#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eh0 n SER 2 N 0.00 0.17 -4.30 1.61 3.41 -1.26 -4.82 113.62 108.43 2eh0 n SER 2 Ca 0.00 0.24 -0.26 0.00 -0.26 0.00 0.00 58.87 58.58 2eh0 n SER 2 Cb 0.00 -0.24 -0.13 0.00 -0.26 0.00 0.00 64.21 63.58 2eh0 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2eh0 s SER 3 N -3.00 2.75 0.00 4.04 0.01 -1.26 -5.03 113.70 111.22 2eh0 s SER 3 Ca 0.13 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 56.76 2eh0 s SER 3 Cb 0.18 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.22 2eh0 s SER 3 CO 0.59 0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.99 2eh0 n GLY 4 N 1.38 -0.33 3.53 3.44 0.00 -1.26 -4.88 105.19 107.07 2eh0 n GLY 4 Ca -0.18 -0.89 -0.38 0.00 0.00 0.00 0.00 46.02 44.56 2eh0 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eh0 n SER 5 N 0.00 1.47 0.39 1.61 7.64 -1.26 -4.82 113.62 118.65 2eh0 n SER 5 Ca 0.00 -0.22 -0.15 0.00 1.01 0.00 0.00 58.87 59.51 2eh0 n SER 5 Cb 0.00 -1.31 -0.07 0.00 -1.01 0.00 0.00 64.21 61.82 2eh0 n SER 5 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2eh0 h SER 6 N 16.44 -0.83 -0.17 6.43 0.02 -1.94 -3.50 113.55 130.01 2eh0 h SER 6 Ca -0.16 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2eh0 h SER 6 Cb 1.29 0.21 0.00 0.00 0.14 0.00 0.00 62.40 64.04 2eh0 h SER 6 CO 1.26 -0.59 0.00 0.61 -1.14 0.00 0.00 176.83 176.97 2eh0 n GLY 7 N -1.43 1.39 3.15 -3.77 0.00 -1.26 -4.72 105.19 98.54 2eh0 n GLY 7 Ca -0.12 -1.32 -0.13 0.00 0.00 0.00 0.00 46.02 44.45 2eh0 n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2eh0 s THR 8 N -0.03 -0.00 0.09 2.61 2.01 -1.26 -4.72 115.64 114.33 2eh0 s THR 8 Ca 0.00 0.01 -0.31 0.00 0.31 0.00 0.00 61.69 61.70 2eh0 s THR 8 Cb 0.00 -0.38 -0.07 0.00 0.01 0.00 0.00 72.50 72.06 2eh0 s THR 8 CO 0.00 0.00 1.38 -2.16 -0.69 0.00 0.00 174.62 173.15 2eh0 s PRO 9 N 0.23 4.32 -0.00 4.92 0.04 -1.26 -4.58 135.00 138.67 2eh0 s PRO 9 Ca -0.01 2.04 -0.19 0.00 0.04 0.00 0.00 61.00 62.88 2eh0 s PRO 9 Cb -0.03 -3.32 0.04 0.00 0.04 0.00 0.00 34.50 31.24 2eh0 s PRO 9 CO -0.00 -0.45 0.42 -3.38 0.04 0.00 0.00 177.00 173.62 2eh0 s HIS 10 N 1.33 -0.30 -0.17 0.56 -3.43 -1.12 -0.14 115.29 112.02 2eh0 s HIS 10 Ca 0.64 0.43 -0.10 0.00 -0.80 0.00 0.00 55.06 55.23 2eh0 s HIS 10 Cb -0.35 0.20 -0.05 0.00 -1.43 0.00 0.00 32.58 30.95 2eh0 s HIS 10 CO 0.30 -0.49 0.16 -0.51 -2.00 0.00 0.00 174.74 172.19 2eh0 s LEU 11 N -1.52 4.26 0.03 5.38 1.43 0.81 -0.91 118.68 128.17 2eh0 s LEU 11 Ca -0.10 0.33 0.02 0.00 -1.03 0.00 0.00 54.13 53.35 2eh0 s LEU 11 Cb -0.03 -2.14 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 2eh0 s LEU 11 CO 0.03 0.22 0.01 -0.69 0.23 0.00 0.00 176.35 176.15 2eh0 s VAL 12 N 0.06 4.17 -0.18 -1.59 1.01 -0.59 0.25 120.40 123.53 2eh0 s VAL 12 Ca 0.11 -0.71 -0.26 0.00 0.00 0.00 0.00 61.98 61.12 2eh0 s VAL 12 Cb -0.12 -2.91 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 2eh0 s VAL 12 CO 0.00 0.28 0.85 0.20 0.00 0.00 0.00 175.10 176.43 2eh0 s ASN 13 N -1.84 6.96 0.00 3.32 -0.87 0.23 -1.49 114.94 121.25 2eh0 s ASN 13 Ca 0.22 1.19 0.00 0.00 -1.57 0.00 0.00 52.86 52.70 2eh0 s ASN 13 Cb -0.12 -2.46 0.00 0.00 -0.02 0.00 0.00 41.25 38.65 2eh0 s ASN 13 CO 0.14 -0.42 0.50 0.00 -2.57 0.00 0.00 177.10 174.75 2eh0 n LEU 14 N 5.34 0.60 0.00 0.60 -0.00 -1.26 -4.99 117.00 117.28 2eh0 n LEU 14 Ca 0.05 -0.60 -0.21 0.00 -0.00 0.00 0.00 56.01 55.26 2eh0 n LEU 14 Cb 0.49 0.00 0.20 0.00 -0.00 0.00 0.00 43.42 44.11 2eh0 n LEU 14 CO 0.48 0.15 0.23 -0.46 -0.00 0.00 0.00 177.39 177.80 2eh0 n ASN 15 N -0.12 -3.46 -0.67 1.45 6.94 -1.26 -4.89 115.26 113.25 2eh0 n ASN 15 Ca 0.00 -0.59 0.09 0.00 -0.02 0.00 0.00 54.58 54.06 2eh0 n ASN 15 Cb 0.32 -0.70 0.30 0.00 -2.36 0.00 0.00 39.78 37.33 2eh0 n ASN 15 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 2eh0 n GLU 16 N -4.27 1.87 -3.58 -3.83 0.28 -1.26 -4.58 120.64 105.28 2eh0 n GLU 16 Ca 0.09 -1.32 -0.38 0.00 -0.16 0.00 0.00 57.16 55.39 2eh0 n GLU 16 Cb 0.41 -1.38 -0.05 0.00 1.43 0.00 0.00 31.44 31.84 2eh0 n GLU 16 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2eh0 s ASP 17 N -1.39 6.26 0.00 -1.84 1.11 -1.26 -4.87 116.67 114.67 2eh0 s ASP 17 Ca 0.31 -3.67 0.12 0.00 0.18 0.00 0.00 52.55 49.49 2eh0 s ASP 17 Cb 0.17 -1.97 0.73 0.00 1.07 0.00 0.00 42.92 42.92 2eh0 s ASP 17 CO 0.24 -0.21 1.16 -0.81 1.18 0.00 0.00 175.17 176.73 2eh0 n PRO 18 N 2.44 0.49 0.00 8.23 -0.04 -1.26 -1.77 135.00 143.09 2eh0 n PRO 18 Ca 0.22 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.72 2eh0 n PRO 18 Cb 0.38 -1.39 -0.04 0.00 -0.04 0.00 0.00 33.50 32.41 2eh0 n PRO 18 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2eh0 n LEU 19 N -0.89 0.61 -3.44 1.53 4.77 -1.26 -5.03 117.00 113.29 2eh0 n LEU 19 Ca 0.09 -0.57 -0.48 0.00 -0.03 0.00 0.00 56.01 55.03 2eh0 n LEU 19 Cb 0.04 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.06 2eh0 n LEU 19 CO 0.07 0.14 0.71 1.15 -1.33 0.00 0.00 177.39 178.13 2eh0 n MET 20 N -0.97 0.00 0.00 3.23 0.00 -0.73 -4.70 117.12 113.95 2eh0 n MET 20 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 57.70 57.73 2eh0 n MET 20 Cb 0.15 -1.10 0.04 0.00 0.00 0.00 0.00 33.22 32.31 2eh0 n MET 20 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 2eh0 n SER 21 N 2.35 0.01 -4.79 3.17 7.64 -1.26 -4.68 113.62 116.06 2eh0 n SER 21 Ca 0.20 0.51 -0.29 0.00 1.01 0.00 0.00 58.87 60.29 2eh0 n SER 21 Cb -0.01 -0.51 0.11 0.00 -1.01 0.00 0.00 64.21 62.80 2eh0 n SER 21 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2eh0 s GLU 22 N -3.01 1.63 0.25 1.43 0.41 -1.26 -5.00 118.70 113.14 2eh0 s GLU 22 Ca 0.01 0.50 -0.30 0.00 -0.41 0.00 0.00 54.97 54.77 2eh0 s GLU 22 Cb 0.01 -1.88 -0.09 0.00 -1.78 0.00 0.00 34.13 30.39 2eh0 s GLU 22 CO 0.03 -1.91 1.17 0.00 -0.49 0.00 0.00 175.26 174.07 2eh0 h LEU 24 N 4.39 0.51 -8.40 0.00 -0.00 -1.94 -3.43 115.31 106.43 2eh0 h LEU 24 Ca -0.46 0.14 -0.14 0.00 -0.00 0.00 0.00 57.88 57.41 2eh0 h LEU 24 Cb 1.21 0.07 -0.12 0.00 -0.00 0.00 0.00 40.66 41.82 2eh0 h LEU 24 CO 0.70 -0.01 -0.34 -1.48 -0.00 0.00 0.00 178.44 177.31 2eh0 s LEU 25 N -10.05 0.70 -0.05 1.67 0.05 -1.26 0.75 118.68 110.49 2eh0 s LEU 25 Ca -0.10 -1.14 -0.02 0.00 0.05 0.00 0.00 54.13 52.92 2eh0 s LEU 25 Cb 0.28 1.15 0.03 0.00 -2.05 0.00 0.00 46.19 45.60 2eh0 s LEU 25 CO 0.80 -1.01 0.08 -0.31 -0.55 0.00 0.00 176.35 175.36 2eh0 s TYR 26 N -4.07 -0.01 -0.47 3.48 2.02 0.14 -4.96 117.35 113.48 2eh0 s TYR 26 Ca 0.30 0.34 -0.29 0.00 -0.37 0.00 0.00 57.07 57.05 2eh0 s TYR 26 Cb 0.03 -0.39 0.02 0.00 -0.40 0.00 0.00 41.96 41.22 2eh0 s TYR 26 CO 0.11 -0.20 1.28 0.71 -1.57 0.00 0.00 175.55 175.88 2eh0 s TYR 27 N 2.04 2.57 -0.45 2.71 2.02 -1.26 -0.13 117.35 124.85 2eh0 s TYR 27 Ca 0.02 0.65 -0.28 0.00 -0.37 0.00 0.00 57.07 57.09 2eh0 s TYR 27 Cb -0.12 -4.39 -0.00 0.00 -0.40 0.00 0.00 41.96 37.04 2eh0 s TYR 27 CO -0.04 -1.66 1.56 0.42 -1.57 0.00 0.00 175.55 174.27 2eh0 s ILE 28 N 5.07 3.70 1.04 2.71 1.01 0.81 -4.96 121.20 130.58 2eh0 s ILE 28 Ca 0.54 0.66 -0.15 0.00 0.00 0.00 0.00 60.65 61.70 2eh0 s ILE 28 Cb -0.10 -4.08 0.21 0.00 0.01 0.00 0.00 42.46 38.50 2eh0 s ILE 28 CO 0.31 -0.78 1.15 -1.59 0.00 0.00 0.00 174.94 174.03 2eh0 s LYS 29 N 5.50 0.09 -0.39 2.79 0.00 -1.26 -4.47 119.74 122.00 2eh0 s LYS 29 Ca 0.65 0.07 -0.26 0.00 0.00 0.00 0.00 55.97 56.42 2eh0 s LYS 29 Cb -0.15 -1.74 0.02 0.00 0.00 0.00 0.00 37.83 35.96 2eh0 s LYS 29 CO 0.30 -2.87 0.96 0.34 0.00 0.00 0.00 175.35 174.08 2eh0 s ASP 30 N -4.04 6.67 0.00 0.03 -1.08 -1.26 -4.67 116.67 112.31 2eh0 s ASP 30 Ca 0.68 0.55 0.00 0.00 -0.52 0.00 0.00 52.55 53.26 2eh0 s ASP 30 Cb -0.12 -2.48 0.00 0.00 -1.46 0.00 0.00 42.92 38.87 2eh0 s ASP 30 CO 0.55 -0.92 0.00 0.61 0.52 0.00 0.00 175.17 175.93 2eh0 n GLY 31 N 4.45 -0.11 2.84 2.66 0.00 -1.20 -4.99 105.19 108.84 2eh0 n GLY 31 Ca 0.08 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2eh0 n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2eh0 s ILE 32 N 0.00 0.77 -0.56 -0.61 -1.09 -1.26 -2.57 121.20 115.88 2eh0 s ILE 32 Ca 0.00 -0.21 -0.06 0.00 -2.23 0.00 0.00 60.65 58.15 2eh0 s ILE 32 Cb 0.00 -0.90 0.15 0.00 -1.58 0.00 0.00 42.46 40.13 2eh0 s ILE 32 CO 0.00 0.25 0.41 -0.89 -1.23 0.00 0.00 174.94 173.48 2eh0 s THR 33 N 1.80 4.02 0.05 2.92 2.01 0.12 -4.80 115.64 121.76 2eh0 s THR 33 Ca 0.04 -2.36 -0.31 0.00 0.31 0.00 0.00 61.69 59.37 2eh0 s THR 33 Cb -0.13 -3.63 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 2eh0 s THR 33 CO -0.07 -0.83 1.19 -0.13 -0.69 0.00 0.00 174.62 174.09 2eh0 s ARG 34 N 0.64 4.43 -0.59 4.92 0.52 -1.26 0.25 118.95 127.85 2eh0 s ARG 34 Ca 0.12 1.76 -0.01 0.00 -0.52 0.00 0.00 55.73 57.07 2eh0 s ARG 34 Cb -0.21 -3.36 0.15 0.00 0.52 0.00 0.00 34.95 32.05 2eh0 s ARG 34 CO -0.03 -0.26 0.39 0.08 0.02 0.00 0.00 175.30 175.49 2eh0 s VAL 35 N 1.12 3.43 0.00 3.52 1.01 0.07 -0.29 120.40 129.26 2eh0 s VAL 35 Ca 0.58 -3.01 0.00 0.00 0.00 0.00 0.00 61.98 59.55 2eh0 s VAL 35 Cb -0.29 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 32.82 2eh0 s VAL 35 CO 0.29 -0.85 0.00 0.61 0.00 0.00 0.00 175.10 175.15 2eh0 n GLY 36 N 3.43 1.87 3.71 4.51 0.00 -0.99 -1.52 105.19 116.20 2eh0 n GLY 36 Ca 0.07 0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 2eh0 n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2eh0 s GLN 37 N 2.30 2.13 0.02 1.61 -0.21 -1.18 -1.52 119.66 122.81 2eh0 s GLN 37 Ca 0.00 -2.34 0.18 0.00 0.02 0.00 0.00 55.36 53.22 2eh0 s GLN 37 Cb 0.00 -1.37 -0.17 0.00 1.00 0.00 0.00 33.01 32.47 2eh0 s GLN 37 CO 0.00 -0.36 0.69 0.00 -2.12 0.00 0.00 175.29 173.50 2eh0 n ALA 38 N -1.18 2.00 0.26 6.09 0.00 -1.26 -3.98 120.51 122.44 2eh0 n ALA 38 Ca -0.16 -0.63 0.16 0.00 0.00 0.00 0.00 53.44 52.81 2eh0 n ALA 38 Cb 0.67 -0.84 0.59 0.00 0.00 0.00 0.00 19.45 19.87 2eh0 n ALA 38 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2eh0 h ASP 39 N 0.00 0.00 -1.72 0.00 3.32 -1.97 -3.44 116.42 112.61 2eh0 h ASP 39 Ca -0.19 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.35 2eh0 h ASP 39 Cb 1.58 0.00 0.16 0.00 0.22 0.00 0.00 39.33 41.29 2eh0 h ASP 39 CO 0.04 0.02 -1.01 0.00 -1.72 0.00 0.00 179.24 176.57 2eh0 n ALA 40 N -2.11 -2.92 -0.33 3.45 0.00 -1.26 -4.74 120.51 112.61 2eh0 n ALA 40 Ca 0.01 -0.05 0.18 0.00 0.00 0.00 0.00 53.44 53.57 2eh0 n ALA 40 Cb 0.35 -1.20 0.38 0.00 0.00 0.00 0.00 19.45 18.98 2eh0 n ALA 40 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2eh0 h GLU 41 N -0.03 0.42 -6.12 0.00 4.11 -1.95 -3.42 114.58 107.60 2eh0 h GLU 41 Ca -0.35 -0.03 -0.56 0.00 0.07 0.00 0.00 59.36 58.49 2eh0 h GLU 41 Cb 1.24 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 2eh0 h GLU 41 CO 0.36 0.28 -0.25 1.03 0.07 0.00 0.00 179.01 180.49 2eh0 s ARG 42 N -5.79 2.27 -0.96 1.06 1.81 -1.26 -5.04 118.95 111.04 2eh0 s ARG 42 Ca -0.11 -1.92 -0.21 0.00 -1.72 0.00 0.00 55.73 51.77 2eh0 s ARG 42 Cb 0.27 -2.24 0.08 0.00 -0.45 0.00 0.00 34.95 32.61 2eh0 s ARG 42 CO 0.79 -0.68 1.30 0.50 -0.68 0.00 0.00 175.30 176.53 2eh0 s ARG 43 N -4.38 3.56 0.20 3.54 3.52 -1.26 -4.85 118.95 119.28 2eh0 s ARG 43 Ca 0.41 -1.33 -0.32 0.00 -0.13 0.00 0.00 55.73 54.37 2eh0 s ARG 43 Cb -0.03 -5.10 -0.12 0.00 -1.56 0.00 0.00 34.95 28.15 2eh0 s ARG 43 CO 0.26 -2.02 1.70 -0.65 -0.81 0.00 0.00 175.30 173.78 2eh0 s GLN 44 N 4.07 4.14 0.12 5.12 -1.52 -1.26 -4.88 119.66 125.44 2eh0 s GLN 44 Ca 0.39 2.58 -0.29 0.00 -1.95 0.00 0.00 55.36 56.09 2eh0 s GLN 44 Cb -0.03 -3.08 -0.08 0.00 -0.22 0.00 0.00 33.01 29.60 2eh0 s GLN 44 CO -0.08 -0.73 1.61 0.22 -0.25 0.00 0.00 175.29 176.05 2eh0 h ASP 45 N 6.78 -1.05 -3.58 5.90 1.82 -1.68 -3.42 116.42 121.19 2eh0 h ASP 45 Ca -0.43 0.13 -0.67 0.00 -0.39 0.00 0.00 57.03 55.66 2eh0 h ASP 45 Cb 1.20 0.40 -0.17 0.00 0.68 0.00 0.00 39.33 41.45 2eh0 h ASP 45 CO 0.95 -0.43 -0.70 -0.63 -1.61 0.00 0.00 179.24 176.82 2eh0 s ILE 46 N -5.97 3.68 -0.12 2.25 1.01 0.60 -4.96 121.20 117.69 2eh0 s ILE 46 Ca -0.16 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 59.69 2eh0 s ILE 46 Cb 0.08 -2.62 0.02 0.00 0.01 0.00 0.00 42.46 39.95 2eh0 s ILE 46 CO 0.64 0.36 -0.13 -0.69 0.00 0.00 0.00 174.94 175.12 2eh0 s VAL 47 N -1.03 1.39 0.29 2.92 1.01 -1.26 -2.35 120.40 121.36 2eh0 s VAL 47 Ca 0.18 -0.55 0.12 0.00 0.00 0.00 0.00 61.98 61.72 2eh0 s VAL 47 Cb -0.11 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 2eh0 s VAL 47 CO 0.09 0.42 -0.17 -0.76 0.00 0.00 0.00 175.10 174.68 2eh0 s LEU 48 N 1.26 2.65 0.00 3.92 2.01 -0.57 -5.00 118.68 122.94 2eh0 s LEU 48 Ca -0.01 -1.03 0.00 0.00 0.01 0.00 0.00 54.13 53.10 2eh0 s LEU 48 Cb -0.14 -1.13 0.00 0.00 0.01 0.00 0.00 46.19 44.93 2eh0 s LEU 48 CO -0.05 0.00 0.00 -0.24 1.01 0.00 0.00 176.35 177.07 2eh0 n SER 49 N -0.66 0.00 0.00 2.29 2.88 -1.26 -4.74 113.62 112.13 2eh0 n SER 49 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 2eh0 n SER 49 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 2eh0 n SER 49 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eh0 n GLY 50 N 2.81 0.41 3.62 0.46 0.00 -1.26 -4.29 105.19 106.94 2eh0 n GLY 50 Ca 0.00 0.29 -0.01 0.00 0.00 0.00 0.00 46.02 46.30 2eh0 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2eh0 s ALA 51 N -0.71 -2.44 -0.27 4.61 0.00 -1.26 -5.01 121.76 116.67 2eh0 s ALA 51 Ca 0.00 2.12 -0.00 0.00 0.00 0.00 0.00 51.96 54.08 2eh0 s ALA 51 Cb 0.00 -1.83 -0.00 0.00 0.00 0.00 0.00 23.12 21.29 2eh0 s ALA 51 CO 0.00 -0.40 0.23 1.58 0.00 0.00 0.00 175.76 177.17 2eh0 n HIS 52 N 3.65 -0.51 -4.42 0.00 -0.00 -1.26 -3.89 115.22 108.79 2eh0 n HIS 52 Ca -0.17 0.22 -0.34 0.00 -0.00 0.00 0.00 57.72 57.43 2eh0 n HIS 52 Cb 0.57 -2.72 -0.13 0.00 -0.00 0.00 0.00 29.99 27.71 2eh0 n HIS 52 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2eh0 s ILE 53 N -3.08 3.75 0.22 3.57 -1.09 -1.26 -4.44 121.20 118.86 2eh0 s ILE 53 Ca 0.01 -0.41 0.05 0.00 -2.23 0.00 0.00 60.65 58.07 2eh0 s ILE 53 Cb -0.00 -2.64 -0.03 0.00 -1.58 0.00 0.00 42.46 38.21 2eh0 s ILE 53 CO 0.17 0.49 0.28 -0.54 -1.23 0.00 0.00 174.94 174.11 2eh0 s LYS 54 N 0.44 3.24 0.49 2.79 -0.14 -1.26 -4.91 119.74 120.38 2eh0 s LYS 54 Ca -0.05 -0.82 0.14 0.00 -1.36 0.00 0.00 55.97 53.88 2eh0 s LYS 54 Cb -0.14 -2.79 1.15 0.00 -1.68 0.00 0.00 37.83 34.37 2eh0 s LYS 54 CO 0.03 0.45 2.12 0.93 -0.76 0.00 0.00 175.35 178.11 2eh0 h GLU 55 N 1.59 0.16 -0.03 1.68 3.07 -1.91 -2.56 114.58 116.58 2eh0 h GLU 55 Ca -0.50 -0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 58.29 2eh0 h GLU 55 Cb 1.22 -0.04 -0.11 0.00 -0.84 0.00 0.00 28.75 28.98 2eh0 h GLU 55 CO 0.63 0.11 -0.65 0.39 -1.40 0.00 0.00 179.01 178.09 2eh0 n GLU 56 N -4.52 1.28 -0.48 2.33 1.02 -1.26 -3.12 120.64 115.89 2eh0 n GLU 56 Ca -0.01 -3.03 0.40 0.00 -0.02 0.00 0.00 57.16 54.51 2eh0 n GLU 56 Cb 0.10 -1.26 0.67 0.00 -0.02 0.00 0.00 31.44 30.94 2eh0 n GLU 56 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2eh0 n HIS 57 N -0.72 0.60 -3.93 -0.32 -0.00 -0.97 -4.23 115.22 105.65 2eh0 n HIS 57 Ca 0.17 0.61 -0.02 0.00 0.46 0.00 0.00 57.72 58.94 2eh0 n HIS 57 Cb 0.81 -1.04 0.02 0.00 -0.12 0.00 0.00 29.99 29.65 2eh0 n HIS 57 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2eh0 s ILE 59 N -2.05 0.01 -0.12 0.00 1.01 -0.99 -0.75 121.20 118.32 2eh0 s ILE 59 Ca 0.25 -1.11 -0.04 0.00 0.00 0.00 0.00 60.65 59.76 2eh0 s ILE 59 Cb -0.02 -1.91 0.06 0.00 0.01 0.00 0.00 42.46 40.59 2eh0 s ILE 59 CO 0.04 -0.07 0.16 -0.36 0.00 0.00 0.00 174.94 174.72 2eh0 s PHE 60 N -3.94 -0.15 -0.01 3.97 0.40 0.14 -2.08 117.98 116.31 2eh0 s PHE 60 Ca 0.15 0.41 -0.04 0.00 -0.60 0.00 0.00 56.93 56.86 2eh0 s PHE 60 Cb -0.01 -0.34 -0.04 0.00 0.51 0.00 0.00 43.02 43.13 2eh0 s PHE 60 CO 0.04 -0.37 0.20 0.50 0.70 0.00 0.00 175.22 176.29 2eh0 s ARG 61 N 2.28 3.47 -0.10 0.44 3.52 0.59 0.13 118.95 129.28 2eh0 s ARG 61 Ca 0.04 -0.26 0.00 0.00 -0.13 0.00 0.00 55.73 55.39 2eh0 s ARG 61 Cb -0.13 -3.09 0.02 0.00 -1.56 0.00 0.00 34.95 30.19 2eh0 s ARG 61 CO -0.07 0.67 -0.09 -1.54 -0.81 0.00 0.00 175.30 173.46 2eh0 s SER 62 N -1.87 2.02 -0.24 -2.12 1.04 -1.06 -2.20 113.70 109.27 2eh0 s SER 62 Ca 0.27 -0.29 -0.15 0.00 0.48 0.00 0.00 55.95 56.26 2eh0 s SER 62 Cb -0.13 -0.82 0.07 0.00 0.10 0.00 0.00 66.02 65.25 2eh0 s SER 62 CO 0.18 -0.08 0.59 -0.70 0.98 0.00 0.00 173.24 174.21 2eh0 s GLU 63 N 1.40 0.61 -0.20 4.02 2.12 -0.97 -3.23 118.70 122.45 2eh0 s GLU 63 Ca -0.01 1.04 -0.29 0.00 0.36 0.00 0.00 54.97 56.07 2eh0 s GLU 63 Cb -0.13 0.12 0.00 0.00 0.26 0.00 0.00 34.13 34.38 2eh0 s GLU 63 CO -0.05 -0.14 1.02 0.50 -0.54 0.00 0.00 175.26 176.05 2eh0 s ARG 64 N 1.38 4.29 1.20 4.30 3.52 -1.26 0.21 118.95 132.60 2eh0 s ARG 64 Ca -0.08 1.34 -0.18 0.00 -0.13 0.00 0.00 55.73 56.68 2eh0 s ARG 64 Cb -0.06 -3.62 0.27 0.00 -1.56 0.00 0.00 34.95 29.98 2eh0 s ARG 64 CO -0.15 -0.55 0.59 0.45 -0.81 0.00 0.00 175.30 174.83 2eh0 n SER 65 N 5.98 -3.47 0.13 -2.12 2.88 0.12 -4.79 113.62 112.34 2eh0 n SER 65 Ca 0.11 -0.59 0.12 0.00 -1.33 0.00 0.00 58.87 57.18 2eh0 n SER 65 Cb 0.47 -0.87 0.48 0.00 -0.75 0.00 0.00 64.21 63.54 2eh0 n SER 65 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2eh0 n ASN 66 N -3.21 0.68 0.07 -3.46 3.02 -1.26 -2.73 115.26 108.36 2eh0 n ASN 66 Ca 0.09 0.66 -0.19 0.00 -0.03 0.00 0.00 54.58 55.11 2eh0 n ASN 66 Cb 0.45 -0.81 -0.14 0.00 -0.61 0.00 0.00 39.78 38.67 2eh0 n ASN 66 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2eh0 h SER 67 N 0.00 0.47 0.00 6.41 0.02 -2.03 -3.48 113.55 114.95 2eh0 h SER 67 Ca 0.00 -0.68 0.00 0.00 -0.84 0.00 0.00 61.79 60.27 2eh0 h SER 67 Cb 0.41 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.79 2eh0 h SER 67 CO 0.00 1.57 0.00 0.61 -1.14 0.00 0.00 176.83 177.87 2eh0 n GLY 68 N 1.74 0.92 3.68 -3.77 0.00 -1.11 -5.13 105.19 101.52 2eh0 n GLY 68 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 2eh0 n GLY 68 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2eh0 s GLU 69 N 0.00 3.90 -0.43 1.61 -1.05 -1.26 -4.85 118.70 116.62 2eh0 s GLU 69 Ca 0.00 -0.31 -0.28 0.00 -0.15 0.00 0.00 54.97 54.23 2eh0 s GLU 69 Cb 0.00 -3.22 -0.00 0.00 -0.44 0.00 0.00 34.13 30.47 2eh0 s GLU 69 CO 0.00 0.36 1.60 0.08 0.95 0.00 0.00 175.26 178.25 2eh0 s VAL 70 N 0.15 3.67 0.42 1.83 1.01 -1.26 0.11 120.40 126.33 2eh0 s VAL 70 Ca 0.06 0.64 -0.11 0.00 0.00 0.00 0.00 61.98 62.57 2eh0 s VAL 70 Cb -0.12 -4.01 -0.07 0.00 0.00 0.00 0.00 36.38 32.18 2eh0 s VAL 70 CO 0.00 -0.72 0.80 -0.63 0.00 0.00 0.00 175.10 174.56 2eh0 s ILE 71 N 6.47 4.75 -0.12 2.22 1.09 0.13 -4.84 121.20 130.89 2eh0 s ILE 71 Ca 0.67 0.71 -0.03 0.00 -1.10 0.00 0.00 60.65 60.90 2eh0 s ILE 71 Cb -0.16 -3.73 0.04 0.00 -1.06 0.00 0.00 42.46 37.55 2eh0 s ILE 71 CO 0.30 -0.56 0.05 -0.69 -0.10 0.00 0.00 174.94 173.95 2eh0 s VAL 72 N -2.42 0.12 -0.06 2.92 1.01 -1.26 -2.30 120.40 118.41 2eh0 s VAL 72 Ca 0.52 -0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.54 2eh0 s VAL 72 Cb -0.10 -0.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.73 2eh0 s VAL 72 CO 0.32 -0.03 -0.20 -0.89 0.00 0.00 0.00 175.10 174.30 2eh0 s THR 73 N 2.06 2.53 0.16 3.92 2.01 -0.94 0.24 115.64 125.62 2eh0 s THR 73 Ca 0.03 -0.90 0.02 0.00 0.31 0.00 0.00 61.69 61.14 2eh0 s THR 73 Cb -0.14 -1.96 -0.04 0.00 0.01 0.00 0.00 72.50 70.37 2eh0 s THR 73 CO -0.06 0.57 0.30 -0.22 -0.69 0.00 0.00 174.62 174.52 2eh0 s LEU 74 N -0.38 4.32 -0.41 4.42 2.96 -0.51 -0.30 118.68 128.78 2eh0 s LEU 74 Ca 0.03 0.22 0.04 0.00 -0.22 0.00 0.00 54.13 54.20 2eh0 s LEU 74 Cb -0.12 -2.97 0.17 0.00 0.50 0.00 0.00 46.19 43.77 2eh0 s LEU 74 CO 0.02 0.04 0.35 -1.61 -1.32 0.00 0.00 176.35 173.83 2eh0 s GLU 75 N -3.23 0.86 1.19 1.98 0.41 -0.88 -3.14 118.70 115.89 2eh0 s GLU 75 Ca 0.35 -1.91 -0.19 0.00 -0.41 0.00 0.00 54.97 52.82 2eh0 s GLU 75 Cb -0.11 -1.28 0.28 0.00 -1.78 0.00 0.00 34.13 31.24 2eh0 s GLU 75 CO 0.29 -1.36 1.11 -1.25 -0.49 0.00 0.00 175.26 173.56 2eh0 s PRO 76 N 0.28 -1.14 0.35 0.39 0.04 -1.26 -2.34 135.00 131.31 2eh0 s PRO 76 Ca 0.31 -0.04 0.08 0.00 0.04 0.00 0.00 61.00 61.38 2eh0 s PRO 76 Cb 0.00 -1.60 -0.03 0.00 0.04 0.00 0.00 34.50 32.91 2eh0 s PRO 76 CO -0.16 -3.66 0.30 0.00 0.04 0.00 0.00 177.00 173.52 2eh0 n GLU 78 N -1.39 0.63 -0.82 0.00 0.28 -1.26 -3.88 120.64 114.19 2eh0 n GLU 78 Ca -0.01 -0.37 0.06 0.00 -0.16 0.00 0.00 57.16 56.68 2eh0 n GLU 78 Cb 0.60 -1.49 0.16 0.00 1.43 0.00 0.00 31.44 32.14 2eh0 n GLU 78 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2eh0 n ARG 79 N -0.86 1.18 -3.56 3.44 1.74 -1.26 -5.06 116.66 112.28 2eh0 n ARG 79 Ca 0.11 -2.97 -0.16 0.00 -0.77 0.00 0.00 57.85 54.05 2eh0 n ARG 79 Cb 0.34 -1.21 -0.05 0.00 -1.02 0.00 0.00 32.46 30.53 2eh0 n ARG 79 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2eh0 n SER 80 N -0.71 1.15 -3.75 0.55 7.64 -1.25 -5.01 113.62 112.24 2eh0 n SER 80 Ca 0.16 -2.41 -0.30 0.00 1.01 0.00 0.00 58.87 57.33 2eh0 n SER 80 Cb 0.81 0.66 -0.14 0.00 -1.01 0.00 0.00 64.21 64.53 2eh0 n SER 80 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2eh0 s GLU 81 N -3.01 1.20 -0.14 1.43 8.01 -1.26 -4.93 118.70 120.00 2eh0 s GLU 81 Ca 0.13 -1.81 0.02 0.00 0.01 0.00 0.00 54.97 53.32 2eh0 s GLU 81 Cb 0.01 -2.36 0.01 0.00 -4.31 0.00 0.00 34.13 27.47 2eh0 s GLU 81 CO 0.09 -1.10 -0.20 0.99 0.01 0.00 0.00 175.26 175.05 2eh0 s THR 82 N 0.65 1.95 -0.17 3.63 2.01 -1.26 -2.11 115.64 120.34 2eh0 s THR 82 Ca 0.15 -0.91 0.01 0.00 0.31 0.00 0.00 61.69 61.26 2eh0 s THR 82 Cb -0.23 -1.74 0.01 0.00 0.01 0.00 0.00 72.50 70.55 2eh0 s THR 82 CO -0.06 0.53 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.90 2eh0 s TYR 83 N 0.95 2.76 -0.12 4.92 2.02 -0.33 -0.90 117.35 126.64 2eh0 s TYR 83 Ca -0.04 -1.41 0.01 0.00 -0.37 0.00 0.00 57.07 55.26 2eh0 s TYR 83 Cb -0.15 -1.90 -0.01 0.00 -0.40 0.00 0.00 41.96 39.51 2eh0 s TYR 83 CO -0.04 -0.68 -0.17 0.08 -1.57 0.00 0.00 175.55 173.17 2eh0 s VAL 84 N 1.09 2.66 -1.50 0.71 1.01 0.33 -0.09 120.40 124.60 2eh0 s VAL 84 Ca -0.00 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.18 2eh0 s VAL 84 Cb -0.14 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.15 2eh0 s VAL 84 CO -0.07 0.54 0.00 0.59 0.00 0.00 0.00 175.10 176.16 2eh0 n ASN 85 N 3.60 -5.02 0.00 3.32 3.02 -0.26 -2.18 115.26 117.74 2eh0 n ASN 85 Ca -0.19 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 2eh0 n ASN 85 Cb 0.53 -4.11 0.00 0.00 -0.61 0.00 0.00 39.78 35.59 2eh0 n ASN 85 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2eh0 n GLY 86 N -1.00 2.61 3.96 7.41 0.00 -1.26 -4.96 105.19 111.96 2eh0 n GLY 86 Ca -0.20 -0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.36 2eh0 n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2eh0 s LYS 87 N 0.00 2.49 0.63 1.61 1.02 -0.93 -5.00 119.74 119.57 2eh0 s LYS 87 Ca 0.00 -0.60 -0.11 0.00 0.02 0.00 0.00 55.97 55.29 2eh0 s LYS 87 Cb 0.00 -2.40 -0.02 0.00 -0.52 0.00 0.00 37.83 34.89 2eh0 s LYS 87 CO 0.00 -0.83 1.03 0.50 -0.92 0.00 0.00 175.35 175.12 2eh0 s ARG 88 N -4.89 3.39 -0.21 1.68 3.52 -1.26 0.12 118.95 121.30 2eh0 s ARG 88 Ca 0.57 0.62 -0.04 0.00 -0.13 0.00 0.00 55.73 56.75 2eh0 s ARG 88 Cb -0.10 -2.09 0.07 0.00 -1.56 0.00 0.00 34.95 31.27 2eh0 s ARG 88 CO 0.40 -0.67 0.10 0.54 -0.81 0.00 0.00 175.30 174.86 2eh0 s VAL 89 N -3.19 -0.02 -0.03 7.11 0.11 -0.08 -4.58 120.40 119.73 2eh0 s VAL 89 Ca 0.55 -0.37 0.09 0.00 -2.93 0.00 0.00 61.98 59.33 2eh0 s VAL 89 Cb -0.11 -0.74 -0.14 0.00 -1.53 0.00 0.00 36.38 33.86 2eh0 s VAL 89 CO 0.53 -0.40 0.18 -1.54 -3.33 0.00 0.00 175.10 170.54 2eh0 n SER 90 N 5.24 2.78 -4.69 3.54 3.41 -1.26 -4.62 113.62 118.02 2eh0 n SER 90 Ca -0.07 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.31 2eh0 n SER 90 Cb 0.47 1.33 -0.07 0.00 -0.26 0.00 0.00 64.21 65.68 2eh0 n SER 90 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2eh0 s GLN 91 N -2.60 2.41 -0.18 4.33 -1.52 -1.26 -4.67 119.66 116.16 2eh0 s GLN 91 Ca -0.04 -1.39 -0.29 0.00 -1.95 0.00 0.00 55.36 51.69 2eh0 s GLN 91 Cb 0.06 -2.23 -0.03 0.00 -0.22 0.00 0.00 33.01 30.59 2eh0 s GLN 91 CO 0.40 0.32 1.58 -1.25 -0.25 0.00 0.00 175.29 176.09 2eh0 s PRO 92 N -3.74 3.92 0.05 2.91 0.04 -1.26 -4.70 135.00 132.22 2eh0 s PRO 92 Ca 0.33 1.77 0.01 0.00 0.04 0.00 0.00 61.00 63.16 2eh0 s PRO 92 Cb -0.06 -4.00 -0.03 0.00 0.04 0.00 0.00 34.50 30.46 2eh0 s PRO 92 CO 0.21 -1.14 -0.06 0.14 0.04 0.00 0.00 177.00 176.19 2eh0 s VAL 93 N 4.77 0.47 -0.07 -0.36 -7.23 -1.19 -4.95 120.40 111.85 2eh0 s VAL 93 Ca 0.70 -1.28 -0.30 0.00 -1.81 0.00 0.00 61.98 59.29 2eh0 s VAL 93 Cb -0.26 -0.84 -0.03 0.00 0.56 0.00 0.00 36.38 35.81 2eh0 s VAL 93 CO 0.28 -0.55 1.21 -1.10 -0.31 0.00 0.00 175.10 174.62 2eh0 s GLN 94 N -2.20 4.34 0.68 4.82 -0.21 -1.26 -1.43 119.66 124.40 2eh0 s GLN 94 Ca -0.05 1.67 -0.14 0.00 0.02 0.00 0.00 55.36 56.86 2eh0 s GLN 94 Cb -0.06 -3.58 0.01 0.00 1.00 0.00 0.00 33.01 30.39 2eh0 s GLN 94 CO -0.02 -0.47 1.10 -0.51 -2.12 0.00 0.00 175.29 173.27 2eh0 s LEU 95 N 2.34 3.32 0.01 2.90 2.01 0.14 -4.95 118.68 124.44 2eh0 s LEU 95 Ca 0.56 1.93 0.03 0.00 0.01 0.00 0.00 54.13 56.66 2eh0 s LEU 95 Cb -0.24 -4.54 -0.03 0.00 0.01 0.00 0.00 46.19 41.38 2eh0 s LEU 95 CO 0.21 -1.66 -0.07 -0.60 1.01 0.00 0.00 176.35 175.25 2eh0 s ARG 96 N -4.29 2.55 -0.44 1.70 6.06 -1.26 -4.76 118.95 118.51 2eh0 s ARG 96 Ca 0.65 -0.73 -0.31 0.00 -2.50 0.00 0.00 55.73 52.85 2eh0 s ARG 96 Cb -0.19 -2.50 -0.10 0.00 0.06 0.00 0.00 34.95 32.22 2eh0 s ARG 96 CO 0.44 0.60 2.33 0.45 -2.50 0.00 0.00 175.30 176.62 2eh0 n SER 97 N 1.52 2.21 -0.19 -2.12 2.88 -1.26 -1.48 113.62 115.18 2eh0 n SER 97 Ca -0.15 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 2eh0 n SER 97 Cb 0.52 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.60 2eh0 n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eh0 n GLY 98 N 6.23 0.92 3.88 0.46 0.00 0.14 -4.89 105.19 111.92 2eh0 n GLY 98 Ca 0.41 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 2eh0 n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2eh0 s ASN 99 N -2.24 6.59 -0.48 1.61 4.22 -0.55 -4.86 114.94 119.22 2eh0 s ASN 99 Ca 0.00 0.75 -0.19 0.00 -2.14 0.00 0.00 52.86 51.28 2eh0 s ASN 99 Cb 0.00 -2.16 0.05 0.00 1.28 0.00 0.00 41.25 40.42 2eh0 s ASN 99 CO 0.00 0.09 0.57 -0.60 -2.04 0.00 0.00 177.10 175.12 2eh0 s ARG 100 N -2.31 3.12 -0.43 3.55 3.52 -1.26 -2.88 118.95 122.25 2eh0 s ARG 100 Ca 0.38 -0.87 -0.10 0.00 -0.13 0.00 0.00 55.73 55.01 2eh0 s ARG 100 Cb -0.13 -4.07 0.08 0.00 -1.56 0.00 0.00 34.95 29.28 2eh0 s ARG 100 CO 0.21 -1.11 0.29 0.42 -0.81 0.00 0.00 175.30 174.29 2eh0 s ILE 101 N 2.45 4.36 -0.27 4.11 1.01 -0.79 -1.10 121.20 130.97 2eh0 s ILE 101 Ca 0.14 -1.40 -0.13 0.00 0.00 0.00 0.00 60.65 59.26 2eh0 s ILE 101 Cb -0.19 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 2eh0 s ILE 101 CO 0.12 -0.55 0.30 -0.63 0.00 0.00 0.00 174.94 174.19 2eh0 s ILE 102 N 1.45 5.23 0.02 2.92 1.01 0.87 -0.77 121.20 131.93 2eh0 s ILE 102 Ca 0.03 0.41 0.03 0.00 0.00 0.00 0.00 60.65 61.13 2eh0 s ILE 102 Cb -0.24 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 2eh0 s ILE 102 CO 0.02 0.20 -0.04 -0.04 0.00 0.00 0.00 174.94 175.08 2eh0 s MET 103 N 1.91 2.58 2.64 2.79 -1.94 0.16 -1.19 119.30 126.25 2eh0 s MET 103 Ca 0.12 -0.73 0.00 0.00 -1.71 0.00 0.00 55.69 53.37 2eh0 s MET 103 Cb -0.16 -2.54 0.00 0.00 2.01 0.00 0.00 34.83 34.15 2eh0 s MET 103 CO 0.10 0.59 0.00 0.41 -0.01 0.00 0.00 175.02 176.11 2eh0 n GLY 104 N 1.32 0.37 1.12 -0.03 0.00 -0.90 -2.65 105.19 104.42 2eh0 n GLY 104 Ca -0.14 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.55 2eh0 n GLY 104 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2eh0 n LYS 105 N 0.00 0.00 -2.15 1.61 3.00 -1.25 -4.90 118.16 114.47 2eh0 n LYS 105 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.96 2eh0 n LYS 105 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.05 2eh0 n LYS 105 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2eh0 n ASN 106 N -2.04 6.53 -3.23 3.14 5.03 -1.26 -4.77 115.26 118.68 2eh0 n ASN 106 Ca 0.00 -3.79 -0.25 0.00 0.87 0.00 0.00 54.58 51.41 2eh0 n ASN 106 Cb 0.00 -0.86 -0.06 0.00 -1.02 0.00 0.00 39.78 37.84 2eh0 n ASN 106 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 2eh0 n HIS 107 N -0.50 1.80 -3.09 3.10 8.25 -1.09 -4.72 115.22 118.98 2eh0 n HIS 107 Ca 0.48 -3.88 -0.27 0.00 -0.26 0.00 0.00 57.72 53.80 2eh0 n HIS 107 Cb 0.38 -0.45 -0.02 0.00 1.12 0.00 0.00 29.99 31.02 2eh0 n HIS 107 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2eh0 s VAL 108 N -2.36 4.99 -0.18 1.59 1.01 -1.26 -0.67 120.40 123.52 2eh0 s VAL 108 Ca 0.40 0.02 -0.13 0.00 0.00 0.00 0.00 61.98 62.26 2eh0 s VAL 108 Cb 0.21 -3.81 0.05 0.00 0.00 0.00 0.00 36.38 32.83 2eh0 s VAL 108 CO -0.08 -0.57 0.45 -0.36 0.00 0.00 0.00 175.10 174.54 2eh0 s PHE 109 N -2.38 -0.56 -0.26 5.22 0.08 0.05 -4.09 117.98 116.04 2eh0 s PHE 109 Ca 0.45 1.29 -0.11 0.00 0.12 0.00 0.00 56.93 58.67 2eh0 s PHE 109 Cb -0.10 0.23 -0.05 0.00 -0.57 0.00 0.00 43.02 42.53 2eh0 s PHE 109 CO 0.36 -0.29 0.18 0.50 -0.10 0.00 0.00 175.22 175.87 2eh0 s ARG 110 N 0.72 3.98 -0.57 0.44 3.52 -0.55 -1.88 118.95 124.61 2eh0 s ARG 110 Ca -0.04 -0.31 -0.28 0.00 -0.13 0.00 0.00 55.73 54.97 2eh0 s ARG 110 Cb -0.05 -3.61 0.03 0.00 -1.56 0.00 0.00 34.95 29.76 2eh0 s ARG 110 CO -0.05 -0.10 1.24 0.12 -0.81 0.00 0.00 175.30 175.70 2eh0 s PHE 111 N 1.51 2.54 -0.39 5.12 5.36 -1.14 -1.54 117.98 129.44 2eh0 s PHE 111 Ca 0.07 0.43 -0.23 0.00 -0.96 0.00 0.00 56.93 56.24 2eh0 s PHE 111 Cb -0.15 -4.49 0.01 0.00 -0.34 0.00 0.00 43.02 38.05 2eh0 s PHE 111 CO 0.09 -1.67 0.77 -0.80 -1.46 0.00 0.00 175.22 172.15 2eh0 s ASN 112 N 3.24 6.49 -0.72 6.13 -0.87 -0.09 0.25 114.94 129.37 2eh0 s ASN 112 Ca 0.45 0.18 0.04 0.00 -1.57 0.00 0.00 52.86 51.96 2eh0 s ASN 112 Cb -0.08 -2.39 0.24 0.00 -0.02 0.00 0.00 41.25 39.01 2eh0 s ASN 112 CO 0.25 -0.78 0.80 1.57 -2.57 0.00 0.00 177.10 176.38 2eh0 n HIS 113 N 6.48 3.48 0.73 2.20 -0.00 -1.26 -2.79 115.22 124.05 2eh0 n HIS 113 Ca 0.02 -4.00 0.07 0.00 0.46 0.00 0.00 57.72 54.28 2eh0 n HIS 113 Cb 0.48 -0.69 0.38 0.00 -0.12 0.00 0.00 29.99 30.04 2eh0 n HIS 113 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2eh0 n PRO 114 N 1.17 0.24 -0.07 1.57 -0.04 -1.26 -2.42 135.00 134.18 2eh0 n PRO 114 Ca 0.27 0.13 -0.04 0.00 -0.04 0.00 0.00 63.50 63.82 2eh0 n PRO 114 Cb 0.39 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.33 2eh0 n PRO 114 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2eh0 h GLU 115 N 0.00 0.00 -0.71 0.54 5.08 -1.84 -3.37 114.58 114.27 2eh0 h GLU 115 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2eh0 h GLU 115 Cb 0.12 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 2eh0 h GLU 115 CO 0.00 0.06 0.33 0.37 -1.00 0.00 0.00 179.01 178.78 2eh0 h GLN 116 N -1.00 1.02 0.00 2.33 5.75 -1.88 -1.75 115.11 119.58 2eh0 h GLN 116 Ca -0.02 -0.14 0.00 0.00 -0.15 0.00 0.00 58.65 58.34 2eh0 h GLN 116 Cb 0.42 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.79 2eh0 h GLN 116 CO -0.01 0.79 0.33 0.00 -2.65 0.00 0.00 178.83 177.30 2eh0 h ALA 117 N 1.35 1.30 -0.10 3.38 0.00 -1.67 0.98 119.26 124.50 2eh0 h ALA 117 Ca 0.25 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 2eh0 h ALA 117 Cb 0.12 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.91 2eh0 h ALA 117 CO -0.03 -0.30 -0.57 0.07 0.00 0.00 0.00 179.25 178.42 2eh0 h ARG 118 N 0.00 0.57 -0.62 0.00 0.11 -1.48 -3.12 114.38 109.84 2eh0 h ARG 118 Ca 0.00 -0.47 0.18 0.00 0.10 0.00 0.00 59.98 59.79 2eh0 h ARG 118 Cb 0.67 0.10 -0.02 0.00 1.11 0.00 0.00 29.97 31.83 2eh0 h ARG 118 CO 0.00 1.10 0.59 0.00 0.10 0.00 0.00 179.97 181.76 2eh0 h ALA 119 N 0.48 2.41 -0.90 0.08 0.00 -0.93 -2.02 119.26 118.38 2eh0 h ALA 119 Ca -0.04 -0.02 0.37 0.00 0.00 0.00 0.00 54.91 55.22 2eh0 h ALA 119 Cb 1.21 0.05 -0.16 0.00 0.00 0.00 0.00 17.79 18.89 2eh0 h ALA 119 CO 0.12 -0.91 0.49 -0.85 0.00 0.00 0.00 179.25 178.10 2eh0 n GLU 120 N -3.79 -0.05 -0.09 0.00 0.28 -1.18 0.17 120.64 115.98 2eh0 n GLU 120 Ca 0.12 1.21 -0.10 0.00 -0.16 0.00 0.00 57.16 58.24 2eh0 n GLU 120 Cb 0.82 -2.19 -0.03 0.00 1.43 0.00 0.00 31.44 31.47 2eh0 n GLU 120 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 177.13 177.04 2eh0 h ARG 121 N 0.00 0.44 -0.84 3.44 0.11 -1.62 -2.86 114.38 113.05 2eh0 h ARG 121 Ca 0.75 -0.08 -0.00 0.00 0.10 0.00 0.00 59.98 60.75 2eh0 h ARG 121 Cb 2.01 -0.07 -0.04 0.00 1.11 0.00 0.00 29.97 32.98 2eh0 h ARG 121 CO -0.67 0.47 0.51 0.93 0.10 0.00 0.00 179.97 181.31 2eh0 h GLU 122 N 0.31 1.14 -6.59 0.08 4.39 0.16 -3.42 114.58 110.64 2eh0 h GLU 122 Ca 0.10 -0.10 -0.51 0.00 0.34 0.00 0.00 59.36 59.18 2eh0 h GLU 122 Cb 0.20 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 2eh0 h GLU 122 CO -0.01 0.79 0.11 0.21 -1.16 0.00 0.00 179.01 178.95 2eh0 s LYS 123 N -5.87 4.22 0.31 2.33 2.20 -0.62 -5.02 119.74 117.30 2eh0 s LYS 123 Ca -0.12 0.84 -0.30 0.00 -0.36 0.00 0.00 55.97 56.04 2eh0 s LYS 123 Cb 0.17 -2.81 -0.12 0.00 -1.51 0.00 0.00 37.83 33.57 2eh0 s LYS 123 CO 0.81 0.36 1.56 -2.37 -0.36 0.00 0.00 175.35 175.34 2eh0 n THR 124 N 0.56 1.26 1.60 3.43 5.66 -1.26 -4.84 114.28 120.68 2eh0 n THR 124 Ca -0.01 -0.31 0.15 0.00 -3.05 0.00 0.00 64.05 60.82 2eh0 n THR 124 Cb 0.51 -1.94 0.81 0.00 -1.55 0.00 0.00 70.33 68.16 2eh0 n THR 124 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2eh0 n SER 125 N 1.75 0.00 0.00 1.09 2.88 -1.26 -5.00 113.62 113.08 2eh0 n SER 125 Ca 0.07 -0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.19 2eh0 n SER 125 Cb 0.37 -0.19 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 2eh0 n SER 125 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eh0 n GLY 126 N 1.16 2.44 3.60 0.46 0.00 -1.26 -4.99 105.19 106.60 2eh0 n GLY 126 Ca 0.17 -2.08 -0.43 0.00 0.00 0.00 0.00 46.02 43.68 2eh0 n GLY 126 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eh0 s PRO 127 N -2.21 3.46 1.33 1.61 0.04 -1.26 -4.99 135.00 132.97 2eh0 s PRO 127 Ca 0.00 1.36 -0.20 0.00 0.04 0.00 0.00 61.00 62.20 2eh0 s PRO 127 Cb 0.00 -4.13 0.32 0.00 0.04 0.00 0.00 34.50 30.72 2eh0 s PRO 127 CO 0.00 -1.70 0.73 0.45 0.04 0.00 0.00 177.00 176.52 2eh0 n SER 128 N 9.67 -3.68 -3.73 6.66 2.88 -1.26 -5.06 113.62 119.10 2eh0 n SER 128 Ca 0.21 -0.68 -0.13 0.00 -1.33 0.00 0.00 58.87 56.94 2eh0 n SER 128 Cb 0.47 -0.96 -0.10 0.00 -0.75 0.00 0.00 64.21 62.87 2eh0 n SER 128 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2eh0 s SER 129 N -2.71 -0.43 0.00 -3.46 1.04 -1.26 -5.28 113.70 101.60 2eh0 s SER 129 Ca 0.58 0.82 0.00 0.00 0.48 0.00 0.00 55.95 57.84 2eh0 s SER 129 Cb -0.11 0.82 0.00 0.00 0.10 0.00 0.00 66.02 66.83 2eh0 s SER 129 CO 0.51 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.19