#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eh0 h SER 2 N 0.00 -1.51 -5.03 1.61 0.02 -1.97 -3.46 113.55 103.21 2eh0 h SER 2 Ca 0.00 0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 61.08 2eh0 h SER 2 Cb 0.00 0.58 -0.13 0.00 0.14 0.00 0.00 62.40 62.99 2eh0 h SER 2 CO 0.00 -0.50 0.07 -0.44 -1.14 0.00 0.00 176.83 174.82 2eh0 s SER 3 N -4.77 -0.42 0.00 3.07 0.01 -1.26 -4.87 113.70 105.45 2eh0 s SER 3 Ca -0.16 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.03 2eh0 s SER 3 Cb 0.07 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.84 2eh0 s SER 3 CO 0.62 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 174.01 2eh0 n GLY 4 N -0.15 -1.41 2.74 3.44 0.00 -1.26 -5.00 105.19 103.56 2eh0 n GLY 4 Ca -0.17 0.38 -0.08 0.00 0.00 0.00 0.00 46.02 46.15 2eh0 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2eh0 n SER 5 N -1.46 -1.08 -4.45 1.61 3.41 -1.26 -4.86 113.62 105.53 2eh0 n SER 5 Ca 0.00 0.14 -0.27 0.00 -0.26 0.00 0.00 58.87 58.47 2eh0 n SER 5 Cb 0.00 -1.03 -0.11 0.00 -0.26 0.00 0.00 64.21 62.80 2eh0 n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2eh0 s SER 6 N -2.09 3.61 0.00 4.04 0.01 -1.26 -5.09 113.70 112.92 2eh0 s SER 6 Ca 0.16 -0.78 0.00 0.00 1.31 0.00 0.00 55.95 56.64 2eh0 s SER 6 Cb -0.09 -0.36 0.00 0.00 0.21 0.00 0.00 66.02 65.78 2eh0 s SER 6 CO 0.19 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.58 2eh0 n GLY 7 N 0.33 4.14 3.13 3.44 0.00 -1.26 -4.69 105.19 110.27 2eh0 n GLY 7 Ca -0.13 -1.15 -0.18 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.47 0.97 0.41 2.61 2.01 -1.26 -4.50 115.64 115.40 2eh0 s THR 8 Ca 0.00 -1.09 -0.25 0.00 0.31 0.00 0.00 61.69 60.66 2eh0 s THR 8 Cb 0.00 -0.92 -0.08 0.00 0.01 0.00 0.00 72.50 71.51 2eh0 s THR 8 CO 0.00 -0.15 1.19 -2.16 -0.69 0.00 0.00 174.62 172.81 2eh0 s PRO 9 N -1.39 4.02 0.03 4.92 0.04 -1.26 -4.48 135.00 136.87 2eh0 s PRO 9 Ca -0.02 1.88 -0.26 0.00 0.04 0.00 0.00 61.00 62.64 2eh0 s PRO 9 Cb -0.09 -2.67 0.06 0.00 0.04 0.00 0.00 34.50 31.85 2eh0 s PRO 9 CO 0.01 -0.36 0.60 -3.38 0.04 0.00 0.00 177.00 173.91 2eh0 s HIS 10 N -1.40 -0.54 -0.21 0.56 -3.43 -1.19 0.20 115.29 109.28 2eh0 s HIS 10 Ca 0.58 0.72 -0.08 0.00 -0.80 0.00 0.00 55.06 55.47 2eh0 s HIS 10 Cb -0.32 0.41 -0.04 0.00 -1.43 0.00 0.00 32.58 31.21 2eh0 s HIS 10 CO 0.40 -0.67 0.08 -0.51 -2.00 0.00 0.00 174.74 172.04 2eh0 s LEU 11 N -1.79 3.72 -0.01 5.38 1.43 0.14 -2.19 118.68 125.36 2eh0 s LEU 11 Ca -0.07 -0.02 -0.10 0.00 -1.03 0.00 0.00 54.13 52.91 2eh0 s LEU 11 Cb -0.01 -1.97 -0.05 0.00 0.03 0.00 0.00 46.19 44.20 2eh0 s LEU 11 CO 0.01 0.08 0.31 -0.69 0.23 0.00 0.00 176.35 176.30 2eh0 s VAL 12 N 0.92 5.21 -1.29 -1.59 1.01 0.22 0.28 120.40 125.16 2eh0 s VAL 12 Ca 0.04 0.47 -0.12 0.00 0.00 0.00 0.00 61.98 62.37 2eh0 s VAL 12 Cb -0.14 -3.60 0.14 0.00 0.00 0.00 0.00 36.38 32.79 2eh0 s VAL 12 CO 0.03 0.48 1.80 -3.20 0.00 0.00 0.00 175.10 174.21 2eh0 n ASN 13 N 1.52 4.93 0.00 3.32 5.15 0.17 -0.68 115.26 129.67 2eh0 n ASN 13 Ca -0.14 -3.02 0.07 0.00 -0.60 0.00 0.00 54.58 50.90 2eh0 n ASN 13 Cb 0.53 -1.55 0.43 0.00 -0.53 0.00 0.00 39.78 38.66 2eh0 n ASN 13 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2eh0 n LEU 14 N 5.09 0.00 -4.30 1.20 -0.00 -1.26 -4.86 117.00 112.88 2eh0 n LEU 14 Ca 0.42 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 56.10 2eh0 n LEU 14 Cb 0.39 0.00 0.15 0.00 -0.00 0.00 0.00 43.42 43.96 2eh0 n LEU 14 CO 0.77 0.00 -0.51 0.59 -0.00 0.00 0.00 177.39 178.25 2eh0 n ASN 15 N -0.83 -2.42 -0.07 1.45 3.02 -1.26 -4.95 115.26 110.19 2eh0 n ASN 15 Ca 0.11 0.02 -0.10 0.00 -0.03 0.00 0.00 54.58 54.58 2eh0 n ASN 15 Cb 0.05 -1.00 -0.15 0.00 -0.61 0.00 0.00 39.78 38.07 2eh0 n ASN 15 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2eh0 n GLU 16 N -1.63 0.67 -0.94 3.52 0.28 -1.26 -4.92 120.64 116.36 2eh0 n GLU 16 Ca 0.02 0.11 -0.21 0.00 -0.16 0.00 0.00 57.16 56.92 2eh0 n GLU 16 Cb 0.60 -1.61 -0.11 0.00 1.43 0.00 0.00 31.44 31.75 2eh0 n GLU 16 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2eh0 n ASP 17 N -2.90 -0.26 0.00 -1.84 9.92 -1.26 -4.66 116.55 115.55 2eh0 n ASP 17 Ca -0.29 -0.07 0.06 0.00 -0.53 0.00 0.00 54.79 53.96 2eh0 n ASP 17 Cb 1.11 -0.48 0.34 0.00 -0.64 0.00 0.00 41.12 41.45 2eh0 n ASP 17 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2eh0 n PRO 18 N 4.60 0.49 0.00 -0.24 -0.04 -1.26 -1.78 135.00 136.77 2eh0 n PRO 18 Ca 0.42 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.92 2eh0 n PRO 18 Cb 0.05 -1.36 -0.05 0.00 -0.04 0.00 0.00 33.50 32.10 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 -0.86 0.50 -3.55 1.53 4.77 -1.26 -5.03 117.00 113.10 2eh0 n LEU 19 Ca 0.09 -0.52 -0.50 0.00 -0.03 0.00 0.00 56.01 55.05 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 0.06 0.12 0.73 1.15 -1.33 0.00 0.00 177.39 178.13 2eh0 n MET 20 N -1.13 0.00 0.00 3.23 0.00 -0.73 -4.82 117.12 113.66 2eh0 n MET 20 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 57.70 57.77 2eh0 n MET 20 Cb 0.15 -1.14 -0.05 0.00 0.00 0.00 0.00 33.22 32.17 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 2.42 0.64 -4.90 3.17 2.88 -1.26 -5.01 113.62 111.57 2eh0 n SER 21 Ca 0.21 -0.82 -0.29 0.00 -1.33 0.00 0.00 58.87 56.64 2eh0 n SER 21 Cb -0.01 0.92 0.06 0.00 -0.75 0.00 0.00 64.21 64.44 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 -1.97 2.49 0.35 -1.46 0.41 -1.26 -4.98 118.70 112.27 2eh0 s GLU 22 Ca 0.05 0.25 -0.26 0.00 -0.41 0.00 0.00 54.97 54.60 2eh0 s GLU 22 Cb 0.09 -2.02 -0.13 0.00 -1.78 0.00 0.00 34.13 30.28 2eh0 s GLU 22 CO 0.43 -1.23 0.89 0.00 -0.49 0.00 0.00 175.26 174.87 2eh0 h LEU 24 N 1.56 0.54 -8.54 0.00 -0.00 -1.96 -3.45 115.31 103.46 2eh0 h LEU 24 Ca -0.41 -0.04 -0.26 0.00 -0.00 0.00 0.00 57.88 57.18 2eh0 h LEU 24 Cb 1.36 -0.14 -0.10 0.00 -0.00 0.00 0.00 40.66 41.78 2eh0 h LEU 24 CO 0.57 0.45 -0.29 -1.48 -0.00 0.00 0.00 178.44 177.69 2eh0 s LEU 25 N -9.43 1.01 -0.04 1.67 0.05 -1.26 0.44 118.68 111.12 2eh0 s LEU 25 Ca -0.08 -1.41 -0.00 0.00 0.05 0.00 0.00 54.13 52.68 2eh0 s LEU 25 Cb 0.17 1.21 0.03 0.00 -2.05 0.00 0.00 46.19 45.55 2eh0 s LEU 25 CO 0.75 -1.16 0.01 -0.31 -0.55 0.00 0.00 176.35 175.09 2eh0 s TYR 26 N -3.47 0.34 0.11 3.48 2.02 0.14 -4.96 117.35 115.02 2eh0 s TYR 26 Ca 0.32 0.02 -0.25 0.00 -0.37 0.00 0.00 57.07 56.79 2eh0 s TYR 26 Cb 0.01 -0.51 -0.07 0.00 -0.40 0.00 0.00 41.96 40.99 2eh0 s TYR 26 CO 0.18 -0.18 0.75 0.71 -1.57 0.00 0.00 175.55 175.44 2eh0 s TYR 27 N 1.46 3.83 -0.24 2.71 2.02 -1.26 0.25 117.35 126.12 2eh0 s TYR 27 Ca -0.04 1.54 -0.03 0.00 -0.37 0.00 0.00 57.07 58.17 2eh0 s TYR 27 Cb -0.13 -2.76 0.01 0.00 -0.40 0.00 0.00 41.96 38.68 2eh0 s TYR 27 CO -0.03 0.42 -0.05 0.42 -1.57 0.00 0.00 175.55 174.74 2eh0 s ILE 28 N -0.70 3.08 1.08 2.71 1.01 0.13 -4.95 121.20 123.56 2eh0 s ILE 28 Ca 0.36 -0.80 -0.17 0.00 0.00 0.00 0.00 60.65 60.04 2eh0 s ILE 28 Cb -0.22 -2.49 0.24 0.00 0.01 0.00 0.00 42.46 40.00 2eh0 s ILE 28 CO 0.24 0.30 1.18 -1.59 0.00 0.00 0.00 174.94 175.07 2eh0 s LYS 29 N 1.39 -0.26 -0.68 2.79 0.00 -1.26 -3.99 119.74 117.73 2eh0 s LYS 29 Ca 0.03 -0.11 -0.26 0.00 0.00 0.00 0.00 55.97 55.63 2eh0 s LYS 29 Cb -0.15 -1.71 0.04 0.00 0.00 0.00 0.00 37.83 36.00 2eh0 s LYS 29 CO -0.04 -3.06 1.17 0.16 0.00 0.00 0.00 175.35 173.57 2eh0 s ASP 30 N -4.22 6.22 0.00 0.03 1.47 -1.26 -4.69 116.67 114.21 2eh0 s ASP 30 Ca 0.71 -0.49 0.00 0.00 1.18 0.00 0.00 52.55 53.94 2eh0 s ASP 30 Cb -0.09 -2.52 0.00 0.00 -0.34 0.00 0.00 42.92 39.98 2eh0 s ASP 30 CO 0.55 -1.65 0.00 0.61 0.68 0.00 0.00 175.17 175.36 2eh0 n GLY 31 N 5.30 -0.60 2.84 2.12 0.00 -1.25 -5.01 105.19 108.59 2eh0 n GLY 31 Ca 0.02 0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 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 1.17 -0.61 -0.61 1.09 -1.26 -1.49 121.20 119.50 2eh0 s ILE 32 Ca 0.00 -1.22 -0.21 0.00 -1.10 0.00 0.00 60.65 58.13 2eh0 s ILE 32 Cb 0.00 -1.66 0.08 0.00 -1.06 0.00 0.00 42.46 39.82 2eh0 s ILE 32 CO 0.00 -0.33 0.80 -0.89 -0.10 0.00 0.00 174.94 174.42 2eh0 s THR 33 N 1.52 4.62 -0.30 2.92 2.01 0.12 -4.88 115.64 121.65 2eh0 s THR 33 Ca 0.01 -0.63 -0.29 0.00 0.31 0.00 0.00 61.69 61.09 2eh0 s THR 33 Cb -0.18 -4.54 0.01 0.00 0.01 0.00 0.00 72.50 67.80 2eh0 s THR 33 CO -0.12 -1.21 1.08 -0.13 -0.69 0.00 0.00 174.62 173.55 2eh0 s ARG 34 N 3.26 4.09 -0.10 4.92 0.52 -1.26 -0.69 118.95 129.70 2eh0 s ARG 34 Ca 0.17 1.13 -0.20 0.00 -0.52 0.00 0.00 55.73 56.31 2eh0 s ARG 34 Cb -0.20 -3.73 -0.04 0.00 0.52 0.00 0.00 34.95 31.50 2eh0 s ARG 34 CO 0.09 -0.87 0.56 0.08 0.02 0.00 0.00 175.30 175.19 2eh0 s VAL 35 N 3.62 5.13 0.00 3.52 1.01 0.58 -1.78 120.40 132.48 2eh0 s VAL 35 Ca 0.46 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.58 2eh0 s VAL 35 Cb -0.13 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.35 2eh0 s VAL 35 CO 0.14 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.15 2eh0 n GLY 36 N 3.21 -1.00 3.94 4.51 0.00 -0.58 -2.12 105.19 113.14 2eh0 n GLY 36 Ca -0.05 0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.29 2.99 0.16 1.61 -1.52 -1.24 -2.72 119.66 118.65 2eh0 s GLN 37 Ca 0.00 -1.11 0.26 0.00 -1.95 0.00 0.00 55.36 52.57 2eh0 s GLN 37 Cb 0.00 -2.70 0.83 0.00 -0.22 0.00 0.00 33.01 30.92 2eh0 s GLN 37 CO 0.00 0.09 1.75 0.00 -0.25 0.00 0.00 175.29 176.87 2eh0 n ALA 38 N -1.53 2.39 0.04 6.09 0.00 -1.26 -3.39 120.51 122.85 2eh0 n ALA 38 Ca -0.01 -0.07 -0.08 0.00 0.00 0.00 0.00 53.44 53.28 2eh0 n ALA 38 Cb 0.59 -1.43 -0.13 0.00 0.00 0.00 0.00 19.45 18.48 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 0.04 -1.37 0.00 3.32 -1.95 -3.44 116.42 113.02 2eh0 h ASP 39 Ca 0.00 -0.05 -0.49 0.00 0.02 0.00 0.00 57.03 56.51 2eh0 h ASP 39 Cb 0.69 -0.01 0.13 0.00 0.22 0.00 0.00 39.33 40.36 2eh0 h ASP 39 CO 0.00 1.04 -0.78 0.00 -1.72 0.00 0.00 179.24 177.78 2eh0 n ALA 40 N -2.42 -2.67 -0.26 3.45 0.00 -1.22 -4.68 120.51 112.72 2eh0 n ALA 40 Ca -0.05 0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.54 2eh0 n ALA 40 Cb 0.97 -1.16 0.17 0.00 0.00 0.00 0.00 19.45 19.43 2eh0 n ALA 40 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2eh0 n GLU 41 N 1.08 -0.06 -4.15 0.00 0.28 -1.26 -4.32 120.64 112.22 2eh0 n GLU 41 Ca 0.08 1.11 -0.22 0.00 -0.16 0.00 0.00 57.16 57.97 2eh0 n GLU 41 Cb 0.33 -1.72 -0.05 0.00 1.43 0.00 0.00 31.44 31.43 2eh0 n GLU 41 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2eh0 s ARG 42 N -5.75 2.81 -0.91 3.44 1.81 -1.26 -5.03 118.95 114.06 2eh0 s ARG 42 Ca -0.10 -1.11 -0.24 0.00 -1.72 0.00 0.00 55.73 52.56 2eh0 s ARG 42 Cb 0.21 -2.50 -0.04 0.00 -0.45 0.00 0.00 34.95 32.17 2eh0 s ARG 42 CO 0.57 0.40 1.91 0.50 -0.68 0.00 0.00 175.30 178.00 2eh0 s ARG 43 N -3.78 2.62 -0.31 3.54 3.52 -1.26 -4.80 118.95 118.48 2eh0 s ARG 43 Ca 0.32 -0.34 -0.39 0.00 -0.13 0.00 0.00 55.73 55.20 2eh0 s ARG 43 Cb -0.08 -5.08 -0.14 0.00 -1.56 0.00 0.00 34.95 28.09 2eh0 s ARG 43 CO 0.24 -3.30 1.92 1.04 -0.81 0.00 0.00 175.30 174.39 2eh0 n GLN 44 N 8.86 1.07 -0.56 5.12 1.13 -1.25 -4.75 117.38 127.00 2eh0 n GLN 44 Ca 0.40 0.36 0.46 0.00 -1.94 0.00 0.00 57.00 56.28 2eh0 n GLN 44 Cb 0.47 -2.18 0.78 0.00 0.11 0.00 0.00 30.24 29.42 2eh0 n GLN 44 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 2eh0 h ASP 45 N 8.98 0.04 -3.41 1.08 3.32 -1.70 -3.35 116.42 121.38 2eh0 h ASP 45 Ca -0.38 0.02 -0.47 0.00 0.02 0.00 0.00 57.03 56.23 2eh0 h ASP 45 Cb 1.33 0.02 -0.34 0.00 0.22 0.00 0.00 39.33 40.55 2eh0 h ASP 45 CO 0.99 -0.03 -0.79 -0.63 -1.72 0.00 0.00 179.24 177.06 2eh0 s ILE 46 N -4.96 0.84 -0.32 0.35 1.01 -1.20 -4.93 121.20 111.98 2eh0 s ILE 46 Ca -0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 60.65 60.30 2eh0 s ILE 46 Cb 0.26 -0.82 0.07 0.00 0.01 0.00 0.00 42.46 41.98 2eh0 s ILE 46 CO 0.86 0.30 0.04 -0.69 0.00 0.00 0.00 174.94 175.45 2eh0 s VAL 47 N 0.93 2.95 0.75 2.92 1.01 -1.25 -1.53 120.40 126.18 2eh0 s VAL 47 Ca -0.10 -1.61 -0.06 0.00 0.00 0.00 0.00 61.98 60.21 2eh0 s VAL 47 Cb -0.15 -2.81 0.11 0.00 0.00 0.00 0.00 36.38 33.54 2eh0 s VAL 47 CO 0.01 -0.26 1.05 -0.76 0.00 0.00 0.00 175.10 175.14 2eh0 s LEU 48 N 1.19 2.89 0.00 3.92 2.01 -1.10 -4.93 118.68 122.67 2eh0 s LEU 48 Ca -0.01 0.08 0.09 0.00 0.01 0.00 0.00 54.13 54.30 2eh0 s LEU 48 Cb -0.20 -2.52 0.09 0.00 0.01 0.00 0.00 46.19 43.57 2eh0 s LEU 48 CO -0.02 -1.89 0.73 -0.24 1.01 0.00 0.00 176.35 175.94 2eh0 n SER 49 N -3.02 2.01 -1.01 2.29 2.88 -1.26 -4.91 113.62 110.61 2eh0 n SER 49 Ca 0.12 -2.46 0.00 0.00 -1.33 0.00 0.00 58.87 55.20 2eh0 n SER 49 Cb 0.60 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 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 -1.60 -4.04 0.00 0.46 0.00 -1.26 -4.61 105.19 94.15 2eh0 n GLY 50 Ca 0.14 -0.87 0.02 0.00 0.00 0.00 0.00 46.02 45.32 2eh0 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2eh0 n ALA 51 N -0.91 2.46 0.44 4.61 0.00 -1.26 -3.36 120.51 122.49 2eh0 n ALA 51 Ca 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.46 2eh0 n ALA 51 Cb 0.00 -1.07 0.18 0.00 0.00 0.00 0.00 19.45 18.56 2eh0 n ALA 51 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2eh0 n HIS 52 N -0.58 0.77 -4.02 0.00 8.25 -1.26 -4.89 115.22 113.49 2eh0 n HIS 52 Ca 0.03 -0.30 -0.22 0.00 -0.26 0.00 0.00 57.72 56.97 2eh0 n HIS 52 Cb 0.02 -0.16 -0.05 0.00 1.12 0.00 0.00 29.99 30.92 2eh0 n HIS 52 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2eh0 s ILE 53 N -1.70 3.85 -0.00 1.59 -1.09 -1.21 -4.64 121.20 118.00 2eh0 s ILE 53 Ca 0.26 -1.47 0.05 0.00 -2.23 0.00 0.00 60.65 57.25 2eh0 s ILE 53 Cb 0.17 -3.22 -0.03 0.00 -1.58 0.00 0.00 42.46 37.80 2eh0 s ILE 53 CO 0.12 -0.27 -0.15 -0.54 -1.23 0.00 0.00 174.94 172.87 2eh0 s LYS 54 N -3.88 2.32 0.55 2.79 -0.14 -1.26 -4.98 119.74 115.14 2eh0 s LYS 54 Ca 0.36 -0.82 0.35 0.00 -1.36 0.00 0.00 55.97 54.50 2eh0 s LYS 54 Cb -0.06 -2.31 1.52 0.00 -1.68 0.00 0.00 37.83 35.30 2eh0 s LYS 54 CO 0.25 0.58 1.82 0.93 -0.76 0.00 0.00 175.35 178.18 2eh0 h GLU 55 N 4.89 0.00 -0.55 1.68 3.07 -1.91 -0.63 114.58 121.12 2eh0 h GLU 55 Ca -0.47 0.00 -0.36 0.00 -0.50 0.00 0.00 59.36 58.03 2eh0 h GLU 55 Cb 1.15 0.00 -0.41 0.00 -0.84 0.00 0.00 28.75 28.66 2eh0 h GLU 55 CO 0.50 0.00 -1.00 0.39 -1.40 0.00 0.00 179.01 177.50 2eh0 n GLU 56 N -4.16 2.47 0.00 2.33 -0.58 -1.26 -3.66 120.64 115.77 2eh0 n GLU 56 Ca 0.23 -3.76 0.00 0.00 -0.42 0.00 0.00 57.16 53.21 2eh0 n GLU 56 Cb 1.15 -1.86 0.00 0.00 -0.57 0.00 0.00 31.44 30.16 2eh0 n GLU 56 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2eh0 n HIS 57 N -0.64 0.00 -4.28 -0.32 -0.00 -0.24 -4.68 115.22 105.06 2eh0 n HIS 57 Ca 0.22 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 58.21 2eh0 n HIS 57 Cb 0.87 -0.41 -0.07 0.00 -0.12 0.00 0.00 29.99 30.26 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 -3.25 0.14 -0.07 0.00 1.01 -1.07 -0.31 121.20 117.65 2eh0 s ILE 59 Ca 0.36 -1.51 0.01 0.00 0.00 0.00 0.00 60.65 59.51 2eh0 s ILE 59 Cb 0.02 -1.59 0.02 0.00 0.01 0.00 0.00 42.46 40.92 2eh0 s ILE 59 CO 0.26 -0.66 -0.06 -0.36 0.00 0.00 0.00 174.94 174.11 2eh0 s PHE 60 N -3.93 1.10 -0.21 3.97 0.40 0.14 -1.07 117.98 118.40 2eh0 s PHE 60 Ca 0.11 -0.42 -0.03 0.00 -0.60 0.00 0.00 56.93 55.98 2eh0 s PHE 60 Cb 0.06 -0.94 -0.00 0.00 0.51 0.00 0.00 43.02 42.64 2eh0 s PHE 60 CO -0.07 -0.32 -0.08 0.50 0.70 0.00 0.00 175.22 175.95 2eh0 s ARG 61 N 1.25 3.31 -0.29 0.44 3.52 0.50 0.16 118.95 127.85 2eh0 s ARG 61 Ca -0.05 -0.66 -0.02 0.00 -0.13 0.00 0.00 55.73 54.87 2eh0 s ARG 61 Cb -0.14 -2.90 0.04 0.00 -1.56 0.00 0.00 34.95 30.39 2eh0 s ARG 61 CO -0.02 -0.16 -0.01 -1.12 -0.81 0.00 0.00 175.30 173.17 2eh0 s SER 62 N 1.34 4.75 0.03 -2.12 0.01 -0.56 -0.25 113.70 116.91 2eh0 s SER 62 Ca 0.04 -1.14 -0.05 0.00 1.31 0.00 0.00 55.95 56.11 2eh0 s SER 62 Cb -0.14 -1.71 -0.01 0.00 0.21 0.00 0.00 66.02 64.37 2eh0 s SER 62 CO -0.04 -0.22 0.09 -0.70 0.41 0.00 0.00 173.24 172.78 2eh0 s GLU 63 N 1.28 0.53 -0.07 12.44 -6.30 -0.19 -3.76 118.70 122.64 2eh0 s GLU 63 Ca -0.03 -0.66 -0.26 0.00 -2.50 0.00 0.00 54.97 51.52 2eh0 s GLU 63 Cb -0.19 0.21 -0.03 0.00 0.00 0.00 0.00 34.13 34.12 2eh0 s GLU 63 CO -0.02 -0.13 0.81 0.50 0.02 0.00 0.00 175.26 176.44 2eh0 s ARG 64 N -2.20 4.44 0.93 4.30 3.52 -1.26 -0.17 118.95 128.51 2eh0 s ARG 64 Ca -0.08 1.07 -0.12 0.00 -0.13 0.00 0.00 55.73 56.46 2eh0 s ARG 64 Cb -0.04 -3.48 0.15 0.00 -1.56 0.00 0.00 34.95 30.02 2eh0 s ARG 64 CO -0.03 -0.05 1.09 0.45 -0.81 0.00 0.00 175.30 175.95 2eh0 s SER 65 N 0.93 3.20 0.63 -2.12 0.15 -0.56 -4.82 113.70 111.11 2eh0 s SER 65 Ca 0.42 1.41 0.31 0.00 0.70 0.00 0.00 55.95 58.78 2eh0 s SER 65 Cb -0.18 -2.08 1.68 0.00 -1.71 0.00 0.00 66.02 63.72 2eh0 s SER 65 CO 0.20 -2.80 2.01 -1.13 1.20 0.00 0.00 173.24 172.72 2eh0 h ASN 66 N -1.66 0.00 0.98 5.45 -0.00 -1.96 0.32 115.58 118.71 2eh0 h ASN 66 Ca -0.51 0.00 -0.15 0.00 -0.00 0.00 0.00 56.30 55.64 2eh0 h ASN 66 Cb 1.30 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 39.59 2eh0 h ASN 66 CO 0.55 0.00 -0.73 -1.28 -0.00 0.00 0.00 177.43 175.97 2eh0 h SER 67 N 0.00 0.00 0.00 1.15 0.87 -2.03 -3.47 113.55 110.07 2eh0 h SER 67 Ca 0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2eh0 h SER 67 Cb 0.68 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 2eh0 h SER 67 CO -0.00 0.73 0.00 0.61 -0.53 0.00 0.00 176.83 177.64 2eh0 n GLY 68 N 0.92 1.65 3.26 5.77 0.00 0.11 -5.11 105.19 111.79 2eh0 n GLY 68 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.22 3.25 -0.24 1.61 -1.05 -1.25 -4.85 118.70 115.94 2eh0 s GLU 69 Ca 0.00 -0.70 -0.28 0.00 -0.15 0.00 0.00 54.97 53.84 2eh0 s GLU 69 Cb 0.00 -2.80 -0.05 0.00 -0.44 0.00 0.00 34.13 30.84 2eh0 s GLU 69 CO 0.00 -0.13 2.22 0.08 0.95 0.00 0.00 175.26 178.38 2eh0 s VAL 70 N 1.23 3.02 0.10 1.83 1.01 -1.26 -1.50 120.40 124.83 2eh0 s VAL 70 Ca 0.03 0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.09 2eh0 s VAL 70 Cb -0.14 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 2eh0 s VAL 70 CO -0.05 -0.02 -0.05 -0.63 0.00 0.00 0.00 175.10 174.35 2eh0 s ILE 71 N 8.55 3.72 -0.01 2.22 1.01 0.77 -4.81 121.20 132.65 2eh0 s ILE 71 Ca 1.00 -1.13 0.08 0.00 0.00 0.00 0.00 60.65 60.60 2eh0 s ILE 71 Cb -0.31 -2.76 -0.02 0.00 0.01 0.00 0.00 42.46 39.37 2eh0 s ILE 71 CO 0.34 0.11 -0.26 -0.69 0.00 0.00 0.00 174.94 174.44 2eh0 s VAL 72 N -1.28 2.09 -0.03 2.92 1.01 -1.26 -1.02 120.40 122.83 2eh0 s VAL 72 Ca 0.24 -1.14 0.02 0.00 0.00 0.00 0.00 61.98 61.10 2eh0 s VAL 72 Cb -0.11 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.54 2eh0 s VAL 72 CO 0.16 0.55 -0.09 -0.89 0.00 0.00 0.00 175.10 174.83 2eh0 s THR 73 N -0.64 0.82 -0.19 3.92 2.01 0.66 -0.40 115.64 121.82 2eh0 s THR 73 Ca 0.10 -0.37 -0.16 0.00 0.31 0.00 0.00 61.69 61.58 2eh0 s THR 73 Cb -0.10 -0.73 -0.04 0.00 0.01 0.00 0.00 72.50 71.64 2eh0 s THR 73 CO -0.01 0.26 0.38 -0.22 -0.69 0.00 0.00 174.62 174.34 2eh0 s LEU 74 N 0.25 4.18 -0.88 4.42 2.96 -0.16 -0.37 118.68 129.07 2eh0 s LEU 74 Ca -0.04 0.53 -0.01 0.00 -0.22 0.00 0.00 54.13 54.38 2eh0 s LEU 74 Cb -0.09 -2.49 0.22 0.00 0.50 0.00 0.00 46.19 44.32 2eh0 s LEU 74 CO 0.01 -0.03 0.76 -1.61 -1.32 0.00 0.00 176.35 174.16 2eh0 s GLU 75 N 1.08 3.22 0.65 1.98 8.01 -0.23 -2.95 118.70 130.47 2eh0 s GLU 75 Ca 0.19 -3.30 -0.15 0.00 0.01 0.00 0.00 54.97 51.71 2eh0 s GLU 75 Cb -0.14 -3.92 -0.01 0.00 -4.31 0.00 0.00 34.13 25.75 2eh0 s GLU 75 CO 0.07 -1.27 1.11 -1.25 0.01 0.00 0.00 175.26 173.94 2eh0 s PRO 76 N -1.39 2.85 0.70 0.39 0.04 -1.26 -2.60 135.00 133.73 2eh0 s PRO 76 Ca 0.27 1.41 0.03 0.00 0.04 0.00 0.00 61.00 62.75 2eh0 s PRO 76 Cb -0.07 -1.96 0.13 0.00 0.04 0.00 0.00 34.50 32.65 2eh0 s PRO 76 CO -0.13 -1.21 0.96 0.00 0.04 0.00 0.00 177.00 176.65 2eh0 n GLU 78 N -2.69 2.06 -0.03 0.00 0.28 -1.26 -4.27 120.64 114.72 2eh0 n GLU 78 Ca 0.17 -1.91 0.02 0.00 -0.16 0.00 0.00 57.16 55.27 2eh0 n GLU 78 Cb 0.61 -1.37 0.03 0.00 1.43 0.00 0.00 31.44 32.15 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 1.01 2.84 -3.30 3.44 1.74 -1.26 -5.04 116.66 116.09 2eh0 n ARG 79 Ca 0.14 -1.68 -0.15 0.00 -0.77 0.00 0.00 57.85 55.39 2eh0 n ARG 79 Cb 0.47 -1.09 -0.04 0.00 -1.02 0.00 0.00 32.46 30.79 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 -0.46 1.86 -3.83 0.55 7.64 -1.26 -5.00 113.62 113.12 2eh0 n SER 80 Ca 0.03 -2.13 -0.30 0.00 1.01 0.00 0.00 58.87 57.48 2eh0 n SER 80 Cb 0.31 0.37 -0.15 0.00 -1.01 0.00 0.00 64.21 63.73 2eh0 n SER 80 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2eh0 s GLU 81 N -2.87 0.98 0.13 1.43 2.56 -1.26 -4.95 118.70 114.72 2eh0 s GLU 81 Ca 0.06 -1.31 0.11 0.00 0.00 0.00 0.00 54.97 53.82 2eh0 s GLU 81 Cb 0.00 -2.39 -0.04 0.00 2.00 0.00 0.00 34.13 33.71 2eh0 s GLU 81 CO 0.04 -0.96 -0.27 0.99 -0.56 0.00 0.00 175.26 174.50 2eh0 s THR 82 N 1.39 2.26 -0.13 -1.70 2.01 -1.26 -2.06 115.64 116.15 2eh0 s THR 82 Ca 0.10 -1.74 -0.07 0.00 0.31 0.00 0.00 61.69 60.29 2eh0 s THR 82 Cb -0.18 -1.99 0.05 0.00 0.01 0.00 0.00 72.50 70.39 2eh0 s THR 82 CO -0.19 0.10 0.32 -0.31 -0.69 0.00 0.00 174.62 173.85 2eh0 s TYR 83 N -1.05 -0.46 -0.03 4.92 2.02 -0.85 -2.86 117.35 119.04 2eh0 s TYR 83 Ca 0.14 1.01 0.04 0.00 -0.37 0.00 0.00 57.07 57.89 2eh0 s TYR 83 Cb -0.10 0.13 -0.00 0.00 -0.40 0.00 0.00 41.96 41.59 2eh0 s TYR 83 CO 0.06 -0.29 -0.15 0.08 -1.57 0.00 0.00 175.55 173.67 2eh0 s VAL 84 N 1.43 1.26 -1.64 0.71 1.01 0.24 -1.12 120.40 122.29 2eh0 s VAL 84 Ca -0.09 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.26 2eh0 s VAL 84 Cb -0.10 -1.08 0.00 0.00 0.00 0.00 0.00 36.38 35.20 2eh0 s VAL 84 CO -0.10 0.37 0.00 0.59 0.00 0.00 0.00 175.10 175.95 2eh0 n ASN 85 N 3.06 -5.06 0.00 3.32 3.02 -0.76 -1.25 115.26 117.59 2eh0 n ASN 85 Ca -0.17 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 2eh0 n ASN 85 Cb 0.54 -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 -0.95 0.90 3.65 7.41 0.00 -1.26 -5.01 105.19 109.94 2eh0 n GLY 86 Ca -0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 2eh0 n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2eh0 s LYS 87 N -0.15 2.02 0.47 1.61 -2.85 -0.38 -5.11 119.74 115.35 2eh0 s LYS 87 Ca 0.00 -2.11 -0.20 0.00 -1.00 0.00 0.00 55.97 52.66 2eh0 s LYS 87 Cb 0.00 -1.67 -0.09 0.00 -2.06 0.00 0.00 37.83 34.01 2eh0 s LYS 87 CO 0.00 -0.09 0.99 0.50 0.10 0.00 0.00 175.35 176.84 2eh0 s ARG 88 N -3.75 4.01 -0.32 1.78 3.52 -1.26 0.82 118.95 123.76 2eh0 s ARG 88 Ca 0.33 1.15 -0.01 0.00 -0.13 0.00 0.00 55.73 57.07 2eh0 s ARG 88 Cb 0.08 -2.14 0.10 0.00 -1.56 0.00 0.00 34.95 31.44 2eh0 s ARG 88 CO 0.17 -0.22 0.12 0.54 -0.81 0.00 0.00 175.30 175.09 2eh0 s VAL 89 N -2.23 0.65 -0.35 7.11 0.11 -1.14 -4.65 120.40 119.90 2eh0 s VAL 89 Ca 0.63 -1.34 0.09 0.00 -2.93 0.00 0.00 61.98 58.43 2eh0 s VAL 89 Cb -0.11 -1.50 -0.11 0.00 -1.53 0.00 0.00 36.38 33.13 2eh0 s VAL 89 CO 0.20 -0.72 0.35 -0.24 -3.33 0.00 0.00 175.10 171.36 2eh0 n SER 90 N 4.82 0.88 -4.59 3.54 2.88 -1.26 -4.58 113.62 115.31 2eh0 n SER 90 Ca -0.02 -0.58 -0.26 0.00 -1.33 0.00 0.00 58.87 56.68 2eh0 n SER 90 Cb 0.41 1.08 -0.09 0.00 -0.75 0.00 0.00 64.21 64.86 2eh0 n SER 90 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2eh0 s GLN 91 N -2.00 2.13 -0.64 -1.46 -2.07 -1.26 -4.70 119.66 109.66 2eh0 s GLN 91 Ca 0.02 -1.30 -0.26 0.00 -1.82 0.00 0.00 55.36 52.00 2eh0 s GLN 91 Cb 0.07 -2.17 -0.02 0.00 -1.09 0.00 0.00 33.01 29.79 2eh0 s GLN 91 CO 0.37 0.42 1.87 -1.25 -1.32 0.00 0.00 175.29 175.39 2eh0 s PRO 92 N -3.02 2.61 0.23 9.60 0.04 -1.26 -4.65 135.00 138.55 2eh0 s PRO 92 Ca 0.27 0.52 0.11 0.00 0.04 0.00 0.00 61.00 61.94 2eh0 s PRO 92 Cb -0.08 -4.46 -0.05 0.00 0.04 0.00 0.00 34.50 29.95 2eh0 s PRO 92 CO 0.16 -2.80 -0.21 0.14 0.04 0.00 0.00 177.00 174.33 2eh0 s VAL 93 N 9.21 2.32 0.34 -0.36 -7.23 -1.15 -4.92 120.40 118.60 2eh0 s VAL 93 Ca 0.68 -2.19 -0.27 0.00 -1.81 0.00 0.00 61.98 58.39 2eh0 s VAL 93 Cb -0.12 -2.16 -0.09 0.00 0.56 0.00 0.00 36.38 34.56 2eh0 s VAL 93 CO 0.18 -0.28 1.10 -1.10 -0.31 0.00 0.00 175.10 174.69 2eh0 s GLN 94 N -3.09 4.36 0.79 4.82 -0.21 -1.26 -0.99 119.66 124.08 2eh0 s GLN 94 Ca 0.24 1.72 -0.06 0.00 0.02 0.00 0.00 55.36 57.28 2eh0 s GLN 94 Cb -0.06 -2.87 0.14 0.00 1.00 0.00 0.00 33.01 31.21 2eh0 s GLN 94 CO 0.11 -0.01 1.09 -0.51 -2.12 0.00 0.00 175.29 173.85 2eh0 s LEU 95 N -2.05 2.88 0.05 2.90 2.01 0.47 -4.87 118.68 120.07 2eh0 s LEU 95 Ca 0.51 -0.03 -0.02 0.00 0.01 0.00 0.00 54.13 54.60 2eh0 s LEU 95 Cb -0.28 -2.29 -0.03 0.00 0.01 0.00 0.00 46.19 43.60 2eh0 s LEU 95 CO 0.36 -2.06 0.00 -0.13 1.01 0.00 0.00 176.35 175.53 2eh0 s ARG 96 N -5.37 0.57 -0.37 1.70 1.81 -1.26 -4.82 118.95 111.20 2eh0 s ARG 96 Ca 0.67 -1.04 -0.28 0.00 -1.72 0.00 0.00 55.73 53.37 2eh0 s ARG 96 Cb -0.06 0.20 0.02 0.00 -0.45 0.00 0.00 34.95 34.66 2eh0 s ARG 96 CO 0.47 -0.12 1.02 -1.54 -0.68 0.00 0.00 175.30 174.45 2eh0 s SER 97 N -2.57 6.76 0.00 0.23 1.04 -1.26 -3.20 113.70 114.70 2eh0 s SER 97 Ca 0.01 0.72 0.00 0.00 0.48 0.00 0.00 55.95 57.16 2eh0 s SER 97 Cb 0.04 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.65 2eh0 s SER 97 CO -0.08 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 173.81 2eh0 n GLY 98 N 4.30 0.66 3.83 7.32 0.00 -0.85 -5.02 105.19 115.44 2eh0 n GLY 98 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.19 6.26 -0.23 1.61 4.22 -1.19 -4.92 114.94 118.50 2eh0 s ASN 99 Ca 0.00 1.63 -0.10 0.00 -2.14 0.00 0.00 52.86 52.25 2eh0 s ASN 99 Cb 0.00 -2.51 -0.05 0.00 1.28 0.00 0.00 41.25 39.97 2eh0 s ASN 99 CO 0.00 -0.84 0.14 -0.13 -2.04 0.00 0.00 177.10 174.23 2eh0 s ARG 100 N -4.25 4.03 -0.16 3.55 3.00 -1.26 -3.57 118.95 120.29 2eh0 s ARG 100 Ca 0.60 -0.30 0.01 0.00 0.00 0.00 0.00 55.73 56.04 2eh0 s ARG 100 Cb -0.12 -3.48 0.02 0.00 0.00 0.00 0.00 34.95 31.38 2eh0 s ARG 100 CO 0.37 0.07 -0.16 0.42 0.00 0.00 0.00 175.30 176.00 2eh0 s ILE 101 N 1.00 1.71 -0.11 1.52 1.01 -0.62 -1.82 121.20 123.88 2eh0 s ILE 101 Ca 0.07 -0.72 -0.02 0.00 0.00 0.00 0.00 60.65 59.98 2eh0 s ILE 101 Cb -0.13 -1.58 -0.03 0.00 0.01 0.00 0.00 42.46 40.72 2eh0 s ILE 101 CO 0.04 0.48 -0.04 -0.63 0.00 0.00 0.00 174.94 174.79 2eh0 s ILE 102 N 1.43 3.96 -0.25 2.92 1.09 -0.28 0.16 121.20 130.23 2eh0 s ILE 102 Ca 0.05 -0.36 -0.02 0.00 -1.10 0.00 0.00 60.65 59.22 2eh0 s ILE 102 Cb -0.13 -2.67 0.08 0.00 -1.06 0.00 0.00 42.46 38.67 2eh0 s ILE 102 CO -0.11 0.56 0.05 -0.04 -0.10 0.00 0.00 174.94 175.30 2eh0 s MET 103 N -0.39 0.79 0.00 2.79 -1.94 -0.49 -2.01 119.30 118.05 2eh0 s MET 103 Ca 0.06 -0.76 0.00 0.00 -1.71 0.00 0.00 55.69 53.28 2eh0 s MET 103 Cb -0.12 -2.10 0.00 0.00 2.01 0.00 0.00 34.83 34.61 2eh0 s MET 103 CO 0.02 -0.78 0.00 0.41 -0.01 0.00 0.00 175.02 174.66 2eh0 n GLY 104 N 4.92 1.26 0.84 -0.03 0.00 -0.87 -4.18 105.19 107.13 2eh0 n GLY 104 Ca -0.07 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.12 2eh0 n GLY 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2eh0 n LYS 105 N 0.00 0.00 -0.16 1.61 4.76 -1.26 -4.85 118.16 118.25 2eh0 n LYS 105 Ca 0.00 0.00 0.06 0.00 -2.87 0.00 0.00 58.31 55.50 2eh0 n LYS 105 Cb 0.00 -0.03 0.08 0.00 -1.84 0.00 0.00 35.03 33.25 2eh0 n LYS 105 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2eh0 n ASN 106 N -2.34 1.64 -4.22 4.39 5.15 -1.26 -4.94 115.26 113.69 2eh0 n ASN 106 Ca 0.00 -2.60 -0.42 0.00 -0.60 0.00 0.00 54.58 50.96 2eh0 n ASN 106 Cb 0.00 -0.30 -0.00 0.00 -0.53 0.00 0.00 39.78 38.94 2eh0 n ASN 106 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 2eh0 n HIS 107 N -0.92 4.08 -3.23 1.20 8.25 -1.26 -4.91 115.22 118.43 2eh0 n HIS 107 Ca 0.10 -2.82 -0.34 0.00 -0.26 0.00 0.00 57.72 54.40 2eh0 n HIS 107 Cb 0.60 -2.58 -0.06 0.00 1.12 0.00 0.00 29.99 29.07 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 4.09 4.74 -0.01 1.59 1.01 -1.26 -1.40 120.40 129.16 2eh0 s VAL 108 Ca 0.52 0.90 -0.06 0.00 0.00 0.00 0.00 61.98 63.34 2eh0 s VAL 108 Cb 0.08 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.77 2eh0 s VAL 108 CO 0.02 0.02 0.12 -0.36 0.00 0.00 0.00 175.10 174.89 2eh0 s PHE 109 N -1.74 0.03 -0.21 5.22 0.40 0.12 -4.15 117.98 117.65 2eh0 s PHE 109 Ca 0.47 -0.07 -0.07 0.00 -0.60 0.00 0.00 56.93 56.66 2eh0 s PHE 109 Cb -0.13 -0.04 -0.03 0.00 0.51 0.00 0.00 43.02 43.32 2eh0 s PHE 109 CO 0.19 -0.23 0.05 0.50 0.70 0.00 0.00 175.22 176.44 2eh0 s ARG 110 N -1.08 3.78 -0.02 0.44 3.52 0.14 -1.59 118.95 124.14 2eh0 s ARG 110 Ca -0.12 -0.43 -0.24 0.00 -0.13 0.00 0.00 55.73 54.82 2eh0 s ARG 110 Cb -0.06 -3.23 -0.04 0.00 -1.56 0.00 0.00 34.95 30.05 2eh0 s ARG 110 CO 0.01 0.05 0.71 0.12 -0.81 0.00 0.00 175.30 175.38 2eh0 s PHE 111 N 0.96 3.64 -0.12 5.12 5.36 -1.23 -0.61 117.98 131.10 2eh0 s PHE 111 Ca 0.03 1.32 0.02 0.00 -0.96 0.00 0.00 56.93 57.34 2eh0 s PHE 111 Cb -0.14 -2.79 0.01 0.00 -0.34 0.00 0.00 43.02 39.77 2eh0 s PHE 111 CO 0.03 0.18 -0.17 -0.80 -1.46 0.00 0.00 175.22 172.99 2eh0 s ASN 112 N 0.39 2.70 -0.96 6.13 -0.87 -0.93 -2.01 114.94 119.40 2eh0 s ASN 112 Ca 0.37 -0.50 -0.03 0.00 -1.57 0.00 0.00 52.86 51.13 2eh0 s ASN 112 Cb -0.19 -1.22 0.24 0.00 -0.02 0.00 0.00 41.25 40.06 2eh0 s ASN 112 CO 0.20 0.03 0.92 1.57 -2.57 0.00 0.00 177.10 177.25 2eh0 n HIS 113 N 4.22 4.34 0.97 2.20 -0.00 -1.26 -3.17 115.22 122.52 2eh0 n HIS 113 Ca -0.19 -3.97 0.06 0.00 0.46 0.00 0.00 57.72 54.07 2eh0 n HIS 113 Cb 0.51 -1.27 0.33 0.00 -0.12 0.00 0.00 29.99 29.45 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 2.25 0.49 -0.06 1.57 -0.04 -1.26 -2.19 135.00 135.76 2eh0 n PRO 114 Ca 0.23 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.67 2eh0 n PRO 114 Cb 0.37 -1.36 -0.01 0.00 -0.04 0.00 0.00 33.50 32.46 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 0.21 0.54 3.07 -1.84 -3.31 114.58 113.25 2eh0 h GLU 115 Ca 0.00 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.54 2eh0 h GLU 115 Cb 0.00 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 27.93 2eh0 h GLU 115 CO 0.00 0.06 -1.44 0.37 -1.40 0.00 0.00 179.01 176.60 2eh0 h GLN 116 N -1.00 0.44 0.00 2.33 5.75 -1.87 -3.22 115.11 117.55 2eh0 h GLN 116 Ca -0.01 -0.75 0.00 0.00 -0.15 0.00 0.00 58.65 57.74 2eh0 h GLN 116 Cb 0.19 0.28 0.00 0.00 1.07 0.00 0.00 27.48 29.02 2eh0 h GLN 116 CO -0.00 1.35 0.00 0.00 -2.65 0.00 0.00 178.83 177.53 2eh0 n ALA 117 N -2.67 1.17 0.06 3.38 0.00 -0.93 -1.22 120.51 120.30 2eh0 n ALA 117 Ca -0.15 -0.01 -0.09 0.00 0.00 0.00 0.00 53.44 53.19 2eh0 n ALA 117 Cb 1.08 -1.04 -0.13 0.00 0.00 0.00 0.00 19.45 19.36 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 0.06 0.00 0.00 0.11 -1.64 -3.24 114.38 109.67 2eh0 h ARG 118 Ca 0.00 -0.10 0.00 0.00 0.10 0.00 0.00 59.98 59.98 2eh0 h ARG 118 Cb 0.04 0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.16 2eh0 h ARG 118 CO 0.00 0.99 0.22 0.00 0.10 0.00 0.00 179.97 181.29 2eh0 h ALA 119 N 0.90 1.22 0.00 0.08 0.00 -1.33 0.22 119.26 120.36 2eh0 h ALA 119 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2eh0 h ALA 119 Cb 1.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.63 2eh0 h ALA 119 CO 0.14 -0.22 0.00 0.39 0.00 0.00 0.00 179.25 179.56 2eh0 n GLU 120 N -2.92 0.16 -0.13 0.00 1.02 -1.22 -1.56 120.64 115.98 2eh0 n GLU 120 Ca -0.02 0.44 -0.19 0.00 -0.02 0.00 0.00 57.16 57.36 2eh0 n GLU 120 Cb 0.28 -1.83 -0.12 0.00 -0.02 0.00 0.00 31.44 29.75 2eh0 n GLU 120 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 2eh0 n ARG 121 N -2.13 0.65 0.05 3.49 1.85 0.78 -4.57 116.66 116.77 2eh0 n ARG 121 Ca 0.02 0.17 -0.13 0.00 -1.00 0.00 0.00 57.85 56.90 2eh0 n ARG 121 Cb 0.18 -1.52 -0.09 0.00 -1.05 0.00 0.00 32.46 29.98 2eh0 n ARG 121 CO 0.00 0.00 0.00 1.05 -0.01 0.00 0.00 177.63 178.67 2eh0 h GLU 122 N -0.10 -0.12 -5.92 2.89 4.11 -1.49 -3.41 114.58 110.53 2eh0 h GLU 122 Ca -0.59 0.01 -0.43 0.00 0.07 0.00 0.00 59.36 58.42 2eh0 h GLU 122 Cb 1.87 0.03 -0.27 0.00 0.50 0.00 0.00 28.75 30.88 2eh0 h GLU 122 CO -0.12 0.20 -0.62 0.36 0.07 0.00 0.00 179.01 178.89 2eh0 n LYS 123 N -5.00 -0.88 -3.58 1.06 2.85 -0.60 -4.33 118.16 107.68 2eh0 n LYS 123 Ca -0.08 0.10 -0.01 0.00 -1.05 0.00 0.00 58.31 57.26 2eh0 n LYS 123 Cb 0.20 -3.39 -0.06 0.00 -0.65 0.00 0.00 35.03 31.12 2eh0 n LYS 123 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2eh0 s THR 124 N -2.56 -0.09 1.00 0.58 2.01 -1.26 -5.05 115.64 110.27 2eh0 s THR 124 Ca 0.57 0.00 -0.13 0.00 0.31 0.00 0.00 61.69 62.44 2eh0 s THR 124 Cb -0.33 -1.00 0.11 0.00 0.01 0.00 0.00 72.50 71.28 2eh0 s THR 124 CO 0.70 0.00 0.58 -1.20 -0.69 0.00 0.00 174.62 174.02 2eh0 n SER 125 N 3.86 -1.52 -3.99 3.53 7.64 -1.26 -4.95 113.62 116.93 2eh0 n SER 125 Ca -0.16 0.20 -0.08 0.00 1.01 0.00 0.00 58.87 59.84 2eh0 n SER 125 Cb 0.56 -1.23 -0.09 0.00 -1.01 0.00 0.00 64.21 62.45 2eh0 n SER 125 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2eh0 s GLY 126 N -2.18 0.37 0.82 0.23 0.00 -1.26 -5.07 107.32 100.22 2eh0 s GLY 126 Ca 0.61 -0.97 -0.11 0.00 0.00 0.00 0.00 44.72 44.25 2eh0 s GLY 126 CO 0.65 -1.07 1.09 2.56 0.00 0.00 0.00 173.10 176.33 2eh0 s PRO 127 N -3.91 1.91 0.00 2.90 0.04 -1.26 -5.04 135.00 129.64 2eh0 s PRO 127 Ca 0.09 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.18 2eh0 s PRO 127 Cb 0.06 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.74 2eh0 s PRO 127 CO -0.08 -1.85 0.00 -1.13 0.04 0.00 0.00 177.00 173.97 2eh0 n SER 128 N -3.65 0.00 -4.59 6.66 3.41 -1.26 -4.89 113.62 109.31 2eh0 n SER 128 Ca 0.08 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.28 2eh0 n SER 128 Cb 0.54 -0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 64.21 2eh0 n SER 128 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2eh0 s SER 129 N -2.49 5.94 0.00 4.04 0.01 -1.26 -5.28 113.70 114.65 2eh0 s SER 129 Ca 0.00 0.79 0.26 0.00 1.31 0.00 0.00 55.95 58.31 2eh0 s SER 129 Cb 0.00 -2.53 1.53 0.00 0.21 0.00 0.00 66.02 65.22 2eh0 s SER 129 CO 0.00 -1.76 1.88 0.61 0.41 0.00 0.00 173.24 174.38