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 2re2 h ASP 93 CO 0.01 0.88 -0.05 0.00 -1.72 0.00 0.00 179.24 178.35 2re2 h ALA 94 N 1.17 0.29 -0.38 3.45 0.00 -0.92 -2.64 119.26 120.23 2re2 h ALA 94 Ca 0.07 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 2re2 h ALA 94 Cb 0.74 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2re2 h ALA 94 CO 0.06 0.08 -0.02 -0.07 0.00 0.00 0.00 179.25 179.30 2re2 h LEU 95 N 0.14 0.58 -0.04 0.00 3.38 -0.91 -1.48 115.31 116.99 2re2 h LEU 95 Ca 0.05 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2re2 h LEU 95 Cb 0.50 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2re2 h LEU 95 CO 0.02 0.67 0.01 0.50 0.09 0.00 0.00 178.44 179.72 2re2 h LYS 96 N 0.58 0.03 -0.54 1.13 3.64 -1.10 0.71 116.57 121.02 2re2 h LYS 96 Ca 0.12 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.56 2re2 h LYS 96 Cb 0.39 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.16 2re2 h LYS 96 CO 0.02 0.02 0.25 -0.07 -2.27 0.00 0.00 179.45 177.39 2re2 h LEU 97 N 0.03 0.33 -0.01 5.20 3.38 -1.10 -1.40 115.31 121.73 2re2 h LEU 97 Ca 0.02 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2re2 h LEU 97 Cb 0.01 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2re2 h LEU 97 CO -0.02 0.22 0.01 0.40 0.09 0.00 0.00 178.44 179.14 2re2 h ILE 98 N 0.48 1.01 0.00 1.22 2.04 -0.96 -0.77 117.51 120.54 2re2 h ILE 98 Ca 0.25 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 66.04 2re2 h ILE 98 Cb 0.20 1.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 2re2 h ILE 98 CO -0.20 0.01 -0.16 -0.07 0.00 0.00 0.00 178.15 177.73 2re2 h LEU 99 N 0.01 0.00 -1.59 1.44 3.38 -0.61 -2.01 115.31 115.94 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 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2re2 h LEU 99 CO -0.00 0.16 0.00 -0.62 0.09 0.00 0.00 178.44 178.07 2re2 n GLU 100 N -3.51 2.00 -1.04 1.13 1.02 -0.55 -4.94 120.64 114.77 2re2 n GLU 100 Ca -0.01 -1.56 -0.00 0.00 -0.02 0.00 0.00 57.16 55.57 2re2 n GLU 100 Cb 0.32 -1.35 -0.00 0.00 -0.02 0.00 0.00 31.44 30.39 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 1.20 0.39 0.50 0.62 0.00 -0.75 -4.94 105.19 102.20 2re2 n GLY 101 Ca 0.15 -1.08 0.13 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.94 1.55 -3.71 1.61 4.76 -0.31 -4.73 118.16 114.39 2re2 n LYS 102 Ca -0.00 -1.00 -0.29 0.00 -2.87 0.00 0.00 58.31 54.15 2re2 n LYS 102 Cb 0.02 -1.48 -0.16 0.00 -1.84 0.00 0.00 35.03 31.57 2re2 n LYS 102 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2re2 s VAL 103 N -2.14 0.60 0.39 -0.18 1.01 -1.25 -4.93 120.40 113.89 2re2 s VAL 103 Ca 0.32 -0.92 -0.25 0.00 0.00 0.00 0.00 61.98 61.14 2re2 s VAL 103 Cb 0.20 -1.28 -0.09 0.00 0.00 0.00 0.00 36.38 35.22 2re2 s VAL 103 CO 0.39 -0.45 1.12 -0.94 0.00 0.00 0.00 175.10 175.21 2re2 s SER 104 N 1.79 6.64 0.47 3.32 1.04 -1.26 -4.90 113.70 120.80 2re2 s SER 104 Ca 0.04 2.23 -0.24 0.00 0.48 0.00 0.00 55.95 58.46 2re2 s SER 104 Cb -0.17 -2.60 -0.08 0.00 0.10 0.00 0.00 66.02 63.27 2re2 s SER 104 CO -0.18 -0.58 1.33 -2.65 0.98 0.00 0.00 173.24 172.14 2re2 n PRO 105 N 0.08 1.94 -2.08 4.02 -0.02 -1.26 -4.74 135.00 132.94 2re2 n PRO 105 Ca 0.04 0.70 -0.39 0.00 -2.02 0.00 0.00 63.50 61.83 2re2 n PRO 105 Cb 0.48 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 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 -1.23 3.11 -0.44 3.55 0.00 0.63 -4.93 121.76 122.46 2re2 s ALA 106 Ca 0.64 1.16 0.04 0.00 0.00 0.00 0.00 51.96 53.80 2re2 s ALA 106 Cb -0.46 -3.47 0.08 0.00 0.00 0.00 0.00 23.12 19.28 2re2 s ALA 106 CO 0.55 -0.85 0.90 0.25 0.00 0.00 0.00 175.76 176.61 2re2 n THR 107 N -0.21 0.57 -3.53 0.00 -2.24 -1.26 -4.74 114.28 102.87 2re2 n THR 107 Ca 0.06 -0.79 -0.14 0.00 -2.27 0.00 0.00 64.05 60.91 2re2 n THR 107 Cb 0.45 0.75 -0.05 0.00 -2.10 0.00 0.00 70.33 69.39 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 -0.72 -1.45 0.80 6.98 0.00 -1.26 -5.16 121.76 120.95 2re2 s ALA 108 Ca 0.07 0.67 -0.12 0.00 0.00 0.00 0.00 51.96 52.59 2re2 s ALA 108 Cb 0.04 0.44 0.08 0.00 0.00 0.00 0.00 23.12 23.68 2re2 s ALA 108 CO 0.06 -0.54 1.13 -1.25 0.00 0.00 0.00 175.76 175.16 2re2 s PRO 109 N -2.57 1.84 0.20 0.00 0.04 -1.26 -4.96 135.00 128.29 2re2 s PRO 109 Ca -0.05 1.44 0.20 0.00 0.04 0.00 0.00 61.00 62.63 2re2 s PRO 109 Cb -0.01 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.71 2re2 s PRO 109 CO -0.03 -2.00 1.09 1.79 0.04 0.00 0.00 177.00 177.90 2re2 h THR 110 N -1.13 0.24 -3.94 1.26 1.35 -1.35 -3.46 112.91 105.88 2re2 h THR 110 Ca -0.44 -1.44 -0.24 0.00 -0.55 0.00 0.00 66.41 63.74 2re2 h THR 110 Cb 1.26 1.82 -0.22 0.00 -1.73 0.00 0.00 68.15 69.28 2re2 h THR 110 CO 0.48 0.14 -0.72 -1.38 -0.25 0.00 0.00 175.52 173.78 2re2 s HIS 111 N -3.17 0.43 -0.30 4.73 -3.43 -1.10 -4.96 115.29 107.50 2re2 s HIS 111 Ca 0.00 -0.42 -0.05 0.00 -0.80 0.00 0.00 55.06 53.79 2re2 s HIS 111 Cb 0.08 -0.27 0.16 0.00 -1.43 0.00 0.00 32.58 31.12 2re2 s HIS 111 CO 0.78 -0.11 0.62 0.34 -2.00 0.00 0.00 174.74 174.37 2re2 s ASP 112 N -1.24 -1.28 -0.27 7.38 -1.08 -1.26 -2.79 116.67 116.13 2re2 s ASP 112 Ca -0.10 1.18 0.11 0.00 -0.52 0.00 0.00 52.55 53.22 2re2 s ASP 112 Cb -0.08 2.22 0.47 0.00 -1.46 0.00 0.00 42.92 44.06 2re2 s ASP 112 CO -0.00 -0.24 1.18 1.41 0.52 0.00 0.00 175.17 178.03 2re2 n HIS 113 N 5.44 2.12 1.65 -5.34 8.25 -1.26 -5.05 115.22 121.02 2re2 n HIS 113 Ca -0.06 -2.09 0.15 0.00 -0.26 0.00 0.00 57.72 55.46 2re2 n HIS 113 Cb 0.50 -0.30 0.65 0.00 1.12 0.00 0.00 29.99 31.96 2re2 n HIS 113 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39