#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 1.86 -3.89 1.61 2.88 -1.26 -5.01 113.62 109.81 2eh0 n SER 2 Ca 0.00 -2.05 -0.14 0.00 -1.33 0.00 0.00 58.87 55.35 2eh0 n SER 2 Cb 0.00 -0.05 -0.15 0.00 -0.75 0.00 0.00 64.21 63.26 2eh0 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2eh0 s SER 3 N -1.13 0.26 0.00 -3.46 0.15 -1.26 -5.12 113.70 103.14 2eh0 s SER 3 Ca 0.04 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.65 2eh0 s SER 3 Cb 0.03 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 2eh0 s SER 3 CO 0.00 0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.05 2eh0 n GLY 4 N 3.24 1.30 3.04 9.45 0.00 -1.26 -5.00 105.19 115.96 2eh0 n GLY 4 Ca -0.15 -2.25 -0.33 0.00 0.00 0.00 0.00 46.02 43.30 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 0.00 4.88 -0.04 1.61 0.01 -1.26 -5.07 113.70 113.83 2eh0 s SER 5 Ca 0.00 -2.23 -0.07 0.00 1.31 0.00 0.00 55.95 54.96 2eh0 s SER 5 Cb 0.00 -1.69 0.01 0.00 0.21 0.00 0.00 66.02 64.55 2eh0 s SER 5 CO 0.00 -0.41 0.18 -0.94 0.41 0.00 0.00 173.24 172.47 2eh0 s SER 6 N 1.04 -0.11 0.05 2.44 1.04 -1.26 -5.16 113.70 111.75 2eh0 s SER 6 Ca 0.11 0.12 -0.12 0.00 0.48 0.00 0.00 55.95 56.54 2eh0 s SER 6 Cb -0.21 0.31 -0.06 0.00 0.10 0.00 0.00 66.02 66.16 2eh0 s SER 6 CO -0.06 -0.21 0.41 -0.83 0.98 0.00 0.00 173.24 173.53 2eh0 s GLY 7 N -0.59 2.41 -0.10 7.32 0.00 -1.26 -4.92 107.32 110.18 2eh0 s GLY 7 Ca -0.07 -0.30 -0.08 0.00 0.00 0.00 0.00 44.72 44.27 2eh0 s GLY 7 CO 0.01 -0.01 0.25 -1.59 0.00 0.00 0.00 173.10 171.76 2eh0 s THR 8 N -1.27 -0.00 0.12 0.90 2.01 -1.26 -4.53 115.64 111.61 2eh0 s THR 8 Ca 0.29 0.01 -0.31 0.00 0.31 0.00 0.00 61.69 62.00 2eh0 s THR 8 Cb -0.15 -0.36 -0.08 0.00 0.01 0.00 0.00 72.50 71.92 2eh0 s THR 8 CO 0.16 0.00 1.36 -2.16 -0.69 0.00 0.00 174.62 173.29 2eh0 s PRO 9 N 0.23 4.34 0.04 4.92 0.04 -1.26 -4.61 135.00 138.70 2eh0 s PRO 9 Ca -0.01 2.04 -0.23 0.00 0.04 0.00 0.00 61.00 62.84 2eh0 s PRO 9 Cb -0.02 -3.25 0.05 0.00 0.04 0.00 0.00 34.50 31.32 2eh0 s PRO 9 CO -0.00 -0.39 0.54 -3.38 0.04 0.00 0.00 177.00 173.81 2eh0 s HIS 10 N 0.94 -0.45 -0.12 0.56 -3.43 -0.97 -0.94 115.29 110.87 2eh0 s HIS 10 Ca 0.63 0.55 -0.08 0.00 -0.80 0.00 0.00 55.06 55.35 2eh0 s HIS 10 Cb -0.36 0.35 -0.04 0.00 -1.43 0.00 0.00 32.58 31.10 2eh0 s HIS 10 CO 0.31 -0.64 0.17 -0.51 -2.00 0.00 0.00 174.74 172.07 2eh0 s LEU 11 N -1.88 4.37 -0.10 5.38 1.43 0.11 -0.19 118.68 127.80 2eh0 s LEU 11 Ca -0.06 0.48 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 2eh0 s LEU 11 Cb -0.01 -2.13 -0.02 0.00 0.03 0.00 0.00 46.19 44.05 2eh0 s LEU 11 CO -0.00 0.36 -0.10 -0.69 0.23 0.00 0.00 176.35 176.14 2eh0 s VAL 12 N -0.77 3.42 -1.31 -1.59 1.01 0.28 -0.55 120.40 120.89 2eh0 s VAL 12 Ca 0.15 -0.56 -0.18 0.00 0.00 0.00 0.00 61.98 61.39 2eh0 s VAL 12 Cb -0.12 -2.42 0.04 0.00 0.00 0.00 0.00 36.38 33.88 2eh0 s VAL 12 CO 0.04 0.56 1.87 -3.20 0.00 0.00 0.00 175.10 174.37 2eh0 n ASN 13 N 2.86 4.47 0.00 3.32 2.85 -0.50 -0.81 115.26 127.45 2eh0 n ASN 13 Ca -0.18 -2.88 0.06 0.00 -0.11 0.00 0.00 54.58 51.48 2eh0 n ASN 13 Cb 0.53 -1.71 0.37 0.00 1.24 0.00 0.00 39.78 40.20 2eh0 n ASN 13 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2eh0 n LEU 14 N 8.35 0.00 -4.11 1.20 -0.00 -1.26 -4.88 117.00 116.31 2eh0 n LEU 14 Ca 0.49 0.00 -0.23 0.00 -0.00 0.00 0.00 56.01 56.27 2eh0 n LEU 14 Cb 0.44 0.00 0.18 0.00 -0.00 0.00 0.00 43.42 44.04 2eh0 n LEU 14 CO 0.80 0.00 -0.04 0.59 -0.00 0.00 0.00 177.39 178.74 2eh0 n ASN 15 N -0.71 -3.03 -0.06 1.45 3.02 -1.26 -4.96 115.26 109.70 2eh0 n ASN 15 Ca 0.09 -0.40 -0.02 0.00 -0.03 0.00 0.00 54.58 54.22 2eh0 n ASN 15 Cb 0.04 -0.85 -0.13 0.00 -0.61 0.00 0.00 39.78 38.23 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 -2.51 1.02 -0.95 3.52 0.28 -1.26 -4.95 120.64 115.79 2eh0 n GLU 16 Ca 0.06 -0.06 -0.21 0.00 -0.16 0.00 0.00 57.16 56.78 2eh0 n GLU 16 Cb 0.45 -1.43 -0.11 0.00 1.43 0.00 0.00 31.44 31.78 2eh0 n GLU 16 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2eh0 n ASP 17 N -2.44 -0.26 0.00 -1.84 2.03 -1.26 -4.66 116.55 108.12 2eh0 n ASP 17 Ca -0.19 -0.07 0.06 0.00 0.52 0.00 0.00 54.79 55.11 2eh0 n ASP 17 Cb 0.84 -0.48 0.34 0.00 -0.72 0.00 0.00 41.12 41.10 2eh0 n ASP 17 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2eh0 n PRO 18 N 4.63 0.49 -0.00 -0.67 -0.04 -1.26 -1.90 135.00 136.25 2eh0 n PRO 18 Ca 0.42 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.90 2eh0 n PRO 18 Cb 0.05 -1.37 -0.03 0.00 -0.04 0.00 0.00 33.50 32.11 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 -0.87 0.13 -4.54 1.53 4.77 -1.26 -5.03 117.00 111.73 2eh0 n LEU 19 Ca 0.09 -0.35 -0.64 0.00 -0.03 0.00 0.00 56.01 55.08 2eh0 n LEU 19 Cb 0.04 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.04 2eh0 n LEU 19 CO 0.06 0.03 1.02 1.15 -1.33 0.00 0.00 177.39 178.33 2eh0 n MET 20 N -1.26 0.00 0.00 3.23 0.00 -0.80 -4.82 117.12 113.48 2eh0 n MET 20 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 57.70 57.72 2eh0 n MET 20 Cb 0.08 -1.44 0.00 0.00 0.00 0.00 0.00 33.22 31.85 2eh0 n MET 20 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 2eh0 n SER 21 N 3.48 0.91 -3.40 3.17 3.41 -1.26 -5.04 113.62 114.89 2eh0 n SER 21 Ca 0.28 -0.96 -0.26 0.00 -0.26 0.00 0.00 58.87 57.68 2eh0 n SER 21 Cb -0.04 0.38 0.22 0.00 -0.26 0.00 0.00 64.21 64.52 2eh0 n SER 21 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2eh0 n GLU 22 N -0.27 -3.01 -1.67 4.33 1.02 -1.26 -4.89 120.64 114.90 2eh0 n GLU 22 Ca 0.02 -1.50 -0.43 0.00 -0.02 0.00 0.00 57.16 55.23 2eh0 n GLU 22 Cb 0.09 -1.44 -0.03 0.00 -0.02 0.00 0.00 31.44 30.04 2eh0 n GLU 22 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2eh0 h LEU 24 N 10.20 -0.35 -8.14 0.00 -0.00 -1.97 -3.44 115.31 111.62 2eh0 h LEU 24 Ca -0.49 0.19 -0.12 0.00 -0.00 0.00 0.00 57.88 57.46 2eh0 h LEU 24 Cb 1.24 0.34 -0.14 0.00 -0.00 0.00 0.00 40.66 42.10 2eh0 h LEU 24 CO 0.94 -0.18 -0.52 -1.48 -0.00 0.00 0.00 178.44 177.20 2eh0 s LEU 25 N -10.79 1.74 -0.08 1.67 0.05 -1.26 -1.41 118.68 108.59 2eh0 s LEU 25 Ca -0.13 -0.93 0.02 0.00 0.05 0.00 0.00 54.13 53.14 2eh0 s LEU 25 Cb 0.22 0.64 0.01 0.00 -2.05 0.00 0.00 46.19 45.01 2eh0 s LEU 25 CO 0.75 -0.72 -0.15 -0.31 -0.55 0.00 0.00 176.35 175.37 2eh0 s TYR 26 N -3.94 1.76 -0.26 3.48 1.51 0.28 -4.97 117.35 115.21 2eh0 s TYR 26 Ca 0.12 -0.72 -0.19 0.00 -1.01 0.00 0.00 57.07 55.27 2eh0 s TYR 26 Cb 0.06 -1.26 -0.02 0.00 -0.11 0.00 0.00 41.96 40.63 2eh0 s TYR 26 CO -0.06 -0.35 0.59 0.71 -1.11 0.00 0.00 175.55 175.33 2eh0 s TYR 27 N 0.71 3.27 -0.17 2.71 2.02 -1.26 0.05 117.35 124.68 2eh0 s TYR 27 Ca -0.13 0.74 -0.17 0.00 -0.37 0.00 0.00 57.07 57.14 2eh0 s TYR 27 Cb -0.16 -2.81 -0.04 0.00 -0.40 0.00 0.00 41.96 38.55 2eh0 s TYR 27 CO 0.03 -0.32 0.45 0.42 -1.57 0.00 0.00 175.55 174.57 2eh0 s ILE 28 N 2.44 5.18 0.72 2.71 1.01 -0.12 -4.98 121.20 128.17 2eh0 s ILE 28 Ca 0.24 0.86 -0.05 0.00 0.00 0.00 0.00 60.65 61.70 2eh0 s ILE 28 Cb -0.15 -3.79 0.10 0.00 0.01 0.00 0.00 42.46 38.62 2eh0 s ILE 28 CO 0.09 0.27 1.02 -1.59 0.00 0.00 0.00 174.94 174.73 2eh0 s LYS 29 N 1.07 1.87 -1.13 2.79 0.00 -1.26 -4.39 119.74 118.69 2eh0 s LYS 29 Ca 0.23 -0.60 -0.22 0.00 0.00 0.00 0.00 55.97 55.38 2eh0 s LYS 29 Cb -0.15 -2.21 -0.04 0.00 0.00 0.00 0.00 37.83 35.42 2eh0 s LYS 29 CO 0.09 -1.40 1.87 -0.51 0.00 0.00 0.00 175.35 175.40 2eh0 s ASP 30 N -4.62 5.45 0.00 0.03 1.11 -1.26 -4.60 116.67 112.77 2eh0 s ASP 30 Ca 0.63 -1.55 0.00 0.00 0.18 0.00 0.00 52.55 51.81 2eh0 s ASP 30 Cb -0.08 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.33 2eh0 s ASP 30 CO 0.45 -2.59 0.00 0.61 1.18 0.00 0.00 175.17 174.82 2eh0 n GLY 31 N 6.05 0.66 2.88 0.21 0.00 -1.21 -4.97 105.19 108.82 2eh0 n GLY 31 Ca 0.44 0.36 -0.28 0.00 0.00 0.00 0.00 46.02 46.54 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 2.09 1.02 -0.60 -0.61 -1.09 -1.26 -1.59 121.20 119.17 2eh0 s ILE 32 Ca 0.00 -0.50 -0.10 0.00 -2.23 0.00 0.00 60.65 57.82 2eh0 s ILE 32 Cb 0.00 -1.18 0.15 0.00 -1.58 0.00 0.00 42.46 39.86 2eh0 s ILE 32 CO 0.00 0.18 0.49 -0.89 -1.23 0.00 0.00 174.94 173.49 2eh0 s THR 33 N 1.68 4.58 -0.18 2.92 2.01 0.04 -4.94 115.64 121.76 2eh0 s THR 33 Ca 0.02 -2.17 -0.29 0.00 0.31 0.00 0.00 61.69 59.55 2eh0 s THR 33 Cb -0.15 -3.95 -0.02 0.00 0.01 0.00 0.00 72.50 68.40 2eh0 s THR 33 CO -0.08 -0.87 1.44 -0.13 -0.69 0.00 0.00 174.62 174.29 2eh0 s ARG 34 N 0.79 4.07 -0.36 4.92 0.52 -1.26 -1.36 118.95 126.26 2eh0 s ARG 34 Ca 0.11 1.71 -0.14 0.00 -0.52 0.00 0.00 55.73 56.88 2eh0 s ARG 34 Cb -0.21 -3.89 -0.00 0.00 0.52 0.00 0.00 34.95 31.36 2eh0 s ARG 34 CO -0.03 -0.94 0.31 0.08 0.02 0.00 0.00 175.30 174.74 2eh0 s VAL 35 N 4.16 5.22 0.00 3.52 1.01 0.72 -2.26 120.40 132.77 2eh0 s VAL 35 Ca 0.63 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.38 2eh0 s VAL 35 Cb -0.24 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.32 2eh0 s VAL 35 CO 0.23 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.80 2eh0 n GLY 36 N 5.07 2.04 3.41 4.51 0.00 -1.10 -1.52 105.19 117.60 2eh0 n GLY 36 Ca -0.11 0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 3.65 1.59 0.43 1.61 -0.21 -1.14 -3.15 119.66 122.44 2eh0 s GLN 37 Ca 0.00 -1.25 0.15 0.00 0.02 0.00 0.00 55.36 54.28 2eh0 s GLN 37 Cb 0.00 -1.98 0.96 0.00 1.00 0.00 0.00 33.01 32.99 2eh0 s GLN 37 CO 0.00 0.47 1.95 0.00 -2.12 0.00 0.00 175.29 175.59 2eh0 h ALA 38 N 4.00 1.57 0.00 6.09 0.00 -1.91 -1.85 119.26 127.16 2eh0 h ALA 38 Ca -0.50 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.17 2eh0 h ALA 38 Cb 1.17 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2eh0 h ALA 38 CO 0.42 0.29 -0.17 -0.44 0.00 0.00 0.00 179.25 179.34 2eh0 h ASP 39 N 0.00 0.00 -1.58 0.00 3.32 -1.95 -3.44 116.42 112.77 2eh0 h ASP 39 Ca -0.00 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.41 2eh0 h ASP 39 Cb 0.42 0.00 0.13 0.00 0.22 0.00 0.00 39.33 40.09 2eh0 h ASP 39 CO 0.03 0.17 -0.50 0.00 -1.72 0.00 0.00 179.24 177.22 2eh0 n ALA 40 N -2.16 -2.28 -0.30 3.45 0.00 -0.70 -4.78 120.51 113.74 2eh0 n ALA 40 Ca 0.02 0.32 -0.05 0.00 0.00 0.00 0.00 53.44 53.73 2eh0 n ALA 40 Cb 0.50 -1.67 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 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 0.96 -0.26 -3.51 0.00 -0.58 -1.26 -4.21 120.64 111.78 2eh0 n GLU 41 Ca 0.14 1.13 -0.36 0.00 -0.42 0.00 0.00 57.16 57.65 2eh0 n GLU 41 Cb 0.32 -1.67 -0.06 0.00 -0.57 0.00 0.00 31.44 29.46 2eh0 n GLU 41 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2eh0 s ARG 42 N -5.52 3.86 -0.34 3.49 1.81 -1.26 -5.00 118.95 115.98 2eh0 s ARG 42 Ca -0.10 0.32 -0.28 0.00 -1.72 0.00 0.00 55.73 53.96 2eh0 s ARG 42 Cb 0.11 -3.09 -0.04 0.00 -0.45 0.00 0.00 34.95 31.48 2eh0 s ARG 42 CO 0.49 0.61 2.13 0.50 -0.68 0.00 0.00 175.30 178.36 2eh0 s ARG 43 N -1.54 2.89 0.18 3.54 3.52 -1.26 -4.92 118.95 121.35 2eh0 s ARG 43 Ca 0.29 1.62 -0.30 0.00 -0.13 0.00 0.00 55.73 57.22 2eh0 s ARG 43 Cb -0.15 -4.38 -0.08 0.00 -1.56 0.00 0.00 34.95 28.78 2eh0 s ARG 43 CO 0.16 -2.38 1.09 -0.65 -0.81 0.00 0.00 175.30 172.72 2eh0 s GLN 44 N 6.70 4.60 0.06 5.12 -1.52 -1.26 -4.96 119.66 128.39 2eh0 s GLN 44 Ca 0.92 1.71 -0.28 0.00 -1.95 0.00 0.00 55.36 55.76 2eh0 s GLN 44 Cb -0.25 -3.28 -0.17 0.00 -0.22 0.00 0.00 33.01 29.09 2eh0 s GLN 44 CO 0.31 0.09 1.53 0.22 -0.25 0.00 0.00 175.29 177.20 2eh0 h ASP 45 N 5.06 -0.44 -3.54 5.90 1.82 -1.80 -3.42 116.42 120.01 2eh0 h ASP 45 Ca -0.44 -0.05 -0.64 0.00 -0.39 0.00 0.00 57.03 55.51 2eh0 h ASP 45 Cb 1.21 0.11 -0.20 0.00 0.68 0.00 0.00 39.33 41.13 2eh0 h ASP 45 CO 0.72 -0.22 -0.61 -0.63 -1.61 0.00 0.00 179.24 176.89 2eh0 s ILE 46 N -5.65 4.46 -0.15 2.25 1.01 -1.19 -5.04 121.20 116.90 2eh0 s ILE 46 Ca -0.15 -0.13 -0.04 0.00 0.00 0.00 0.00 60.65 60.32 2eh0 s ILE 46 Cb 0.04 -3.06 -0.03 0.00 0.01 0.00 0.00 42.46 39.42 2eh0 s ILE 46 CO 0.61 0.38 -0.01 -0.69 0.00 0.00 0.00 174.94 175.23 2eh0 s VAL 47 N 1.18 4.20 0.54 2.92 1.01 -1.26 -2.72 120.40 126.27 2eh0 s VAL 47 Ca 0.04 -0.26 0.08 0.00 0.00 0.00 0.00 61.98 61.85 2eh0 s VAL 47 Cb -0.14 -2.84 0.06 0.00 0.00 0.00 0.00 36.38 33.46 2eh0 s VAL 47 CO 0.03 0.51 0.64 -0.76 0.00 0.00 0.00 175.10 175.52 2eh0 s LEU 48 N 0.09 3.04 0.24 3.92 2.01 -1.19 -4.98 118.68 121.83 2eh0 s LEU 48 Ca 0.01 -0.93 0.09 0.00 0.01 0.00 0.00 54.13 53.32 2eh0 s LEU 48 Cb -0.13 -1.60 -0.04 0.00 0.01 0.00 0.00 46.19 44.42 2eh0 s LEU 48 CO 0.02 -1.19 -0.02 -0.44 1.01 0.00 0.00 176.35 175.73 2eh0 s SER 49 N -4.50 4.51 0.00 2.29 0.01 -1.26 -4.93 113.70 109.82 2eh0 s SER 49 Ca 0.52 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 57.17 2eh0 s SER 49 Cb -0.05 -0.84 0.00 0.00 0.21 0.00 0.00 66.02 65.35 2eh0 s SER 49 CO 0.33 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.61 2eh0 n GLY 50 N -0.67 1.69 0.82 3.44 0.00 -1.26 -4.69 105.19 104.53 2eh0 n GLY 50 Ca -0.07 -2.03 0.11 0.00 0.00 0.00 0.00 46.02 44.03 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 1.27 2.65 0.59 4.61 0.00 -1.26 -4.16 120.51 124.21 2eh0 n ALA 51 Ca 0.00 -0.67 0.12 0.00 0.00 0.00 0.00 53.44 52.89 2eh0 n ALA 51 Cb 0.00 -0.76 0.18 0.00 0.00 0.00 0.00 19.45 18.87 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 1.03 0.54 -1.74 0.00 8.25 -1.26 -4.91 115.22 117.13 2eh0 n HIS 52 Ca 0.12 0.16 -0.34 0.00 -0.26 0.00 0.00 57.72 57.41 2eh0 n HIS 52 Cb 0.54 -0.65 0.05 0.00 1.12 0.00 0.00 29.99 31.05 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 -3.16 3.00 0.20 1.59 -1.09 -1.26 -4.86 121.20 115.62 2eh0 s ILE 53 Ca 0.07 0.49 0.11 0.00 -2.23 0.00 0.00 60.65 59.09 2eh0 s ILE 53 Cb 0.13 -3.03 -0.04 0.00 -1.58 0.00 0.00 42.46 37.94 2eh0 s ILE 53 CO 0.72 -0.26 -0.20 -0.54 -1.23 0.00 0.00 174.94 173.42 2eh0 s LYS 54 N -3.94 1.66 0.30 2.79 -0.14 -1.26 -4.96 119.74 114.18 2eh0 s LYS 54 Ca 0.70 -1.48 -0.00 0.00 -1.36 0.00 0.00 55.97 53.82 2eh0 s LYS 54 Cb -0.23 -1.92 0.50 0.00 -1.68 0.00 0.00 37.83 34.50 2eh0 s LYS 54 CO 0.40 0.40 1.92 0.93 -0.76 0.00 0.00 175.35 178.25 2eh0 h GLU 55 N 3.06 1.04 -0.47 1.68 3.07 -1.90 -2.71 114.58 118.36 2eh0 h GLU 55 Ca -0.46 -0.06 -0.34 0.00 -0.50 0.00 0.00 59.36 58.00 2eh0 h GLU 55 Cb 1.21 -0.23 -0.28 0.00 -0.84 0.00 0.00 28.75 28.61 2eh0 h GLU 55 CO 0.50 0.69 -0.73 0.39 -1.40 0.00 0.00 179.01 178.46 2eh0 n GLU 56 N -4.47 2.77 -0.05 2.33 1.02 -1.26 -3.51 120.64 117.47 2eh0 n GLU 56 Ca 0.13 -3.80 -0.01 0.00 -0.02 0.00 0.00 57.16 53.45 2eh0 n GLU 56 Cb 0.16 -1.98 -0.01 0.00 -0.02 0.00 0.00 31.44 29.59 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 -0.82 -0.06 -3.84 -0.32 -0.00 -1.03 -4.55 115.22 104.61 2eh0 n HIS 57 Ca 0.33 0.16 -0.08 0.00 0.46 0.00 0.00 57.72 58.59 2eh0 n HIS 57 Cb 0.87 -0.44 -0.02 0.00 -0.12 0.00 0.00 29.99 30.29 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 -2.64 0.05 -0.21 0.00 1.01 -1.15 -0.20 121.20 118.06 2eh0 s ILE 59 Ca 0.16 -1.24 -0.04 0.00 0.00 0.00 0.00 60.65 59.53 2eh0 s ILE 59 Cb -0.01 -1.81 0.07 0.00 0.01 0.00 0.00 42.46 40.73 2eh0 s ILE 59 CO 0.11 -0.23 0.09 -0.36 0.00 0.00 0.00 174.94 174.55 2eh0 s PHE 60 N -3.95 0.54 -0.34 3.97 0.08 -0.47 -2.36 117.98 115.45 2eh0 s PHE 60 Ca 0.16 -0.68 -0.11 0.00 0.12 0.00 0.00 56.93 56.41 2eh0 s PHE 60 Cb 0.02 -0.90 -0.00 0.00 -0.57 0.00 0.00 43.02 41.57 2eh0 s PHE 60 CO 0.00 -0.64 0.20 0.50 -0.10 0.00 0.00 175.22 175.19 2eh0 s ARG 61 N 2.02 3.30 -0.38 0.44 3.52 -0.57 -0.78 118.95 126.50 2eh0 s ARG 61 Ca 0.04 -0.76 -0.12 0.00 -0.13 0.00 0.00 55.73 54.76 2eh0 s ARG 61 Cb -0.16 -3.71 0.02 0.00 -1.56 0.00 0.00 34.95 29.54 2eh0 s ARG 61 CO -0.17 -0.49 0.22 0.45 -0.81 0.00 0.00 175.30 174.51 2eh0 s SER 62 N 1.65 5.80 -0.00 -2.12 0.15 -0.62 -0.70 113.70 117.86 2eh0 s SER 62 Ca 0.05 -0.94 0.03 0.00 0.70 0.00 0.00 55.95 55.79 2eh0 s SER 62 Cb -0.18 -2.05 -0.01 0.00 -1.71 0.00 0.00 66.02 62.08 2eh0 s SER 62 CO 0.08 -0.38 -0.10 -0.70 1.20 0.00 0.00 173.24 173.34 2eh0 s GLU 63 N 1.58 0.83 -0.48 5.44 2.56 0.77 -3.30 118.70 126.09 2eh0 s GLU 63 Ca 0.03 -0.39 -0.27 0.00 0.00 0.00 0.00 54.97 54.33 2eh0 s GLU 63 Cb -0.19 -0.80 0.03 0.00 2.00 0.00 0.00 34.13 35.17 2eh0 s GLU 63 CO 0.07 0.22 1.06 0.50 -0.56 0.00 0.00 175.26 176.55 2eh0 s ARG 64 N -0.30 3.62 1.09 4.30 3.52 -1.26 -0.84 118.95 129.07 2eh0 s ARG 64 Ca 0.04 0.36 -0.20 0.00 -0.13 0.00 0.00 55.73 55.80 2eh0 s ARG 64 Cb -0.04 -3.93 0.06 0.00 -1.56 0.00 0.00 34.95 29.48 2eh0 s ARG 64 CO -0.00 -1.35 -0.24 0.45 -0.81 0.00 0.00 175.30 173.35 2eh0 n SER 65 N 7.63 -2.56 0.23 -2.12 2.88 0.87 -4.68 113.62 115.87 2eh0 n SER 65 Ca 0.09 -0.15 0.16 0.00 -1.33 0.00 0.00 58.87 57.64 2eh0 n SER 65 Cb 0.49 -0.85 0.79 0.00 -0.75 0.00 0.00 64.21 63.89 2eh0 n SER 65 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2eh0 h ASN 66 N -1.98 0.00 1.36 -3.46 7.08 -1.95 -0.33 115.58 116.30 2eh0 h ASN 66 Ca -0.48 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.74 2eh0 h ASN 66 Cb 1.29 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.53 2eh0 h ASN 66 CO 0.33 0.00 -0.13 -0.24 -2.08 0.00 0.00 177.43 175.31 2eh0 n SER 67 N -2.64 0.81 0.00 6.14 2.88 -1.26 -4.91 113.62 114.63 2eh0 n SER 67 Ca -0.01 0.49 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 2eh0 n SER 67 Cb 0.12 -0.61 0.00 0.00 -0.75 0.00 0.00 64.21 62.98 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 1.31 0.94 3.67 0.46 0.00 -0.13 -5.08 105.19 106.35 2eh0 n GLY 68 Ca 0.05 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.55 3.86 -0.47 1.61 -1.05 -1.25 -4.85 118.70 115.99 2eh0 s GLU 69 Ca 0.00 -0.32 -0.28 0.00 -0.15 0.00 0.00 54.97 54.22 2eh0 s GLU 69 Cb 0.00 -3.19 0.01 0.00 -0.44 0.00 0.00 34.13 30.51 2eh0 s GLU 69 CO 0.00 0.36 1.42 0.08 0.95 0.00 0.00 175.26 178.07 2eh0 s VAL 70 N 0.12 3.85 0.08 1.83 1.01 -1.26 -0.09 120.40 125.93 2eh0 s VAL 70 Ca 0.05 0.82 0.05 0.00 0.00 0.00 0.00 61.98 62.90 2eh0 s VAL 70 Cb -0.12 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 2eh0 s VAL 70 CO 0.00 -0.92 -0.06 -0.63 0.00 0.00 0.00 175.10 173.50 2eh0 s ILE 71 N 5.74 3.66 -0.03 2.22 1.01 -0.02 -4.93 121.20 128.84 2eh0 s ILE 71 Ca 0.58 -1.06 0.07 0.00 0.00 0.00 0.00 60.65 60.24 2eh0 s ILE 71 Cb -0.12 -2.70 -0.02 0.00 0.01 0.00 0.00 42.46 39.64 2eh0 s ILE 71 CO 0.30 0.18 -0.24 -0.69 0.00 0.00 0.00 174.94 174.48 2eh0 s VAL 72 N -1.20 1.96 -0.05 2.92 1.01 -1.26 -0.17 120.40 123.61 2eh0 s VAL 72 Ca 0.22 -1.04 0.06 0.00 0.00 0.00 0.00 61.98 61.22 2eh0 s VAL 72 Cb -0.11 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 2eh0 s VAL 72 CO 0.14 0.55 -0.24 -0.89 0.00 0.00 0.00 175.10 174.66 2eh0 s THR 73 N -0.41 1.99 -0.24 3.92 2.01 0.13 -0.27 115.64 122.76 2eh0 s THR 73 Ca 0.04 -1.03 -0.15 0.00 0.31 0.00 0.00 61.69 60.86 2eh0 s THR 73 Cb -0.11 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 2eh0 s THR 73 CO 0.01 0.55 0.36 -0.22 -0.69 0.00 0.00 174.62 174.64 2eh0 s LEU 74 N -0.18 4.08 -0.95 4.42 2.96 0.11 -1.52 118.68 127.61 2eh0 s LEU 74 Ca -0.03 0.35 -0.04 0.00 -0.22 0.00 0.00 54.13 54.19 2eh0 s LEU 74 Cb -0.13 -2.43 0.24 0.00 0.50 0.00 0.00 46.19 44.36 2eh0 s LEU 74 CO 0.03 -0.13 0.87 -1.61 -1.32 0.00 0.00 176.35 174.19 2eh0 s GLU 75 N 1.74 3.53 0.81 1.98 2.02 -1.00 -3.20 118.70 124.58 2eh0 s GLU 75 Ca 0.16 -3.25 -0.11 0.00 0.02 0.00 0.00 54.97 51.79 2eh0 s GLU 75 Cb -0.15 -4.12 0.08 0.00 0.10 0.00 0.00 34.13 30.03 2eh0 s GLU 75 CO 0.09 -1.26 1.09 -1.25 0.02 0.00 0.00 175.26 173.95 2eh0 s PRO 76 N -1.30 1.98 0.57 0.39 0.04 -1.26 -2.92 135.00 132.50 2eh0 s PRO 76 Ca 0.28 1.08 0.06 0.00 0.04 0.00 0.00 61.00 62.46 2eh0 s PRO 76 Cb -0.08 -1.87 0.06 0.00 0.04 0.00 0.00 34.50 32.65 2eh0 s PRO 76 CO -0.11 -1.81 0.50 0.00 0.04 0.00 0.00 177.00 175.62 2eh0 n GLU 78 N -1.91 0.85 -1.40 0.00 0.28 -1.26 -4.36 120.64 112.84 2eh0 n GLU 78 Ca 0.01 -0.01 -0.22 0.00 -0.16 0.00 0.00 57.16 56.78 2eh0 n GLU 78 Cb 0.64 -1.38 0.10 0.00 1.43 0.00 0.00 31.44 32.23 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 -1.49 2.71 -3.51 3.44 5.12 -1.26 -4.98 116.66 116.69 2eh0 n ARG 79 Ca 0.03 -3.52 -0.11 0.00 -1.93 0.00 0.00 57.85 52.32 2eh0 n ARG 79 Cb 0.30 -2.15 -0.02 0.00 -1.16 0.00 0.00 32.46 29.43 2eh0 n ARG 79 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2eh0 s SER 80 N -2.54 -0.49 -0.36 0.55 0.01 -1.26 -4.92 113.70 104.69 2eh0 s SER 80 Ca 0.54 -0.13 -0.16 0.00 1.31 0.00 0.00 55.95 57.52 2eh0 s SER 80 Cb 0.45 0.60 -0.00 0.00 0.21 0.00 0.00 66.02 67.28 2eh0 s SER 80 CO 0.02 -1.01 0.37 -0.70 0.41 0.00 0.00 173.24 172.33 2eh0 s GLU 81 N -3.78 3.46 0.02 12.44 -6.30 -1.26 -4.84 118.70 118.44 2eh0 s GLU 81 Ca 0.03 -0.50 0.02 0.00 -2.50 0.00 0.00 54.97 52.02 2eh0 s GLU 81 Cb -0.01 -3.84 -0.02 0.00 0.00 0.00 0.00 34.13 30.26 2eh0 s GLU 81 CO -0.10 -0.59 -0.08 0.99 0.02 0.00 0.00 175.26 175.50 2eh0 s THR 82 N 2.03 0.59 -0.11 -1.70 2.01 -1.26 -0.64 115.64 116.55 2eh0 s THR 82 Ca 0.12 -0.74 -0.12 0.00 0.31 0.00 0.00 61.69 61.26 2eh0 s THR 82 Cb -0.17 -0.57 0.03 0.00 0.01 0.00 0.00 72.50 71.80 2eh0 s THR 82 CO 0.12 -0.13 0.34 -0.31 -0.69 0.00 0.00 174.62 173.95 2eh0 s TYR 83 N -0.81 -0.35 -0.02 4.92 2.02 -0.79 -3.54 117.35 118.79 2eh0 s TYR 83 Ca -0.03 0.83 -0.01 0.00 -0.37 0.00 0.00 57.07 57.49 2eh0 s TYR 83 Cb -0.07 0.12 0.01 0.00 -0.40 0.00 0.00 41.96 41.63 2eh0 s TYR 83 CO 0.00 -0.21 0.04 0.08 -1.57 0.00 0.00 175.55 173.89 2eh0 s VAL 84 N -0.03 -0.02 -1.89 0.71 1.01 0.46 -0.80 120.40 119.84 2eh0 s VAL 84 Ca -0.02 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2eh0 s VAL 84 Cb -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 36.38 36.28 2eh0 s VAL 84 CO 0.01 0.04 0.00 0.59 0.00 0.00 0.00 175.10 175.74 2eh0 n ASN 85 N 3.53 -5.58 0.00 3.32 5.03 -0.98 -0.86 115.26 119.72 2eh0 n ASN 85 Ca -0.18 0.20 0.00 0.00 0.87 0.00 0.00 54.58 55.46 2eh0 n ASN 85 Cb 0.56 -4.71 0.00 0.00 -1.02 0.00 0.00 39.78 34.61 2eh0 n ASN 85 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2eh0 n GLY 86 N -0.81 0.69 3.49 7.41 0.00 -1.26 -5.01 105.19 109.71 2eh0 n GLY 86 Ca -0.22 0.00 -0.24 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 -0.16 1.72 0.29 1.61 -2.85 -0.04 -5.11 119.74 115.19 2eh0 s LYS 87 Ca 0.00 -1.84 -0.29 0.00 -1.00 0.00 0.00 55.97 52.84 2eh0 s LYS 87 Cb 0.00 -1.65 -0.10 0.00 -2.06 0.00 0.00 37.83 34.02 2eh0 s LYS 87 CO 0.00 0.21 1.31 0.50 0.10 0.00 0.00 175.35 177.47 2eh0 s ARG 88 N -3.58 4.37 -0.40 1.78 6.06 -1.26 -0.41 118.95 125.51 2eh0 s ARG 88 Ca 0.31 2.16 0.04 0.00 -2.50 0.00 0.00 55.73 55.74 2eh0 s ARG 88 Cb -0.01 -3.11 0.11 0.00 0.06 0.00 0.00 34.95 32.00 2eh0 s ARG 88 CO 0.15 -0.20 0.12 0.54 -2.50 0.00 0.00 175.30 173.41 2eh0 s VAL 89 N -0.72 2.32 -0.03 7.11 0.11 -1.23 -4.76 120.40 123.19 2eh0 s VAL 89 Ca 0.52 -2.65 0.08 0.00 -2.93 0.00 0.00 61.98 57.00 2eh0 s VAL 89 Cb -0.39 -2.68 -0.12 0.00 -1.53 0.00 0.00 36.38 31.66 2eh0 s VAL 89 CO 0.48 -0.67 0.14 -0.24 -3.33 0.00 0.00 175.10 171.48 2eh0 n SER 90 N 3.88 3.04 -4.78 3.54 2.88 -1.26 -4.59 113.62 116.32 2eh0 n SER 90 Ca 0.04 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.32 2eh0 n SER 90 Cb 0.39 1.19 -0.06 0.00 -0.75 0.00 0.00 64.21 64.98 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 -2.48 2.84 -0.64 -1.46 -2.07 -1.26 -4.66 119.66 109.93 2eh0 s GLN 91 Ca -0.03 -0.90 -0.26 0.00 -1.82 0.00 0.00 55.36 52.34 2eh0 s GLN 91 Cb 0.05 -2.61 -0.02 0.00 -1.09 0.00 0.00 33.01 29.33 2eh0 s GLN 91 CO 0.35 0.48 1.87 -1.25 -1.32 0.00 0.00 175.29 175.42 2eh0 s PRO 92 N -3.10 2.62 0.22 9.60 0.04 -1.26 -4.71 135.00 138.41 2eh0 s PRO 92 Ca 0.31 0.51 0.10 0.00 0.04 0.00 0.00 61.00 61.95 2eh0 s PRO 92 Cb -0.10 -4.46 -0.04 0.00 0.04 0.00 0.00 34.50 29.94 2eh0 s PRO 92 CO 0.23 -2.80 -0.10 0.14 0.04 0.00 0.00 177.00 174.50 2eh0 s VAL 93 N 9.19 3.06 -0.53 -0.36 -7.23 -1.19 -4.90 120.40 118.44 2eh0 s VAL 93 Ca 0.67 -1.87 -0.25 0.00 -1.81 0.00 0.00 61.98 58.72 2eh0 s VAL 93 Cb -0.12 -2.56 0.04 0.00 0.56 0.00 0.00 36.38 34.30 2eh0 s VAL 93 CO 0.18 -0.22 0.97 -1.10 -0.31 0.00 0.00 175.10 174.62 2eh0 s GLN 94 N -3.12 3.42 1.02 4.82 -0.21 -1.26 -0.71 119.66 123.62 2eh0 s GLN 94 Ca 0.27 -0.06 -0.20 0.00 0.02 0.00 0.00 55.36 55.38 2eh0 s GLN 94 Cb -0.08 -4.01 -0.01 0.00 1.00 0.00 0.00 33.01 29.92 2eh0 s GLN 94 CO 0.16 -1.43 -0.55 1.28 -2.12 0.00 0.00 175.29 172.62 2eh0 n LEU 95 N 7.50 -2.44 -4.06 2.90 7.99 0.63 -4.95 117.00 124.57 2eh0 n LEU 95 Ca 0.04 -0.11 -0.27 0.00 -0.01 0.00 0.00 56.01 55.66 2eh0 n LEU 95 Cb 0.48 -0.73 -0.17 0.00 -0.11 0.00 0.00 43.42 42.90 2eh0 n LEU 95 CO 0.65 -2.81 -0.49 -0.60 -1.51 0.00 0.00 177.39 172.63 2eh0 s ARG 96 N -2.81 2.04 -0.81 3.23 6.06 -1.26 -4.76 118.95 120.63 2eh0 s ARG 96 Ca 0.42 -0.52 -0.25 0.00 -2.50 0.00 0.00 55.73 52.88 2eh0 s ARG 96 Cb -0.02 -1.66 -0.18 0.00 0.06 0.00 0.00 34.95 33.16 2eh0 s ARG 96 CO 0.57 0.03 2.19 0.45 -2.50 0.00 0.00 175.30 176.05 2eh0 n SER 97 N 3.85 0.22 0.00 -2.12 2.88 -1.26 0.19 113.62 117.39 2eh0 n SER 97 Ca -0.21 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 2eh0 n SER 97 Cb 0.52 -0.74 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 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 5.27 1.26 3.73 0.46 0.00 -0.31 -4.92 105.19 110.68 2eh0 n GLY 98 Ca 0.54 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.00 7.07 -0.46 1.61 4.22 0.51 -4.84 114.94 121.05 2eh0 s ASN 99 Ca 0.00 2.22 -0.23 0.00 -2.14 0.00 0.00 52.86 52.72 2eh0 s ASN 99 Cb 0.00 -2.60 0.03 0.00 1.28 0.00 0.00 41.25 39.96 2eh0 s ASN 99 CO 0.00 -0.39 0.77 -0.60 -2.04 0.00 0.00 177.10 174.84 2eh0 s ARG 100 N -0.08 3.36 -0.10 3.55 3.52 -1.26 -3.11 118.95 124.82 2eh0 s ARG 100 Ca 0.54 -0.22 -0.04 0.00 -0.13 0.00 0.00 55.73 55.88 2eh0 s ARG 100 Cb -0.33 -3.97 -0.04 0.00 -1.56 0.00 0.00 34.95 29.06 2eh0 s ARG 100 CO 0.36 -1.15 0.04 0.42 -0.81 0.00 0.00 175.30 174.16 2eh0 s ILE 101 N 3.25 4.65 -0.24 4.11 1.01 -0.82 -2.31 121.20 130.86 2eh0 s ILE 101 Ca 0.28 -0.11 0.01 0.00 0.00 0.00 0.00 60.65 60.82 2eh0 s ILE 101 Cb -0.13 -2.99 0.06 0.00 0.01 0.00 0.00 42.46 39.41 2eh0 s ILE 101 CO 0.21 0.60 -0.04 -0.63 0.00 0.00 0.00 174.94 175.07 2eh0 s ILE 102 N -0.79 1.47 0.01 2.92 1.01 0.02 -0.82 121.20 125.03 2eh0 s ILE 102 Ca 0.12 -1.21 -0.02 0.00 0.00 0.00 0.00 60.65 59.55 2eh0 s ILE 102 Cb -0.12 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 2eh0 s ILE 102 CO 0.03 -0.13 0.18 -0.04 0.00 0.00 0.00 174.94 174.98 2eh0 s MET 103 N 1.42 3.40 3.12 2.79 -1.94 0.09 -1.88 119.30 126.29 2eh0 s MET 103 Ca -0.05 -0.37 0.00 0.00 -1.71 0.00 0.00 55.69 53.56 2eh0 s MET 103 Cb -0.19 -3.06 0.00 0.00 2.01 0.00 0.00 34.83 33.60 2eh0 s MET 103 CO -0.07 0.65 0.00 0.41 -0.01 0.00 0.00 175.02 176.01 2eh0 n GLY 104 N 0.78 2.99 0.00 -0.03 0.00 0.18 -1.93 105.19 107.18 2eh0 n GLY 104 Ca -0.09 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 14.00 0.00 -1.93 1.61 4.01 -1.26 -4.77 118.16 129.82 2eh0 n LYS 105 Ca 0.00 0.00 -0.33 0.00 -0.51 0.00 0.00 58.31 57.47 2eh0 n LYS 105 Cb 0.00 -0.24 0.04 0.00 -0.51 0.00 0.00 35.03 34.32 2eh0 n LYS 105 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 2eh0 n ASN 106 N -1.98 6.45 -3.06 4.39 5.03 -1.26 -4.77 115.26 120.07 2eh0 n ASN 106 Ca 0.00 -3.78 -0.29 0.00 0.87 0.00 0.00 54.58 51.38 2eh0 n ASN 106 Cb 0.00 -0.77 -0.03 0.00 -1.02 0.00 0.00 39.78 37.95 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 -0.65 3.86 -2.63 3.10 8.25 -0.81 -4.85 115.22 121.50 2eh0 n HIS 107 Ca 0.51 -3.79 -0.31 0.00 -0.26 0.00 0.00 57.72 53.87 2eh0 n HIS 107 Cb 0.57 -0.60 -0.03 0.00 1.12 0.00 0.00 29.99 31.05 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 -4.39 4.67 -0.17 1.59 1.01 -1.26 -0.73 120.40 121.12 2eh0 s VAL 108 Ca 0.47 0.89 -0.15 0.00 0.00 0.00 0.00 61.98 63.19 2eh0 s VAL 108 Cb 0.26 -3.73 0.04 0.00 0.00 0.00 0.00 36.38 32.95 2eh0 s VAL 108 CO -0.13 -0.61 0.44 -0.36 0.00 0.00 0.00 175.10 174.44 2eh0 s PHE 109 N -2.51 -0.49 -0.25 5.22 0.40 0.00 -4.17 117.98 116.19 2eh0 s PHE 109 Ca 0.55 1.19 -0.07 0.00 -0.60 0.00 0.00 56.93 58.00 2eh0 s PHE 109 Cb -0.10 0.17 -0.02 0.00 0.51 0.00 0.00 43.02 43.58 2eh0 s PHE 109 CO 0.32 -0.24 0.05 0.50 0.70 0.00 0.00 175.22 176.55 2eh0 s ARG 110 N 0.26 3.48 -0.69 0.44 3.52 0.01 -1.95 118.95 124.03 2eh0 s ARG 110 Ca -0.00 -0.58 -0.27 0.00 -0.13 0.00 0.00 55.73 54.74 2eh0 s ARG 110 Cb -0.03 -3.27 0.03 0.00 -1.56 0.00 0.00 34.95 30.11 2eh0 s ARG 110 CO 0.00 -0.24 1.26 0.12 -0.81 0.00 0.00 175.30 175.63 2eh0 s PHE 111 N 1.57 2.37 -0.04 5.12 5.36 -1.18 -0.55 117.98 130.62 2eh0 s PHE 111 Ca 0.06 0.09 -0.23 0.00 -0.96 0.00 0.00 56.93 55.88 2eh0 s PHE 111 Cb -0.15 -4.59 -0.04 0.00 -0.34 0.00 0.00 43.02 37.89 2eh0 s PHE 111 CO 0.02 -1.94 0.70 -0.80 -1.46 0.00 0.00 175.22 171.74 2eh0 s ASN 112 N 3.54 7.03 -0.41 6.13 -0.87 0.74 -1.16 114.94 129.93 2eh0 s ASN 112 Ca 0.38 1.23 0.04 0.00 -1.57 0.00 0.00 52.86 52.94 2eh0 s ASN 112 Cb -0.08 -2.42 0.17 0.00 -0.02 0.00 0.00 41.25 38.90 2eh0 s ASN 112 CO 0.18 -0.07 0.36 -2.28 -2.57 0.00 0.00 177.10 172.71 2eh0 s HIS 113 N 0.56 0.90 0.08 2.20 2.46 -1.26 -2.30 115.29 117.92 2eh0 s HIS 113 Ca 0.37 -2.19 -0.17 0.00 0.47 0.00 0.00 55.06 53.54 2eh0 s HIS 113 Cb -0.18 -0.84 -0.11 0.00 -0.13 0.00 0.00 32.58 31.32 2eh0 s HIS 113 CO 0.19 -0.86 1.39 -1.00 -2.47 0.00 0.00 174.74 171.99 2eh0 h PRO 114 N 5.67 0.57 -0.88 2.88 0.13 -1.92 -0.98 132.00 137.46 2eh0 h PRO 114 Ca 0.25 -0.30 0.14 0.00 -0.87 0.00 0.00 66.00 65.22 2eh0 h PRO 114 Cb 0.92 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 31.92 2eh0 h PRO 114 CO 0.34 0.89 -0.39 1.49 -0.23 0.00 0.00 178.00 180.10 2eh0 h GLU 115 N 0.26 -0.05 0.04 0.86 4.81 -1.90 0.78 114.58 119.38 2eh0 h GLU 115 Ca 0.04 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 2eh0 h GLU 115 Cb 0.78 0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.18 2eh0 h GLU 115 CO 0.06 -0.03 -0.27 0.37 -0.73 0.00 0.00 179.01 178.41 2eh0 h GLN 116 N -0.05 0.11 -0.41 1.92 5.75 -1.93 -3.26 115.11 117.24 2eh0 h GLN 116 Ca 0.30 -0.17 0.12 0.00 -0.15 0.00 0.00 58.65 58.75 2eh0 h GLN 116 Cb 0.58 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.17 2eh0 h GLN 116 CO -0.90 1.04 0.83 0.00 -2.65 0.00 0.00 178.83 177.15 2eh0 h ALA 117 N 0.08 2.20 -0.77 3.38 0.00 -0.45 0.48 119.26 124.17 2eh0 h ALA 117 Ca -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2eh0 h ALA 117 Cb 1.17 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 2eh0 h ALA 117 CO 0.05 -1.04 0.45 0.07 0.00 0.00 0.00 179.25 178.78 2eh0 h ARG 118 N 0.00 1.05 0.00 0.00 0.11 -0.91 -0.83 114.38 113.80 2eh0 h ARG 118 Ca 0.19 -0.11 0.00 0.00 0.10 0.00 0.00 59.98 60.17 2eh0 h ARG 118 Cb 1.85 -0.22 0.00 0.00 1.11 0.00 0.00 29.97 32.71 2eh0 h ARG 118 CO -0.00 0.76 0.00 0.00 0.10 0.00 0.00 179.97 180.83 2eh0 n ALA 119 N -2.35 1.31 -0.32 0.08 0.00 0.17 -3.26 120.51 116.13 2eh0 n ALA 119 Ca 0.07 -0.02 0.31 0.00 0.00 0.00 0.00 53.44 53.80 2eh0 n ALA 119 Cb 0.07 -1.07 0.57 0.00 0.00 0.00 0.00 19.45 19.02 2eh0 n ALA 119 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2eh0 h GLU 120 N 0.00 0.02 0.00 0.00 4.11 -1.25 0.94 114.58 118.39 2eh0 h GLU 120 Ca 0.00 -0.00 -0.36 0.00 0.07 0.00 0.00 59.36 59.07 2eh0 h GLU 120 Cb 0.06 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.24 2eh0 h GLU 120 CO 0.00 0.01 -2.34 -2.13 0.07 0.00 0.00 179.01 174.62 2eh0 n ARG 121 N -5.26 0.78 -0.08 1.06 0.63 -1.20 -4.28 116.66 108.30 2eh0 n ARG 121 Ca 0.37 0.05 0.01 0.00 -0.92 0.00 0.00 57.85 57.36 2eh0 n ARG 121 Cb 1.26 -1.49 0.04 0.00 0.45 0.00 0.00 32.46 32.72 2eh0 n ARG 121 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2eh0 n GLU 122 N -2.90 1.36 -2.97 -0.14 -0.58 0.03 -4.86 120.64 110.59 2eh0 n GLU 122 Ca -0.36 -0.35 -0.36 0.00 -0.42 0.00 0.00 57.16 55.68 2eh0 n GLU 122 Cb 1.06 -1.39 -0.06 0.00 -0.57 0.00 0.00 31.44 30.48 2eh0 n GLU 122 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2eh0 s LYS 123 N -1.47 4.33 1.03 3.49 2.20 0.31 -4.94 119.74 124.68 2eh0 s LYS 123 Ca 0.06 1.02 -0.22 0.00 -0.36 0.00 0.00 55.97 56.47 2eh0 s LYS 123 Cb 0.04 -2.72 -0.08 0.00 -1.51 0.00 0.00 37.83 33.56 2eh0 s LYS 123 CO 0.03 0.28 -0.82 0.25 -0.36 0.00 0.00 175.35 174.73 2eh0 n THR 124 N 0.38 0.00 -3.22 3.43 -2.24 -1.26 -5.02 114.28 106.35 2eh0 n THR 124 Ca 0.01 -0.19 0.03 0.00 -2.27 0.00 0.00 64.05 61.63 2eh0 n THR 124 Cb 0.51 -0.22 -0.02 0.00 -2.10 0.00 0.00 70.33 68.50 2eh0 n THR 124 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2eh0 s SER 125 N -1.33 -1.33 0.00 3.42 1.04 -1.26 -5.12 113.70 109.13 2eh0 s SER 125 Ca 0.44 0.96 0.00 0.00 0.48 0.00 0.00 55.95 57.83 2eh0 s SER 125 Cb -0.04 2.16 0.00 0.00 0.10 0.00 0.00 66.02 68.25 2eh0 s SER 125 CO 0.69 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 175.27 2eh0 n GLY 126 N 5.43 2.21 3.75 7.32 0.00 -1.26 -5.14 105.19 117.51 2eh0 n GLY 126 Ca -0.02 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.00 4.44 -0.55 1.61 0.04 -1.26 -4.97 135.00 132.31 2eh0 s PRO 127 Ca 0.00 2.05 0.04 0.00 0.04 0.00 0.00 61.00 63.14 2eh0 s PRO 127 Cb 0.00 -3.15 0.38 0.00 0.04 0.00 0.00 34.50 31.77 2eh0 s PRO 127 CO 0.00 -0.11 1.14 0.43 0.04 0.00 0.00 177.00 178.50 2eh0 n SER 128 N 1.60 4.94 -4.33 6.66 7.64 -1.26 -5.01 113.62 123.86 2eh0 n SER 128 Ca 0.02 -3.71 -0.38 0.00 1.01 0.00 0.00 58.87 55.80 2eh0 n SER 128 Cb 0.43 -0.57 -0.12 0.00 -1.01 0.00 0.00 64.21 62.94 2eh0 n SER 128 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2eh0 s SER 129 N -3.26 5.39 0.00 6.43 1.04 -1.26 -5.35 113.70 116.69 2eh0 s SER 129 Ca 0.48 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.95 2eh0 s SER 129 Cb 0.35 -1.92 0.00 0.00 0.10 0.00 0.00 66.02 64.55 2eh0 s SER 129 CO -0.18 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.35