#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eh0 s SER 2 N 0.00 0.91 -0.94 1.61 0.01 -1.26 -5.09 113.70 108.94 2eh0 s SER 2 Ca 0.00 0.03 -0.14 0.00 1.31 0.00 0.00 55.95 57.15 2eh0 s SER 2 Cb 0.00 0.63 0.21 0.00 0.21 0.00 0.00 66.02 67.07 2eh0 s SER 2 CO 0.00 -0.31 0.97 -0.94 0.41 0.00 0.00 173.24 173.38 2eh0 s SER 3 N 2.40 6.87 -1.08 2.44 1.04 -1.26 -4.92 113.70 119.19 2eh0 s SER 3 Ca 0.08 -2.75 -0.02 0.00 0.48 0.00 0.00 55.95 53.73 2eh0 s SER 3 Cb -0.15 -2.27 0.29 0.00 0.10 0.00 0.00 66.02 63.99 2eh0 s SER 3 CO -0.13 -0.64 1.90 0.61 0.98 0.00 0.00 173.24 175.97 2eh0 n GLY 4 N 4.07 5.95 3.58 7.32 0.00 -1.26 -4.92 105.19 119.92 2eh0 n GLY 4 Ca 0.20 -2.50 -0.39 0.00 0.00 0.00 0.00 46.02 43.33 2eh0 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eh0 s SER 5 N -1.08 6.35 -1.22 1.61 0.01 -1.26 -4.88 113.70 113.23 2eh0 s SER 5 Ca 0.41 -2.24 -0.19 0.00 1.31 0.00 0.00 55.95 55.23 2eh0 s SER 5 Cb 0.18 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.82 2eh0 s SER 5 CO -0.11 -1.69 1.90 -1.20 0.41 0.00 0.00 173.24 172.55 2eh0 n SER 6 N 10.01 3.88 -3.91 2.44 7.64 -1.26 -4.44 113.62 127.98 2eh0 n SER 6 Ca 0.48 -2.81 -0.28 0.00 1.01 0.00 0.00 58.87 57.27 2eh0 n SER 6 Cb 0.46 -1.65 -0.07 0.00 -1.01 0.00 0.00 64.21 61.94 2eh0 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2eh0 n GLY 7 N 5.20 -0.18 3.77 0.23 0.00 -1.26 -4.80 105.19 108.16 2eh0 n GLY 7 Ca 0.48 0.11 -0.41 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.58 2.14 0.60 2.61 2.01 -1.26 -4.05 115.64 114.10 2eh0 s THR 8 Ca 0.25 0.13 -0.17 0.00 0.31 0.00 0.00 61.69 62.21 2eh0 s THR 8 Cb -0.15 -3.09 -0.03 0.00 0.01 0.00 0.00 72.50 69.25 2eh0 s THR 8 CO 0.79 0.03 1.12 -2.16 -0.69 0.00 0.00 174.62 173.71 2eh0 s PRO 9 N -1.82 3.08 0.04 4.92 0.04 -1.26 -4.83 135.00 135.17 2eh0 s PRO 9 Ca 0.54 1.50 -0.27 0.00 0.04 0.00 0.00 61.00 62.80 2eh0 s PRO 9 Cb -0.46 -1.98 0.07 0.00 0.04 0.00 0.00 34.50 32.17 2eh0 s PRO 9 CO 0.60 -1.04 0.65 -3.38 0.04 0.00 0.00 177.00 173.87 2eh0 s HIS 10 N -2.05 -0.60 -0.22 0.56 -3.43 -1.20 -2.24 115.29 106.11 2eh0 s HIS 10 Ca 0.70 0.76 -0.09 0.00 -0.80 0.00 0.00 55.06 55.62 2eh0 s HIS 10 Cb -0.22 0.48 -0.04 0.00 -1.43 0.00 0.00 32.58 31.36 2eh0 s HIS 10 CO 0.34 -0.71 0.11 -0.51 -2.00 0.00 0.00 174.74 171.98 2eh0 s LEU 11 N -1.89 3.92 -0.17 5.38 1.43 0.10 -2.35 118.68 125.10 2eh0 s LEU 11 Ca -0.05 0.06 -0.08 0.00 -1.03 0.00 0.00 54.13 53.02 2eh0 s LEU 11 Cb -0.00 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 2eh0 s LEU 11 CO -0.01 0.09 0.10 -0.69 0.23 0.00 0.00 176.35 176.07 2eh0 s VAL 12 N 0.89 5.11 -0.60 -1.59 1.01 -0.34 -0.62 120.40 124.26 2eh0 s VAL 12 Ca 0.06 0.08 -0.28 0.00 0.00 0.00 0.00 61.98 61.84 2eh0 s VAL 12 Cb -0.13 -3.29 0.02 0.00 0.00 0.00 0.00 36.38 32.97 2eh0 s VAL 12 CO 0.03 0.48 1.38 0.21 0.00 0.00 0.00 175.10 177.21 2eh0 s ASN 13 N 0.09 6.13 0.00 3.32 3.84 0.30 -0.10 114.94 128.52 2eh0 s ASN 13 Ca 0.07 0.14 0.12 0.00 0.21 0.00 0.00 52.86 53.41 2eh0 s ASN 13 Cb -0.12 -2.55 0.14 0.00 -0.55 0.00 0.00 41.25 38.18 2eh0 s ASN 13 CO -0.00 -1.73 0.97 0.00 -2.79 0.00 0.00 177.10 173.54 2eh0 n LEU 14 N 9.55 2.22 -4.17 3.21 -0.00 -1.25 -4.99 117.00 121.57 2eh0 n LEU 14 Ca 0.11 -1.19 -0.35 0.00 -0.00 0.00 0.00 56.01 54.58 2eh0 n LEU 14 Cb 0.49 -0.05 0.09 0.00 -0.00 0.00 0.00 43.42 43.96 2eh0 n LEU 14 CO 0.71 0.45 -1.09 -0.46 -0.00 0.00 0.00 177.39 177.01 2eh0 n ASN 15 N 0.69 -3.28 0.00 1.45 0.23 -1.26 -4.79 115.26 108.30 2eh0 n ASN 15 Ca 0.08 0.07 0.05 0.00 -0.53 0.00 0.00 54.58 54.24 2eh0 n ASN 15 Cb 0.34 -0.83 0.27 0.00 -2.08 0.00 0.00 39.78 37.47 2eh0 n ASN 15 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 2eh0 n GLU 16 N 0.28 0.91 -3.55 -3.83 0.28 -1.26 -4.36 120.64 109.12 2eh0 n GLU 16 Ca 0.01 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.62 2eh0 n GLU 16 Cb 0.63 -1.16 -0.05 0.00 1.43 0.00 0.00 31.44 32.30 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 -1.37 6.39 0.00 -1.84 1.11 -1.26 -4.87 116.67 114.82 2eh0 s ASP 17 Ca 0.14 -3.68 0.12 0.00 0.18 0.00 0.00 52.55 49.31 2eh0 s ASP 17 Cb 0.06 -2.00 0.73 0.00 1.07 0.00 0.00 42.92 42.79 2eh0 s ASP 17 CO 0.11 -0.22 1.16 -0.81 1.18 0.00 0.00 175.17 176.59 2eh0 n PRO 18 N 2.45 0.49 -0.00 8.23 -0.04 -1.26 -1.83 135.00 143.03 2eh0 n PRO 18 Ca 0.22 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.74 2eh0 n PRO 18 Cb 0.38 -1.39 -0.08 0.00 -0.04 0.00 0.00 33.50 32.37 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 0.38 -3.64 1.53 4.77 -1.26 -5.02 117.00 112.87 2eh0 n LEU 19 Ca 0.09 -0.34 -0.51 0.00 -0.03 0.00 0.00 56.01 55.22 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 0.09 0.76 1.15 -1.33 0.00 0.00 177.39 178.13 2eh0 n MET 20 N -1.48 0.00 0.00 3.23 0.00 -0.76 -4.73 117.12 113.38 2eh0 n MET 20 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 57.70 57.78 2eh0 n MET 20 Cb 0.22 -1.17 0.42 0.00 0.00 0.00 0.00 33.22 32.70 2eh0 n MET 20 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2eh0 n SER 21 N 2.52 0.00 -4.76 3.17 2.88 -1.26 -4.77 113.62 111.40 2eh0 n SER 21 Ca 0.22 -0.22 -0.29 0.00 -1.33 0.00 0.00 58.87 57.24 2eh0 n SER 21 Cb -0.01 -0.13 0.13 0.00 -0.75 0.00 0.00 64.21 63.44 2eh0 n SER 21 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2eh0 s GLU 22 N -2.27 1.30 0.09 -1.46 0.41 -1.26 -4.97 118.70 110.54 2eh0 s GLU 22 Ca 0.19 0.52 -0.31 0.00 -0.41 0.00 0.00 54.97 54.96 2eh0 s GLU 22 Cb 0.10 -1.84 -0.08 0.00 -1.78 0.00 0.00 34.13 30.54 2eh0 s GLU 22 CO 0.20 -2.14 1.46 0.00 -0.49 0.00 0.00 175.26 174.29 2eh0 n LEU 24 N 4.53 -0.56 -4.11 0.00 4.77 -1.26 -4.67 117.00 115.70 2eh0 n LEU 24 Ca 0.13 1.70 -0.10 0.00 -0.03 0.00 0.00 56.01 57.71 2eh0 n LEU 24 Cb 0.42 -0.42 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 2eh0 n LEU 24 CO 0.60 -1.56 -0.17 -1.48 -1.33 0.00 0.00 177.39 173.45 2eh0 s LEU 25 N -10.97 1.23 0.01 2.23 0.05 -1.26 -0.54 118.68 109.43 2eh0 s LEU 25 Ca -0.14 -1.17 0.03 0.00 0.05 0.00 0.00 54.13 52.91 2eh0 s LEU 25 Cb 0.22 0.68 -0.01 0.00 -2.05 0.00 0.00 46.19 45.02 2eh0 s LEU 25 CO 0.72 -0.85 -0.10 -0.31 -0.55 0.00 0.00 176.35 175.26 2eh0 s TYR 26 N -4.07 0.90 -0.45 3.48 1.51 0.20 -4.95 117.35 113.98 2eh0 s TYR 26 Ca 0.28 -0.24 -0.16 0.00 -1.01 0.00 0.00 57.07 55.94 2eh0 s TYR 26 Cb 0.06 -0.56 0.05 0.00 -0.11 0.00 0.00 41.96 41.39 2eh0 s TYR 26 CO 0.06 -0.01 0.39 0.71 -1.11 0.00 0.00 175.55 175.59 2eh0 s TYR 27 N -0.49 3.22 0.06 2.71 1.51 -1.26 0.03 117.35 123.13 2eh0 s TYR 27 Ca 0.02 -0.76 -0.31 0.00 -1.01 0.00 0.00 57.07 55.01 2eh0 s TYR 27 Cb -0.05 -3.01 -0.07 0.00 -0.11 0.00 0.00 41.96 38.72 2eh0 s TYR 27 CO 0.00 -0.75 1.43 0.42 -1.11 0.00 0.00 175.55 175.55 2eh0 s ILE 28 N 1.77 3.41 0.84 2.71 1.01 -0.95 -4.99 121.20 125.00 2eh0 s ILE 28 Ca 0.06 0.92 -0.10 0.00 0.00 0.00 0.00 60.65 61.54 2eh0 s ILE 28 Cb -0.22 -3.59 0.15 0.00 0.01 0.00 0.00 42.46 38.81 2eh0 s ILE 28 CO 0.09 0.03 1.17 -1.59 0.00 0.00 0.00 174.94 174.64 2eh0 s LYS 29 N 1.83 1.26 -0.07 2.79 0.00 -1.26 -4.57 119.74 119.72 2eh0 s LYS 29 Ca 0.66 -0.58 -0.27 0.00 0.00 0.00 0.00 55.97 55.79 2eh0 s LYS 29 Cb -0.35 -2.05 -0.03 0.00 0.00 0.00 0.00 37.83 35.40 2eh0 s LYS 29 CO 0.29 -1.90 0.85 -0.51 0.00 0.00 0.00 175.35 174.08 2eh0 s ASP 30 N -4.77 7.13 0.00 0.03 1.11 -1.26 -4.75 116.67 114.16 2eh0 s ASP 30 Ca 0.69 1.37 0.00 0.00 0.18 0.00 0.00 52.55 54.79 2eh0 s ASP 30 Cb -0.06 -2.49 0.00 0.00 1.07 0.00 0.00 42.92 41.45 2eh0 s ASP 30 CO 0.49 -0.25 0.00 0.61 1.18 0.00 0.00 175.17 177.20 2eh0 n GLY 31 N 3.10 0.49 2.97 0.21 0.00 -1.20 -5.01 105.19 105.75 2eh0 n GLY 31 Ca 0.03 -0.90 -0.27 0.00 0.00 0.00 0.00 46.02 44.88 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 1.22 -0.45 -0.61 -1.09 -1.26 -2.00 121.20 117.01 2eh0 s ILE 32 Ca 0.00 -0.44 0.03 0.00 -2.23 0.00 0.00 60.65 58.01 2eh0 s ILE 32 Cb 0.00 -1.18 0.12 0.00 -1.58 0.00 0.00 42.46 39.82 2eh0 s ILE 32 CO 0.00 0.39 0.19 -0.89 -1.23 0.00 0.00 174.94 173.40 2eh0 s THR 33 N 1.37 2.56 -0.03 2.92 2.01 0.53 -4.84 115.64 120.16 2eh0 s THR 33 Ca -0.00 -2.87 -0.30 0.00 0.31 0.00 0.00 61.69 58.82 2eh0 s THR 33 Cb -0.14 -2.81 -0.03 0.00 0.01 0.00 0.00 72.50 69.53 2eh0 s THR 33 CO -0.06 -0.72 1.06 -0.13 -0.69 0.00 0.00 174.62 174.08 2eh0 s ARG 34 N 0.24 4.47 -0.54 4.92 0.52 -1.26 0.62 118.95 127.92 2eh0 s ARG 34 Ca 0.14 1.50 -0.16 0.00 -0.52 0.00 0.00 55.73 56.69 2eh0 s ARG 34 Cb -0.23 -3.48 0.12 0.00 0.52 0.00 0.00 34.95 31.88 2eh0 s ARG 34 CO -0.03 -0.22 0.51 0.08 0.02 0.00 0.00 175.30 175.65 2eh0 s VAL 35 N 1.51 5.17 0.00 3.52 1.01 0.12 -2.38 120.40 129.35 2eh0 s VAL 35 Ca 0.53 -1.38 0.00 0.00 0.00 0.00 0.00 61.98 61.12 2eh0 s VAL 35 Cb -0.22 -4.33 0.00 0.00 0.00 0.00 0.00 36.38 31.83 2eh0 s VAL 35 CO 0.24 -0.87 0.00 0.61 0.00 0.00 0.00 175.10 175.09 2eh0 n GLY 36 N 5.25 4.30 4.00 4.51 0.00 -1.07 -2.41 105.19 119.77 2eh0 n GLY 36 Ca -0.13 -0.38 -0.17 0.00 0.00 0.00 0.00 46.02 45.33 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 4.84 2.79 0.05 1.61 -1.52 -1.23 -2.37 119.66 123.83 2eh0 s GLN 37 Ca 0.00 -1.28 0.26 0.00 -1.95 0.00 0.00 55.36 52.39 2eh0 s GLN 37 Cb 0.00 -2.72 0.74 0.00 -0.22 0.00 0.00 33.01 30.81 2eh0 s GLN 37 CO 0.00 -0.28 1.60 0.00 -0.25 0.00 0.00 175.29 176.36 2eh0 n ALA 38 N -1.84 2.88 0.02 6.09 0.00 -1.26 -3.60 120.51 122.80 2eh0 n ALA 38 Ca 0.08 -0.21 0.01 0.00 0.00 0.00 0.00 53.44 53.32 2eh0 n ALA 38 Cb 0.59 -1.28 -0.09 0.00 0.00 0.00 0.00 19.45 18.67 2eh0 n ALA 38 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2eh0 n ASP 39 N -1.72 0.70 -3.62 0.00 2.03 -1.26 -4.84 116.55 107.83 2eh0 n ASP 39 Ca 0.06 0.30 -0.37 0.00 0.52 0.00 0.00 54.79 55.30 2eh0 n ASP 39 Cb 0.37 0.42 -0.01 0.00 -0.72 0.00 0.00 41.12 41.18 2eh0 n ASP 39 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2eh0 n ALA 40 N -2.41 -2.66 -0.35 -1.67 0.00 -1.24 -4.76 120.51 107.43 2eh0 n ALA 40 Ca -0.11 0.21 -0.06 0.00 0.00 0.00 0.00 53.44 53.48 2eh0 n ALA 40 Cb 0.83 -1.28 -0.04 0.00 0.00 0.00 0.00 19.45 18.96 2eh0 n ALA 40 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2eh0 n GLU 41 N 1.00 -0.31 -3.49 0.00 1.02 -1.26 -4.28 120.64 113.30 2eh0 n GLU 41 Ca 0.12 1.30 -0.35 0.00 -0.02 0.00 0.00 57.16 58.21 2eh0 n GLU 41 Cb 0.28 -1.92 -0.06 0.00 -0.02 0.00 0.00 31.44 29.72 2eh0 n GLU 41 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2eh0 s ARG 42 N -5.56 3.85 -0.61 3.49 1.81 -1.26 -4.99 118.95 115.68 2eh0 s ARG 42 Ca -0.11 0.31 -0.26 0.00 -1.72 0.00 0.00 55.73 53.95 2eh0 s ARG 42 Cb 0.12 -2.99 -0.08 0.00 -0.45 0.00 0.00 34.95 31.55 2eh0 s ARG 42 CO 0.56 0.54 2.31 0.50 -0.68 0.00 0.00 175.30 178.54 2eh0 s ARG 43 N -1.85 2.05 0.13 3.54 3.52 -1.26 -4.90 118.95 120.19 2eh0 s ARG 43 Ca 0.34 0.96 -0.31 0.00 -0.13 0.00 0.00 55.73 56.58 2eh0 s ARG 43 Cb -0.15 -4.64 -0.10 0.00 -1.56 0.00 0.00 34.95 28.50 2eh0 s ARG 43 CO 0.18 -3.54 1.78 -0.65 -0.81 0.00 0.00 175.30 172.27 2eh0 s GLN 44 N 8.21 4.15 0.17 5.12 -1.52 -1.26 -4.89 119.66 129.63 2eh0 s GLN 44 Ca 0.91 2.55 -0.23 0.00 -1.95 0.00 0.00 55.36 56.64 2eh0 s GLN 44 Cb -0.15 -3.50 0.06 0.00 -0.22 0.00 0.00 33.01 29.21 2eh0 s GLN 44 CO 0.19 -0.81 1.59 -0.44 -0.25 0.00 0.00 175.29 175.57 2eh0 h ASP 45 N 8.22 -1.17 -3.34 5.90 5.19 -1.80 -3.37 116.42 126.04 2eh0 h ASP 45 Ca -0.45 0.21 -0.66 0.00 -0.62 0.00 0.00 57.03 55.51 2eh0 h ASP 45 Cb 1.21 0.55 -0.29 0.00 0.18 0.00 0.00 39.33 40.98 2eh0 h ASP 45 CO 0.95 -0.32 -0.75 -0.63 -3.12 0.00 0.00 179.24 175.37 2eh0 s ILE 46 N -5.97 3.16 -0.38 0.35 1.01 -1.06 -4.99 121.20 113.32 2eh0 s ILE 46 Ca -0.15 -0.57 -0.13 0.00 0.00 0.00 0.00 60.65 59.81 2eh0 s ILE 46 Cb 0.14 -2.42 0.01 0.00 0.01 0.00 0.00 42.46 40.20 2eh0 s ILE 46 CO 0.68 0.45 0.25 -0.69 0.00 0.00 0.00 174.94 175.63 2eh0 s VAL 47 N 1.39 5.03 0.85 2.92 1.01 -1.26 -2.59 120.40 127.75 2eh0 s VAL 47 Ca 0.05 -0.62 -0.12 0.00 0.00 0.00 0.00 61.98 61.29 2eh0 s VAL 47 Cb -0.14 -3.75 0.10 0.00 0.00 0.00 0.00 36.38 32.60 2eh0 s VAL 47 CO -0.04 -0.21 1.15 -0.76 0.00 0.00 0.00 175.10 175.24 2eh0 s LEU 48 N 1.65 2.30 -0.41 3.92 2.01 -1.00 -4.97 118.68 122.18 2eh0 s LEU 48 Ca 0.04 0.92 -0.05 0.00 0.01 0.00 0.00 54.13 55.05 2eh0 s LEU 48 Cb -0.19 -3.35 0.10 0.00 0.01 0.00 0.00 46.19 42.76 2eh0 s LEU 48 CO 0.09 -2.18 0.22 -0.44 1.01 0.00 0.00 176.35 175.05 2eh0 s SER 49 N -4.27 5.39 0.00 2.29 0.01 -1.26 -4.86 113.70 111.00 2eh0 s SER 49 Ca 0.63 -1.80 0.00 0.00 1.31 0.00 0.00 55.95 56.08 2eh0 s SER 49 Cb -0.13 -1.89 0.00 0.00 0.21 0.00 0.00 66.02 64.21 2eh0 s SER 49 CO 0.51 -0.54 0.00 0.61 0.41 0.00 0.00 173.24 174.24 2eh0 n GLY 50 N 4.73 3.19 0.39 3.44 0.00 -1.26 -4.98 105.19 110.71 2eh0 n GLY 50 Ca -0.06 -0.01 0.21 0.00 0.00 0.00 0.00 46.02 46.15 2eh0 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2eh0 h ALA 51 N 0.00 2.52 -0.26 4.61 0.00 -2.00 -1.48 119.26 122.64 2eh0 h ALA 51 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2eh0 h ALA 51 Cb 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2eh0 h ALA 51 CO 0.00 -0.68 0.03 0.45 0.00 0.00 0.00 179.25 179.04 2eh0 h HIS 52 N 0.03 0.04 -0.86 0.00 3.86 -1.98 -3.42 115.15 112.81 2eh0 h HIS 52 Ca 0.28 0.02 -0.79 0.00 -1.16 0.00 0.00 60.37 58.71 2eh0 h HIS 52 Cb 1.08 0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.56 2eh0 h HIS 52 CO -0.00 -0.01 1.01 -0.89 0.86 0.00 0.00 177.93 178.89 2eh0 n ILE 53 N -5.12 0.10 -2.37 2.45 2.08 -0.56 -4.87 119.36 111.07 2eh0 n ILE 53 Ca -0.01 -0.04 -0.39 0.00 0.56 0.00 0.00 62.75 62.87 2eh0 n ILE 53 Cb 0.13 -0.81 -0.03 0.00 -0.75 0.00 0.00 39.64 38.17 2eh0 n ILE 53 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 2eh0 s LYS 54 N 4.36 4.33 0.46 0.38 -0.14 -1.26 -4.67 119.74 123.20 2eh0 s LYS 54 Ca 1.08 1.83 0.31 0.00 -1.36 0.00 0.00 55.97 57.83 2eh0 s LYS 54 Cb -1.32 -2.90 1.41 0.00 -1.68 0.00 0.00 37.83 33.33 2eh0 s LYS 54 CO 0.70 -0.08 1.69 0.93 -0.76 0.00 0.00 175.35 177.83 2eh0 h GLU 55 N 3.16 0.13 -1.56 1.68 3.07 -1.93 -1.17 114.58 117.97 2eh0 h GLU 55 Ca -0.48 -0.01 -0.48 0.00 -0.50 0.00 0.00 59.36 57.89 2eh0 h GLU 55 Cb 1.22 -0.03 -0.41 0.00 -0.84 0.00 0.00 28.75 28.69 2eh0 h GLU 55 CO 0.64 0.09 -0.99 0.39 -1.40 0.00 0.00 179.01 177.74 2eh0 n GLU 56 N -4.49 2.01 0.00 2.33 1.02 -1.26 -3.54 120.64 116.71 2eh0 n GLU 56 Ca 0.33 -3.85 0.00 0.00 -0.02 0.00 0.00 57.16 53.61 2eh0 n GLU 56 Cb 1.33 -1.76 0.00 0.00 -0.02 0.00 0.00 31.44 30.99 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 -0.12 0.00 -4.07 -0.32 -0.00 -0.44 -4.47 115.22 105.80 2eh0 n HIS 57 Ca 0.24 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.27 2eh0 n HIS 57 Cb 0.67 -0.46 -0.04 0.00 -0.12 0.00 0.00 29.99 30.05 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 -2.88 0.19 -0.24 0.00 1.01 -1.07 0.16 121.20 118.37 2eh0 s ILE 59 Ca 0.29 -1.53 -0.00 0.00 0.00 0.00 0.00 60.65 59.40 2eh0 s ILE 59 Cb -0.00 -1.31 0.07 0.00 0.01 0.00 0.00 42.46 41.23 2eh0 s ILE 59 CO 0.20 -0.84 0.00 -0.36 0.00 0.00 0.00 174.94 173.94 2eh0 s PHE 60 N -3.54 2.00 -0.21 3.97 0.08 0.20 -1.70 117.98 118.78 2eh0 s PHE 60 Ca 0.03 -1.59 -0.11 0.00 0.12 0.00 0.00 56.93 55.38 2eh0 s PHE 60 Cb 0.05 -1.54 -0.05 0.00 -0.57 0.00 0.00 43.02 40.91 2eh0 s PHE 60 CO -0.09 -0.76 0.17 0.50 -0.10 0.00 0.00 175.22 174.94 2eh0 s ARG 61 N 1.52 4.15 -0.32 0.44 3.52 -0.69 -0.35 118.95 127.23 2eh0 s ARG 61 Ca -0.01 -0.19 0.02 0.00 -0.13 0.00 0.00 55.73 55.41 2eh0 s ARG 61 Cb -0.18 -3.47 0.08 0.00 -1.56 0.00 0.00 34.95 29.82 2eh0 s ARG 61 CO -0.10 0.19 0.02 0.45 -0.81 0.00 0.00 175.30 175.05 2eh0 s SER 62 N 0.67 4.78 0.00 -2.12 0.15 -0.85 -1.80 113.70 114.54 2eh0 s SER 62 Ca 0.09 -1.77 0.03 0.00 0.70 0.00 0.00 55.95 55.00 2eh0 s SER 62 Cb -0.12 -1.66 -0.01 0.00 -1.71 0.00 0.00 66.02 62.52 2eh0 s SER 62 CO 0.01 -0.33 -0.08 -0.70 1.20 0.00 0.00 173.24 173.34 2eh0 s GLU 63 N 1.06 0.65 -0.17 5.44 2.12 -0.93 -3.22 118.70 123.65 2eh0 s GLU 63 Ca 0.02 -0.39 -0.29 0.00 0.36 0.00 0.00 54.97 54.68 2eh0 s GLU 63 Cb -0.20 -0.61 -0.00 0.00 0.26 0.00 0.00 34.13 33.58 2eh0 s GLU 63 CO -0.05 0.16 1.00 0.50 -0.54 0.00 0.00 175.26 176.33 2eh0 s ARG 64 N -0.45 4.34 0.82 4.30 3.52 -1.26 -1.34 118.95 128.87 2eh0 s ARG 64 Ca 0.01 1.33 -0.14 0.00 -0.13 0.00 0.00 55.73 56.81 2eh0 s ARG 64 Cb -0.04 -3.59 0.21 0.00 -1.56 0.00 0.00 34.95 29.97 2eh0 s ARG 64 CO -0.00 -0.45 0.53 0.45 -0.81 0.00 0.00 175.30 175.01 2eh0 n SER 65 N 5.59 -2.92 0.12 -2.12 2.88 0.19 -4.78 113.62 112.58 2eh0 n SER 65 Ca 0.10 -0.58 0.12 0.00 -1.33 0.00 0.00 58.87 57.17 2eh0 n SER 65 Cb 0.48 -0.57 0.47 0.00 -0.75 0.00 0.00 64.21 63.83 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 -4.52 0.64 -0.94 -3.46 4.13 -1.26 -2.03 115.26 107.83 2eh0 n ASN 66 Ca 0.08 0.64 0.11 0.00 1.68 0.00 0.00 54.58 57.09 2eh0 n ASN 66 Cb 0.34 -0.78 0.27 0.00 -1.54 0.00 0.00 39.78 38.07 2eh0 n ASN 66 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2eh0 n SER 67 N -2.19 2.80 -0.05 6.41 2.88 -1.26 -4.91 113.62 117.30 2eh0 n SER 67 Ca 0.03 -1.90 -0.01 0.00 -1.33 0.00 0.00 58.87 55.66 2eh0 n SER 67 Cb 0.26 -0.21 -0.00 0.00 -0.75 0.00 0.00 64.21 63.50 2eh0 n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eh0 n GLY 68 N 1.36 0.48 3.62 0.46 0.00 -0.86 -5.01 105.19 105.25 2eh0 n GLY 68 Ca 0.18 -0.35 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.87 4.04 -0.23 1.61 -1.05 -1.26 -4.79 118.70 116.15 2eh0 s GLU 69 Ca 0.00 -0.04 -0.29 0.00 -0.15 0.00 0.00 54.97 54.49 2eh0 s GLU 69 Cb 0.00 -3.62 -0.03 0.00 -0.44 0.00 0.00 34.13 30.04 2eh0 s GLU 69 CO 0.00 -0.16 1.72 0.08 0.95 0.00 0.00 175.26 177.84 2eh0 s VAL 70 N 1.72 3.56 -0.05 1.83 1.01 -1.26 -0.64 120.40 126.56 2eh0 s VAL 70 Ca 0.13 0.62 0.01 0.00 0.00 0.00 0.00 61.98 62.74 2eh0 s VAL 70 Cb -0.15 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 2eh0 s VAL 70 CO 0.09 -0.29 -0.07 -0.63 0.00 0.00 0.00 175.10 174.21 2eh0 s ILE 71 N 5.74 3.70 -0.09 2.22 -1.09 -0.45 -4.81 121.20 126.41 2eh0 s ILE 71 Ca 0.76 -0.53 0.02 0.00 -2.23 0.00 0.00 60.65 58.67 2eh0 s ILE 71 Cb -0.26 -2.53 -0.02 0.00 -1.58 0.00 0.00 42.46 38.07 2eh0 s ILE 71 CO 0.31 0.56 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.74 2eh0 s VAL 72 N -0.85 2.86 -0.01 2.92 1.01 -1.26 -2.19 120.40 122.89 2eh0 s VAL 72 Ca 0.13 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.41 2eh0 s VAL 72 Cb -0.11 -2.15 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 2eh0 s VAL 72 CO 0.03 0.56 -0.17 -0.89 0.00 0.00 0.00 175.10 174.62 2eh0 s THR 73 N -0.09 1.34 -0.21 3.92 2.01 -0.74 -0.28 115.64 121.58 2eh0 s THR 73 Ca -0.03 -0.75 -0.09 0.00 0.31 0.00 0.00 61.69 61.13 2eh0 s THR 73 Cb -0.14 -1.12 -0.04 0.00 0.01 0.00 0.00 72.50 71.21 2eh0 s THR 73 CO 0.04 0.36 0.11 -0.22 -0.69 0.00 0.00 174.62 174.21 2eh0 s LEU 74 N -0.45 3.96 -0.82 4.42 2.96 -0.54 -1.70 118.68 126.50 2eh0 s LEU 74 Ca 0.06 0.09 0.00 0.00 -0.22 0.00 0.00 54.13 54.07 2eh0 s LEU 74 Cb -0.07 -2.03 0.20 0.00 0.50 0.00 0.00 46.19 44.79 2eh0 s LEU 74 CO -0.00 0.12 0.68 -1.61 -1.32 0.00 0.00 176.35 174.21 2eh0 s GLU 75 N 0.73 2.99 1.04 1.98 2.02 -0.69 -3.15 118.70 123.62 2eh0 s GLU 75 Ca 0.06 -3.27 -0.14 0.00 0.02 0.00 0.00 54.97 51.64 2eh0 s GLU 75 Cb -0.13 -3.78 0.21 0.00 0.10 0.00 0.00 34.13 30.53 2eh0 s GLU 75 CO 0.02 -1.27 1.10 -1.25 0.02 0.00 0.00 175.26 173.88 2eh0 s PRO 76 N -1.33 0.06 0.74 0.39 0.04 -1.26 -2.60 135.00 131.04 2eh0 s PRO 76 Ca 0.26 0.39 -0.01 0.00 0.04 0.00 0.00 61.00 61.68 2eh0 s PRO 76 Cb -0.07 -1.71 0.14 0.00 0.04 0.00 0.00 34.50 32.91 2eh0 s PRO 76 CO -0.13 -2.95 1.02 0.00 0.04 0.00 0.00 177.00 174.98 2eh0 n GLU 78 N -2.89 0.64 -2.12 0.00 0.28 -1.26 -4.33 120.64 110.97 2eh0 n GLU 78 Ca 0.16 0.16 -0.22 0.00 -0.16 0.00 0.00 57.16 57.10 2eh0 n GLU 78 Cb 0.61 -1.72 0.02 0.00 1.43 0.00 0.00 31.44 31.78 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 -2.85 3.42 -4.50 3.44 1.74 -1.26 -5.05 116.66 111.60 2eh0 n ARG 79 Ca -0.17 -4.12 -0.25 0.00 -0.77 0.00 0.00 57.85 52.55 2eh0 n ARG 79 Cb 0.95 -2.21 -0.10 0.00 -1.02 0.00 0.00 32.46 30.08 2eh0 n ARG 79 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2eh0 s SER 80 N -3.62 3.59 -1.11 0.55 1.04 -1.26 -5.07 113.70 107.82 2eh0 s SER 80 Ca 0.49 -1.13 -0.06 0.00 0.48 0.00 0.00 55.95 55.72 2eh0 s SER 80 Cb 0.40 -0.31 0.28 0.00 0.10 0.00 0.00 66.02 66.49 2eh0 s SER 80 CO 0.02 -0.12 1.39 1.21 0.98 0.00 0.00 173.24 176.73 2eh0 n GLU 81 N -0.70 4.07 -4.23 4.02 2.13 -1.26 -4.91 120.64 119.75 2eh0 n GLU 81 Ca -0.05 -4.42 -0.28 0.00 0.66 0.00 0.00 57.16 53.06 2eh0 n GLU 81 Cb 0.62 -2.58 -0.09 0.00 0.27 0.00 0.00 31.44 29.66 2eh0 n GLU 81 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2eh0 s THR 82 N -1.89 3.43 -0.22 6.31 2.01 -1.26 -1.91 115.64 122.12 2eh0 s THR 82 Ca 0.32 -1.37 -0.11 0.00 0.31 0.00 0.00 61.69 60.84 2eh0 s THR 82 Cb -0.00 -2.65 0.08 0.00 0.01 0.00 0.00 72.50 69.93 2eh0 s THR 82 CO 0.03 0.02 0.51 -0.31 -0.69 0.00 0.00 174.62 174.18 2eh0 s TYR 83 N -1.43 -0.84 0.02 4.92 1.51 -0.23 -3.11 117.35 118.19 2eh0 s TYR 83 Ca 0.24 1.67 0.04 0.00 -1.01 0.00 0.00 57.07 58.00 2eh0 s TYR 83 Cb -0.10 0.43 -0.02 0.00 -0.11 0.00 0.00 41.96 42.16 2eh0 s TYR 83 CO 0.15 -0.46 -0.12 0.08 -1.11 0.00 0.00 175.55 174.10 2eh0 s VAL 84 N 1.89 0.94 -0.62 0.71 1.01 0.11 0.56 120.40 125.00 2eh0 s VAL 84 Ca -0.08 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.08 2eh0 s VAL 84 Cb -0.09 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.44 2eh0 s VAL 84 CO -0.15 0.03 0.00 -3.20 0.00 0.00 0.00 175.10 171.77 2eh0 n ASN 85 N 2.14 -2.80 0.00 3.32 2.85 0.19 -2.66 115.26 118.30 2eh0 n ASN 85 Ca -0.17 0.01 0.00 0.00 -0.11 0.00 0.00 54.58 54.31 2eh0 n ASN 85 Cb 0.55 -1.99 0.00 0.00 1.24 0.00 0.00 39.78 39.58 2eh0 n ASN 85 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2eh0 n GLY 86 N -1.14 0.72 1.75 8.20 0.00 -1.16 -4.86 105.19 108.69 2eh0 n GLY 86 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 2eh0 n GLY 86 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2eh0 n LYS 87 N -2.03 0.62 -2.61 1.61 5.02 -1.09 -5.14 118.16 114.53 2eh0 n LYS 87 Ca 0.00 -1.80 -0.35 0.00 -2.02 0.00 0.00 58.31 54.14 2eh0 n LYS 87 Cb 0.02 1.10 -0.05 0.00 -0.02 0.00 0.00 35.03 36.08 2eh0 n LYS 87 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2eh0 s ARG 88 N -2.79 4.07 -0.33 1.97 3.52 -1.26 0.09 118.95 124.22 2eh0 s ARG 88 Ca 0.13 1.37 0.01 0.00 -0.13 0.00 0.00 55.73 57.12 2eh0 s ARG 88 Cb 0.01 -2.33 0.10 0.00 -1.56 0.00 0.00 34.95 31.17 2eh0 s ARG 88 CO 0.09 -0.20 0.09 0.54 -0.81 0.00 0.00 175.30 175.02 2eh0 s VAL 89 N -1.87 1.45 -0.36 7.11 0.11 -1.18 -4.52 120.40 121.14 2eh0 s VAL 89 Ca 0.61 -1.85 0.13 0.00 -2.93 0.00 0.00 61.98 57.95 2eh0 s VAL 89 Cb -0.17 -2.08 0.34 0.00 -1.53 0.00 0.00 36.38 32.94 2eh0 s VAL 89 CO 0.22 -0.66 1.26 -1.20 -3.33 0.00 0.00 175.10 171.39 2eh0 n SER 90 N 4.53 3.05 -3.84 3.54 7.64 -1.26 -4.69 113.62 122.59 2eh0 n SER 90 Ca 0.01 -2.58 -0.11 0.00 1.01 0.00 0.00 58.87 57.20 2eh0 n SER 90 Cb 0.41 -0.35 -0.09 0.00 -1.01 0.00 0.00 64.21 63.18 2eh0 n SER 90 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2eh0 s GLN 91 N -2.02 0.66 -0.53 1.43 -1.52 -1.26 -4.95 119.66 111.47 2eh0 s GLN 91 Ca 0.28 -0.55 -0.27 0.00 -1.95 0.00 0.00 55.36 52.88 2eh0 s GLN 91 Cb 0.21 0.28 -0.02 0.00 -0.22 0.00 0.00 33.01 33.26 2eh0 s GLN 91 CO 0.08 -0.19 1.81 -1.25 -0.25 0.00 0.00 175.29 175.50 2eh0 s PRO 92 N -2.26 2.88 0.20 2.91 0.04 -1.26 -4.71 135.00 132.79 2eh0 s PRO 92 Ca -0.07 0.84 0.11 0.00 0.04 0.00 0.00 61.00 61.91 2eh0 s PRO 92 Cb -0.02 -4.31 -0.04 0.00 0.04 0.00 0.00 34.50 30.16 2eh0 s PRO 92 CO -0.02 -2.42 -0.21 0.14 0.04 0.00 0.00 177.00 174.53 2eh0 s VAL 93 N 8.24 2.53 -0.73 -0.36 -7.23 -1.19 -4.94 120.40 116.73 2eh0 s VAL 93 Ca 0.70 -1.98 -0.25 0.00 -1.81 0.00 0.00 61.98 58.63 2eh0 s VAL 93 Cb -0.15 -2.23 0.05 0.00 0.56 0.00 0.00 36.38 34.61 2eh0 s VAL 93 CO 0.25 -0.13 1.18 -1.10 -0.31 0.00 0.00 175.10 174.98 2eh0 s GLN 94 N -2.76 3.19 0.25 4.82 -0.21 -1.26 -1.46 119.66 122.23 2eh0 s GLN 94 Ca 0.22 -0.51 -0.24 0.00 0.02 0.00 0.00 55.36 54.85 2eh0 s GLN 94 Cb -0.08 -4.27 -0.16 0.00 1.00 0.00 0.00 33.01 29.51 2eh0 s GLN 94 CO 0.11 -2.03 0.35 1.28 -2.12 0.00 0.00 175.29 172.88 2eh0 n LEU 95 N 8.74 -1.70 -4.65 2.90 7.99 0.61 -4.93 117.00 125.96 2eh0 n LEU 95 Ca 0.03 0.96 -0.35 0.00 -0.01 0.00 0.00 56.01 56.64 2eh0 n LEU 95 Cb 0.48 -0.87 -0.10 0.00 -0.11 0.00 0.00 43.42 42.82 2eh0 n LEU 95 CO 0.68 -3.20 -0.26 -0.60 -1.51 0.00 0.00 177.39 172.50 2eh0 s ARG 96 N -0.94 3.77 -0.74 3.23 6.06 -1.26 -4.69 118.95 124.38 2eh0 s ARG 96 Ca 0.58 -0.35 -0.35 0.00 -2.50 0.00 0.00 55.73 53.12 2eh0 s ARG 96 Cb -0.78 -3.13 -0.19 0.00 0.06 0.00 0.00 34.95 30.92 2eh0 s ARG 96 CO 0.55 0.38 2.46 0.45 -2.50 0.00 0.00 175.30 176.63 2eh0 n SER 97 N 3.20 0.79 0.00 -2.12 2.88 -1.26 0.85 113.62 117.95 2eh0 n SER 97 Ca -0.17 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 2eh0 n SER 97 Cb 0.53 -1.01 0.00 0.00 -0.75 0.00 0.00 64.21 62.98 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 6.76 1.44 3.80 0.46 0.00 0.82 -4.88 105.19 113.58 2eh0 n GLY 98 Ca 0.58 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.16 7.20 -0.25 1.61 4.22 0.25 -4.78 114.94 121.03 2eh0 s ASN 99 Ca 0.00 1.74 -0.20 0.00 -2.14 0.00 0.00 52.86 52.26 2eh0 s ASN 99 Cb 0.00 -2.55 -0.02 0.00 1.28 0.00 0.00 41.25 39.96 2eh0 s ASN 99 CO 0.00 -0.13 0.60 -0.60 -2.04 0.00 0.00 177.10 174.94 2eh0 s ARG 100 N -2.33 4.11 0.04 3.55 3.52 -1.26 -2.55 118.95 124.03 2eh0 s ARG 100 Ca 0.52 0.51 0.07 0.00 -0.13 0.00 0.00 55.73 56.70 2eh0 s ARG 100 Cb -0.16 -3.64 -0.03 0.00 -1.56 0.00 0.00 34.95 29.56 2eh0 s ARG 100 CO 0.21 -0.38 -0.19 0.42 -0.81 0.00 0.00 175.30 174.56 2eh0 s ILE 101 N 2.39 2.76 -0.03 4.11 1.01 -0.80 0.54 121.20 131.16 2eh0 s ILE 101 Ca 0.25 -1.21 -0.03 0.00 0.00 0.00 0.00 60.65 59.66 2eh0 s ILE 101 Cb -0.16 -2.16 0.01 0.00 0.01 0.00 0.00 42.46 40.16 2eh0 s ILE 101 CO 0.09 0.33 0.09 -0.63 0.00 0.00 0.00 174.94 174.82 2eh0 s ILE 102 N -0.93 0.01 0.05 2.92 1.01 0.19 -1.47 121.20 122.98 2eh0 s ILE 102 Ca 0.15 -0.08 0.02 0.00 0.00 0.00 0.00 60.65 60.73 2eh0 s ILE 102 Cb -0.10 -0.17 -0.03 0.00 0.01 0.00 0.00 42.46 42.17 2eh0 s ILE 102 CO 0.05 -0.05 -0.07 -0.04 0.00 0.00 0.00 174.94 174.84 2eh0 s MET 103 N -0.11 0.54 0.00 2.79 -1.94 -1.07 -1.07 119.30 118.45 2eh0 s MET 103 Ca -0.02 -0.82 0.00 0.00 -1.71 0.00 0.00 55.69 53.14 2eh0 s MET 103 Cb -0.02 -0.23 0.00 0.00 2.01 0.00 0.00 34.83 36.60 2eh0 s MET 103 CO 0.00 0.03 0.00 0.41 -0.01 0.00 0.00 175.02 175.45 2eh0 n GLY 104 N 1.26 0.83 3.13 -0.03 0.00 -0.80 -3.50 105.19 106.08 2eh0 n GLY 104 Ca -0.21 0.58 -0.13 0.00 0.00 0.00 0.00 46.02 46.26 2eh0 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2eh0 s LYS 105 N 0.00 0.29 -1.38 1.61 3.01 -1.26 -4.86 119.74 117.14 2eh0 s LYS 105 Ca 0.00 0.41 0.00 0.00 -1.01 0.00 0.00 55.97 55.37 2eh0 s LYS 105 Cb 0.00 0.09 0.00 0.00 -1.01 0.00 0.00 37.83 36.91 2eh0 s LYS 105 CO 0.00 -0.07 0.00 0.09 0.51 0.00 0.00 175.35 175.88 2eh0 n ASN 106 N 3.24 -4.44 -2.52 2.83 3.02 -1.26 -4.86 115.26 111.28 2eh0 n ASN 106 Ca -0.16 0.19 -0.28 0.00 -0.03 0.00 0.00 54.58 54.31 2eh0 n ASN 106 Cb 0.57 -3.81 0.00 0.00 -0.61 0.00 0.00 39.78 35.93 2eh0 n ASN 106 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2eh0 n HIS 107 N -3.19 3.43 -2.81 3.10 8.25 -1.23 -4.88 115.22 117.88 2eh0 n HIS 107 Ca -0.17 -3.12 -0.32 0.00 -0.26 0.00 0.00 57.72 53.85 2eh0 n HIS 107 Cb 0.60 -0.14 -0.05 0.00 1.12 0.00 0.00 29.99 31.52 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 -5.48 4.61 -0.10 1.59 1.01 -1.26 -2.60 120.40 118.17 2eh0 s VAL 108 Ca 0.48 1.04 -0.18 0.00 0.00 0.00 0.00 61.98 63.32 2eh0 s VAL 108 Cb 0.40 -3.67 0.04 0.00 0.00 0.00 0.00 36.38 33.15 2eh0 s VAL 108 CO -0.20 -0.43 0.45 -0.36 0.00 0.00 0.00 175.10 174.56 2eh0 s PHE 109 N -2.29 -0.43 -0.12 5.22 0.08 -0.55 -3.90 117.98 116.00 2eh0 s PHE 109 Ca 0.56 0.91 -0.04 0.00 0.12 0.00 0.00 56.93 58.48 2eh0 s PHE 109 Cb -0.10 0.19 -0.03 0.00 -0.57 0.00 0.00 43.02 42.50 2eh0 s PHE 109 CO 0.24 -0.35 0.02 0.50 -0.10 0.00 0.00 175.22 175.53 2eh0 s ARG 110 N -0.50 3.33 -0.17 0.44 3.52 0.86 -1.91 118.95 124.51 2eh0 s ARG 110 Ca -0.06 -0.39 -0.21 0.00 -0.13 0.00 0.00 55.73 54.94 2eh0 s ARG 110 Cb -0.03 -2.93 -0.03 0.00 -1.56 0.00 0.00 34.95 30.40 2eh0 s ARG 110 CO 0.03 0.55 0.64 0.12 -0.81 0.00 0.00 175.30 175.83 2eh0 s PHE 111 N -0.45 3.42 -0.35 5.12 5.36 -1.06 -1.20 117.98 128.82 2eh0 s PHE 111 Ca 0.09 0.99 0.00 0.00 -0.96 0.00 0.00 56.93 57.05 2eh0 s PHE 111 Cb -0.12 -2.79 0.09 0.00 -0.34 0.00 0.00 43.02 39.86 2eh0 s PHE 111 CO 0.02 -0.11 0.08 1.21 -1.46 0.00 0.00 175.22 174.96 2eh0 s ASN 112 N 1.09 4.95 -0.71 6.13 3.84 -0.99 -0.13 114.94 129.12 2eh0 s ASN 112 Ca 0.30 -1.85 0.05 0.00 0.21 0.00 0.00 52.86 51.57 2eh0 s ASN 112 Cb -0.16 -1.71 0.18 0.00 -0.55 0.00 0.00 41.25 39.01 2eh0 s ASN 112 CO 0.12 -0.40 0.54 1.57 -2.79 0.00 0.00 177.10 176.14 2eh0 n HIS 113 N 4.47 3.36 0.97 0.43 -0.00 -1.26 -3.26 115.22 119.93 2eh0 n HIS 113 Ca -0.04 -4.29 0.07 0.00 0.46 0.00 0.00 57.72 53.93 2eh0 n HIS 113 Cb 0.42 -0.63 0.44 0.00 -0.12 0.00 0.00 29.99 30.10 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 1.80 0.49 -0.05 1.57 -0.04 -1.26 -2.69 135.00 134.82 2eh0 n PRO 114 Ca 0.21 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.47 2eh0 n PRO 114 Cb 0.36 -1.48 -0.13 0.00 -0.04 0.00 0.00 33.50 32.21 2eh0 n PRO 114 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2eh0 h GLU 115 N 0.00 0.11 0.04 0.54 4.81 -1.91 -3.35 114.58 114.81 2eh0 h GLU 115 Ca 0.00 -0.18 -0.25 0.00 -0.13 0.00 0.00 59.36 58.80 2eh0 h GLU 115 Cb 0.00 0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.46 2eh0 h GLU 115 CO 0.00 1.09 -1.05 0.37 -0.73 0.00 0.00 179.01 178.69 2eh0 h GLN 116 N -0.69 0.45 0.00 1.92 4.15 -1.84 -3.13 115.11 115.97 2eh0 h GLN 116 Ca -0.26 -0.54 0.00 0.00 0.77 0.00 0.00 58.65 58.62 2eh0 h GLN 116 Cb 1.45 0.16 0.00 0.00 0.21 0.00 0.00 27.48 29.30 2eh0 h GLN 116 CO -0.05 1.19 0.10 0.00 -1.93 0.00 0.00 178.83 178.13 2eh0 n ALA 117 N -2.57 0.90 0.24 3.38 0.00 -1.09 -0.39 120.51 120.98 2eh0 n ALA 117 Ca -0.08 0.15 0.13 0.00 0.00 0.00 0.00 53.44 53.64 2eh0 n ALA 117 Cb 0.89 -1.10 0.48 0.00 0.00 0.00 0.00 19.45 19.72 2eh0 n ALA 117 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2eh0 h ARG 118 N 0.00 0.00 0.00 0.00 0.11 -1.68 -2.85 114.38 109.96 2eh0 h ARG 118 Ca 0.00 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 2eh0 h ARG 118 Cb 0.19 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.27 2eh0 h ARG 118 CO 0.00 0.09 -0.44 0.00 0.10 0.00 0.00 179.97 179.72 2eh0 h ALA 119 N 1.91 0.79 -0.89 0.08 0.00 -0.92 -3.33 119.26 116.90 2eh0 h ALA 119 Ca -0.00 -0.17 0.26 0.00 0.00 0.00 0.00 54.91 55.00 2eh0 h ALA 119 Cb 0.73 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 2eh0 h ALA 119 CO 0.01 0.21 1.13 0.93 0.00 0.00 0.00 179.25 181.53 2eh0 h GLU 120 N 0.00 0.00 0.02 0.00 4.39 -1.59 0.80 114.58 118.20 2eh0 h GLU 120 Ca -0.01 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 2eh0 h GLU 120 Cb 1.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 2eh0 h GLU 120 CO 0.02 0.00 -0.11 0.07 -1.16 0.00 0.00 179.01 177.82 2eh0 h ARG 121 N 0.00 0.05 -0.72 2.33 0.11 -1.80 -3.34 114.38 111.01 2eh0 h ARG 121 Ca 0.42 -0.07 0.01 0.00 0.10 0.00 0.00 59.98 60.44 2eh0 h ARG 121 Cb 2.67 0.03 -0.04 0.00 1.11 0.00 0.00 29.97 33.74 2eh0 h ARG 121 CO -0.00 1.00 0.48 1.05 0.10 0.00 0.00 179.97 182.60 2eh0 h GLU 122 N -0.87 0.94 -7.45 0.08 4.11 0.33 -3.43 114.58 108.29 2eh0 h GLU 122 Ca -0.02 -0.06 -0.44 0.00 0.07 0.00 0.00 59.36 58.92 2eh0 h GLU 122 Cb 1.06 -0.21 0.17 0.00 0.50 0.00 0.00 28.75 30.26 2eh0 h GLU 122 CO 0.02 0.62 0.21 -1.59 0.07 0.00 0.00 179.01 178.35 2eh0 s LYS 123 N -6.14 -0.09 0.25 1.06 -2.85 -0.49 -5.03 119.74 106.45 2eh0 s LYS 123 Ca -0.13 0.14 -0.15 0.00 -1.00 0.00 0.00 55.97 54.83 2eh0 s LYS 123 Cb 0.15 -1.71 -0.08 0.00 -2.06 0.00 0.00 37.83 34.13 2eh0 s LYS 123 CO 0.77 -3.00 0.66 0.99 0.10 0.00 0.00 175.35 174.87 2eh0 s THR 124 N -3.14 4.74 -0.30 3.79 2.01 -1.26 -4.93 115.64 116.55 2eh0 s THR 124 Ca 0.68 0.90 -0.13 0.00 0.31 0.00 0.00 61.69 63.45 2eh0 s THR 124 Cb -0.13 -3.69 0.15 0.00 0.01 0.00 0.00 72.50 68.84 2eh0 s THR 124 CO 0.56 0.01 0.86 -0.44 -0.69 0.00 0.00 174.62 174.92 2eh0 s SER 125 N -2.04 -0.79 0.04 3.53 0.01 -1.26 -5.06 113.70 108.12 2eh0 s SER 125 Ca 0.47 1.08 -0.00 0.00 1.31 0.00 0.00 55.95 58.81 2eh0 s SER 125 Cb -0.13 1.90 0.00 0.00 0.21 0.00 0.00 66.02 68.00 2eh0 s SER 125 CO 0.19 -0.15 0.05 0.61 0.41 0.00 0.00 173.24 174.35 2eh0 n GLY 126 N 5.15 3.14 3.77 3.44 0.00 -1.26 -5.16 105.19 114.27 2eh0 n GLY 126 Ca -0.10 -1.43 -0.34 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.09 2.98 0.66 1.61 0.04 -1.26 -5.06 135.00 131.89 2eh0 s PRO 127 Ca 0.03 1.46 0.04 0.00 0.04 0.00 0.00 61.00 62.57 2eh0 s PRO 127 Cb -0.00 -1.97 0.11 0.00 0.04 0.00 0.00 34.50 32.68 2eh0 s PRO 127 CO 0.02 -1.12 0.91 -1.54 0.04 0.00 0.00 177.00 175.32 2eh0 s SER 128 N -2.33 4.64 -0.44 6.66 1.04 -1.26 -5.08 113.70 116.94 2eh0 s SER 128 Ca 0.69 -0.57 -0.02 0.00 0.48 0.00 0.00 55.95 56.52 2eh0 s SER 128 Cb -0.22 0.13 0.12 0.00 0.10 0.00 0.00 66.02 66.15 2eh0 s SER 128 CO 0.37 -1.66 0.23 -0.94 0.98 0.00 0.00 173.24 172.22 2eh0 s SER 129 N -4.71 5.19 0.00 7.02 1.04 -1.26 -5.35 113.70 115.63 2eh0 s SER 129 Ca 0.65 -2.19 0.24 0.00 0.48 0.00 0.00 55.95 55.13 2eh0 s SER 129 Cb -0.05 -1.81 0.27 0.00 0.10 0.00 0.00 66.02 64.52 2eh0 s SER 129 CO 0.42 -0.50 1.30 0.61 0.98 0.00 0.00 173.24 176.06