#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 7.10 0.19 1.61 0.15 -1.26 -5.04 113.70 116.46 2eh0 s SER 2 Ca 0.00 1.32 -0.23 0.00 0.70 0.00 0.00 55.95 57.74 2eh0 s SER 2 Cb 0.00 -2.44 0.05 0.00 -1.71 0.00 0.00 66.02 61.92 2eh0 s SER 2 CO 0.00 -0.04 0.77 -0.55 1.20 0.00 0.00 173.24 174.62 2eh0 s SER 3 N 0.32 -0.32 0.00 5.45 0.15 -1.26 -5.15 113.70 112.90 2eh0 s SER 3 Ca 0.38 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.66 2eh0 s SER 3 Cb -0.19 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 2eh0 s SER 3 CO 0.21 -1.08 0.00 0.61 1.20 0.00 0.00 173.24 174.17 2eh0 n GLY 4 N -0.42 4.83 3.02 9.45 0.00 -1.26 -4.92 105.19 115.88 2eh0 n GLY 4 Ca -0.08 -0.68 -0.17 0.00 0.00 0.00 0.00 46.02 45.09 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 0.00 1.18 -4.53 1.61 3.41 -1.26 -5.06 113.62 108.97 2eh0 n SER 5 Ca 0.00 -1.96 -0.32 0.00 -0.26 0.00 0.00 58.87 56.34 2eh0 n SER 5 Cb 0.00 -0.46 0.15 0.00 -0.26 0.00 0.00 64.21 63.64 2eh0 n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2eh0 n SER 6 N -2.83 -0.94 -3.41 4.04 7.64 -1.26 -3.72 113.62 113.15 2eh0 n SER 6 Ca 0.13 0.34 -0.20 0.00 1.01 0.00 0.00 58.87 60.14 2eh0 n SER 6 Cb 0.46 -1.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 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 0.91 -0.84 3.75 0.23 0.00 -1.26 -4.85 105.19 103.14 2eh0 n GLY 7 Ca 0.09 0.52 -0.40 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.52 3.71 0.41 2.61 2.01 -1.24 -4.28 115.64 116.34 2eh0 s THR 8 Ca 0.04 1.68 -0.25 0.00 0.31 0.00 0.00 61.69 63.47 2eh0 s THR 8 Cb -0.00 -4.07 -0.08 0.00 0.01 0.00 0.00 72.50 68.35 2eh0 s THR 8 CO 0.68 0.38 1.19 -2.16 -0.69 0.00 0.00 174.62 174.01 2eh0 s PRO 9 N -1.18 3.99 0.00 4.92 0.04 -1.26 -4.85 135.00 136.66 2eh0 s PRO 9 Ca 0.44 1.87 -0.29 0.00 0.04 0.00 0.00 61.00 63.07 2eh0 s PRO 9 Cb -0.30 -2.64 0.08 0.00 0.04 0.00 0.00 34.50 31.68 2eh0 s PRO 9 CO 0.38 -0.38 0.70 -3.38 0.04 0.00 0.00 177.00 174.35 2eh0 s HIS 10 N -1.41 -0.58 -0.16 0.56 -3.43 -1.22 -0.55 115.29 108.51 2eh0 s HIS 10 Ca 0.58 0.81 -0.04 0.00 -0.80 0.00 0.00 55.06 55.61 2eh0 s HIS 10 Cb -0.31 0.46 -0.03 0.00 -1.43 0.00 0.00 32.58 31.27 2eh0 s HIS 10 CO 0.39 -0.65 -0.02 -0.51 -2.00 0.00 0.00 174.74 171.95 2eh0 s LEU 11 N -1.69 3.37 0.05 5.38 1.43 0.13 -1.55 118.68 125.80 2eh0 s LEU 11 Ca -0.06 -0.08 -0.08 0.00 -1.03 0.00 0.00 54.13 52.88 2eh0 s LEU 11 Cb -0.00 -1.82 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 2eh0 s LEU 11 CO 0.02 0.18 0.35 -0.69 0.23 0.00 0.00 176.35 176.44 2eh0 s VAL 12 N 0.28 5.18 -1.24 -1.59 1.01 -0.41 -0.89 120.40 122.74 2eh0 s VAL 12 Ca -0.02 0.33 -0.11 0.00 0.00 0.00 0.00 61.98 62.18 2eh0 s VAL 12 Cb -0.14 -3.62 0.18 0.00 0.00 0.00 0.00 36.38 32.80 2eh0 s VAL 12 CO 0.02 0.32 1.63 -3.20 0.00 0.00 0.00 175.10 173.86 2eh0 n ASN 13 N 0.98 5.21 0.00 3.32 2.85 0.29 -1.62 115.26 126.29 2eh0 n ASN 13 Ca -0.09 -3.05 0.05 0.00 -0.11 0.00 0.00 54.58 51.38 2eh0 n ASN 13 Cb 0.52 -1.52 0.31 0.00 1.24 0.00 0.00 39.78 40.34 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 4.67 0.00 -4.08 1.20 -0.00 -1.25 -4.90 117.00 112.64 2eh0 n LEU 14 Ca 0.38 0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 56.02 2eh0 n LEU 14 Cb 0.39 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.88 2eh0 n LEU 14 CO 0.71 0.00 -1.38 0.59 -0.00 0.00 0.00 177.39 177.31 2eh0 n ASN 15 N -0.69 -4.07 -0.23 1.45 4.13 -1.24 -4.81 115.26 109.80 2eh0 n ASN 15 Ca 0.08 0.10 0.11 0.00 1.68 0.00 0.00 54.58 56.54 2eh0 n ASN 15 Cb 0.04 -0.75 0.52 0.00 -1.54 0.00 0.00 39.78 38.05 2eh0 n ASN 15 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 2eh0 n GLU 16 N 1.44 1.31 -3.55 3.52 0.28 -1.26 -4.45 120.64 117.92 2eh0 n GLU 16 Ca -0.01 -0.46 -0.39 0.00 -0.16 0.00 0.00 57.16 56.15 2eh0 n GLU 16 Cb 0.63 -1.36 -0.05 0.00 1.43 0.00 0.00 31.44 32.10 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 -1.64 6.39 0.00 -1.84 1.11 -1.26 -4.86 116.67 114.57 2eh0 s ASP 17 Ca 0.32 -3.71 0.15 0.00 0.18 0.00 0.00 52.55 49.48 2eh0 s ASP 17 Cb 0.16 -1.99 0.72 0.00 1.07 0.00 0.00 42.92 42.87 2eh0 s ASP 17 CO 0.25 -0.21 1.41 -0.81 1.18 0.00 0.00 175.17 177.00 2eh0 n PRO 18 N 2.41 0.17 0.02 8.23 -0.04 -1.26 -1.95 135.00 142.57 2eh0 n PRO 18 Ca 0.22 0.17 0.11 0.00 -0.04 0.00 0.00 63.50 63.96 2eh0 n PRO 18 Cb 0.38 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.33 0.63 -3.89 1.53 4.77 -1.26 -4.97 117.00 112.49 2eh0 n LEU 19 Ca 0.06 -0.12 -0.55 0.00 -0.03 0.00 0.00 56.01 55.38 2eh0 n LEU 19 Cb 0.13 -0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 41.05 2eh0 n LEU 19 CO 0.12 0.09 0.83 1.15 -1.33 0.00 0.00 177.39 178.25 2eh0 n MET 20 N -1.85 0.00 0.00 3.23 0.00 -0.82 -4.75 117.12 112.93 2eh0 n MET 20 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 57.70 57.80 2eh0 n MET 20 Cb 0.42 -1.25 0.49 0.00 0.00 0.00 0.00 33.22 32.88 2eh0 n MET 20 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 2eh0 n SER 21 N 2.78 0.00 -3.41 3.17 7.64 -1.26 -4.79 113.62 117.75 2eh0 n SER 21 Ca 0.23 -1.04 -0.16 0.00 1.01 0.00 0.00 58.87 58.92 2eh0 n SER 21 Cb -0.02 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.28 2eh0 n SER 21 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2eh0 n GLU 22 N -0.83 -0.22 -2.16 1.43 4.71 -1.26 -5.04 120.64 117.27 2eh0 n GLU 22 Ca 0.12 -1.51 -0.38 0.00 -0.01 0.00 0.00 57.16 55.39 2eh0 n GLU 22 Cb 0.06 -0.58 -0.00 0.00 -1.01 0.00 0.00 31.44 29.90 2eh0 n GLU 22 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2eh0 h LEU 24 N 2.04 0.83 -8.06 0.00 -0.00 -1.96 -3.46 115.31 104.70 2eh0 h LEU 24 Ca -0.50 -0.59 -0.11 0.00 -0.00 0.00 0.00 57.88 56.69 2eh0 h LEU 24 Cb 1.26 -0.24 -0.13 0.00 -0.00 0.00 0.00 40.66 41.54 2eh0 h LEU 24 CO 0.60 1.27 -0.40 -1.48 -0.00 0.00 0.00 178.44 178.43 2eh0 s LEU 25 N -8.62 1.29 -0.11 1.67 0.05 -1.26 -0.55 118.68 111.15 2eh0 s LEU 25 Ca -0.11 -0.86 0.00 0.00 0.05 0.00 0.00 54.13 53.21 2eh0 s LEU 25 Cb 0.08 0.97 0.02 0.00 -2.05 0.00 0.00 46.19 45.21 2eh0 s LEU 25 CO 0.87 -0.81 -0.10 -0.31 -0.55 0.00 0.00 176.35 175.45 2eh0 s TYR 26 N -3.95 1.61 -0.37 3.48 1.51 -0.07 -4.99 117.35 114.58 2eh0 s TYR 26 Ca 0.14 -0.79 -0.28 0.00 -1.01 0.00 0.00 57.07 55.13 2eh0 s TYR 26 Cb 0.05 -1.27 0.02 0.00 -0.11 0.00 0.00 41.96 40.64 2eh0 s TYR 26 CO -0.04 -0.50 1.04 0.71 -1.11 0.00 0.00 175.55 175.66 2eh0 s TYR 27 N 1.46 3.05 -0.54 2.71 1.51 -1.26 -0.70 117.35 123.58 2eh0 s TYR 27 Ca 0.01 0.95 -0.29 0.00 -1.01 0.00 0.00 57.07 56.74 2eh0 s TYR 27 Cb -0.13 -3.86 0.03 0.00 -0.11 0.00 0.00 41.96 37.89 2eh0 s TYR 27 CO -0.06 -0.91 1.18 0.42 -1.11 0.00 0.00 175.55 175.07 2eh0 s ILE 28 N 3.79 4.08 0.60 2.71 1.01 0.29 -4.96 121.20 128.72 2eh0 s ILE 28 Ca 0.44 1.02 -0.09 0.00 0.00 0.00 0.00 60.65 62.02 2eh0 s ILE 28 Cb -0.11 -4.68 0.13 0.00 0.01 0.00 0.00 42.46 37.82 2eh0 s ILE 28 CO 0.20 -1.21 0.30 2.29 0.00 0.00 0.00 174.94 176.52 2eh0 n LYS 29 N 8.23 -1.71 -3.32 2.79 0.00 -1.26 -4.20 118.16 118.68 2eh0 n LYS 29 Ca 0.10 -0.51 -0.43 0.00 -0.00 0.00 0.00 58.31 57.47 2eh0 n LYS 29 Cb 0.49 -0.83 -0.01 0.00 -0.00 0.00 0.00 35.03 34.68 2eh0 n LYS 29 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2eh0 n ASP 30 N -2.51 5.51 0.00 -5.58 5.68 -1.26 -4.79 116.55 113.60 2eh0 n ASP 30 Ca 0.05 -3.13 0.00 0.00 -0.50 0.00 0.00 54.79 51.21 2eh0 n ASP 30 Cb 0.21 -1.31 0.00 0.00 -1.14 0.00 0.00 41.12 38.88 2eh0 n ASP 30 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2eh0 n GLY 31 N 2.34 -0.34 3.28 6.12 0.00 -1.20 -4.97 105.19 110.43 2eh0 n GLY 31 Ca 0.24 0.60 -0.33 0.00 0.00 0.00 0.00 46.02 46.53 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 2.79 2.80 -0.34 -0.61 1.09 -1.26 -1.78 121.20 123.89 2eh0 s ILE 32 Ca 0.00 -0.72 0.02 0.00 -1.10 0.00 0.00 60.65 58.84 2eh0 s ILE 32 Cb 0.00 -2.19 0.10 0.00 -1.06 0.00 0.00 42.46 39.31 2eh0 s ILE 32 CO 0.00 0.51 0.09 -0.89 -0.10 0.00 0.00 174.94 174.55 2eh0 s THR 33 N 0.83 1.56 -0.02 2.92 2.01 -0.29 -4.99 115.64 117.67 2eh0 s THR 33 Ca -0.04 -1.93 -0.26 0.00 0.31 0.00 0.00 61.69 59.76 2eh0 s THR 33 Cb -0.15 -2.16 -0.04 0.00 0.01 0.00 0.00 72.50 70.16 2eh0 s THR 33 CO -0.00 -0.66 0.81 -0.13 -0.69 0.00 0.00 174.62 173.95 2eh0 s ARG 34 N 1.18 4.50 -0.42 4.92 0.52 -1.26 0.46 118.95 128.84 2eh0 s ARG 34 Ca 0.11 1.11 -0.09 0.00 -0.52 0.00 0.00 55.73 56.34 2eh0 s ARG 34 Cb -0.19 -3.43 0.09 0.00 0.52 0.00 0.00 34.95 31.93 2eh0 s ARG 34 CO -0.16 0.07 0.26 0.08 0.02 0.00 0.00 175.30 175.58 2eh0 s VAL 35 N 0.70 4.15 0.00 3.52 1.01 0.21 0.16 120.40 130.15 2eh0 s VAL 35 Ca 0.43 -1.49 0.00 0.00 0.00 0.00 0.00 61.98 60.92 2eh0 s VAL 35 Cb -0.19 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.61 2eh0 s VAL 35 CO 0.23 -0.55 0.00 0.61 0.00 0.00 0.00 175.10 175.39 2eh0 n GLY 36 N 4.89 2.68 3.92 4.51 0.00 -1.14 -2.58 105.19 117.48 2eh0 n GLY 36 Ca -0.09 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.56 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 4.11 3.09 0.52 1.61 -0.21 -1.22 -2.69 119.66 124.87 2eh0 s GLN 37 Ca 0.00 -1.00 0.33 0.00 0.02 0.00 0.00 55.36 54.71 2eh0 s GLN 37 Cb 0.00 -2.71 1.42 0.00 1.00 0.00 0.00 33.01 32.72 2eh0 s GLN 37 CO 0.00 0.25 1.99 0.00 -2.12 0.00 0.00 175.29 175.41 2eh0 h ALA 38 N 1.18 1.00 -0.38 6.09 0.00 -1.91 -2.84 119.26 122.40 2eh0 h ALA 38 Ca -0.48 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.29 2eh0 h ALA 38 Cb 1.24 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2eh0 h ALA 38 CO 0.58 0.00 -0.32 -0.44 0.00 0.00 0.00 179.25 179.07 2eh0 h ASP 39 N 0.00 0.88 -0.71 0.00 5.19 -1.94 -3.40 116.42 116.44 2eh0 h ASP 39 Ca 0.00 -0.37 -0.52 0.00 -0.62 0.00 0.00 57.03 55.52 2eh0 h ASP 39 Cb 0.44 -0.25 0.05 0.00 0.18 0.00 0.00 39.33 39.75 2eh0 h ASP 39 CO 0.00 1.12 -0.12 0.00 -3.12 0.00 0.00 179.24 177.13 2eh0 n ALA 40 N -2.52 -2.57 -0.41 3.45 0.00 -1.07 -4.62 120.51 112.76 2eh0 n ALA 40 Ca -0.01 0.38 0.34 0.00 0.00 0.00 0.00 53.44 54.14 2eh0 n ALA 40 Cb 0.50 -1.20 0.55 0.00 0.00 0.00 0.00 19.45 19.30 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 0.92 -0.02 -4.04 0.00 1.02 -1.26 -3.06 120.64 114.19 2eh0 n GLU 41 Ca 0.14 0.91 -0.31 0.00 -0.02 0.00 0.00 57.16 57.87 2eh0 n GLU 41 Cb 0.10 -1.88 -0.15 0.00 -0.02 0.00 0.00 31.44 29.49 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 -4.71 1.84 -0.75 3.49 1.81 -1.26 -5.04 118.95 114.33 2eh0 s ARG 42 Ca -0.05 -1.63 -0.21 0.00 -1.72 0.00 0.00 55.73 52.12 2eh0 s ARG 42 Cb 0.23 -3.06 -0.18 0.00 -0.45 0.00 0.00 34.95 31.49 2eh0 s ARG 42 CO 0.64 -0.77 1.97 -2.13 -0.68 0.00 0.00 175.30 174.33 2eh0 n ARG 43 N 4.34 0.00 -0.67 3.54 0.63 -1.17 -4.81 116.66 118.52 2eh0 n ARG 43 Ca -0.04 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.57 2eh0 n ARG 43 Cb 0.42 -1.07 0.18 0.00 0.45 0.00 0.00 32.46 32.43 2eh0 n ARG 43 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2eh0 n GLN 44 N 6.07 -1.39 0.01 -0.14 1.13 -1.25 -4.96 117.38 116.85 2eh0 n GLN 44 Ca 0.50 -0.38 -0.09 0.00 -1.94 0.00 0.00 57.00 55.09 2eh0 n GLN 44 Cb 0.03 -1.86 -0.07 0.00 0.11 0.00 0.00 30.24 28.45 2eh0 n GLN 44 CO 0.00 0.00 0.00 0.38 -1.44 0.00 0.00 177.06 176.00 2eh0 h ASP 45 N -2.06 -0.11 -3.62 1.08 2.03 -0.60 -3.44 116.42 109.71 2eh0 h ASP 45 Ca -0.52 -0.39 -0.68 0.00 -0.73 0.00 0.00 57.03 54.71 2eh0 h ASP 45 Cb 1.33 0.03 -0.26 0.00 -0.83 0.00 0.00 39.33 39.60 2eh0 h ASP 45 CO 0.39 0.52 -0.60 -0.63 -1.03 0.00 0.00 179.24 177.89 2eh0 s ILE 46 N -2.65 4.09 -0.17 4.15 1.01 -1.21 -5.04 121.20 121.37 2eh0 s ILE 46 Ca -0.11 -0.70 -0.22 0.00 0.00 0.00 0.00 60.65 59.62 2eh0 s ILE 46 Cb -0.00 -3.14 -0.02 0.00 0.01 0.00 0.00 42.46 39.30 2eh0 s ILE 46 CO 0.39 0.03 0.70 -0.69 0.00 0.00 0.00 174.94 175.37 2eh0 s VAL 47 N 1.51 4.98 0.29 2.92 1.01 -1.25 -2.86 120.40 127.00 2eh0 s VAL 47 Ca 0.02 1.36 0.08 0.00 0.00 0.00 0.00 61.98 63.44 2eh0 s VAL 47 Cb -0.17 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 2eh0 s VAL 47 CO 0.03 0.10 0.14 -0.76 0.00 0.00 0.00 175.10 174.62 2eh0 s LEU 48 N 1.83 3.46 0.24 3.92 2.01 -1.10 -5.03 118.68 124.02 2eh0 s LEU 48 Ca 0.33 -0.53 0.07 0.00 0.01 0.00 0.00 54.13 54.00 2eh0 s LEU 48 Cb -0.16 -1.99 -0.04 0.00 0.01 0.00 0.00 46.19 44.01 2eh0 s LEU 48 CO 0.12 -0.14 0.19 -0.44 1.01 0.00 0.00 176.35 177.09 2eh0 s SER 49 N -3.82 5.51 0.00 2.29 0.01 -1.26 -4.81 113.70 111.63 2eh0 s SER 49 Ca 0.35 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.37 2eh0 s SER 49 Cb -0.06 -1.40 0.00 0.00 0.21 0.00 0.00 66.02 64.77 2eh0 s SER 49 CO 0.23 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.47 2eh0 n GLY 50 N -1.08 2.07 0.12 3.44 0.00 -1.26 -4.77 105.19 103.71 2eh0 n GLY 50 Ca -0.08 -2.04 -0.17 0.00 0.00 0.00 0.00 46.02 43.73 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 0.59 1.22 0.26 4.61 0.00 -1.26 -4.09 120.51 121.85 2eh0 n ALA 51 Ca 0.00 -0.85 0.12 0.00 0.00 0.00 0.00 53.44 52.72 2eh0 n ALA 51 Cb 0.00 -0.51 0.66 0.00 0.00 0.00 0.00 19.45 19.60 2eh0 n ALA 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2eh0 h HIS 52 N 0.03 0.00 -4.03 0.00 -0.00 -1.90 -3.41 115.15 105.84 2eh0 h HIS 52 Ca -0.45 0.00 -0.45 0.00 -0.00 0.00 0.00 60.37 59.47 2eh0 h HIS 52 Cb 2.02 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 29.42 2eh0 h HIS 52 CO 0.04 0.00 0.35 0.42 -0.00 0.00 0.00 177.93 178.74 2eh0 s ILE 53 N -3.78 4.27 0.13 2.45 -1.09 -1.26 -4.67 121.20 117.26 2eh0 s ILE 53 Ca -0.03 1.49 0.11 0.00 -2.23 0.00 0.00 60.65 59.99 2eh0 s ILE 53 Cb 0.07 -3.64 -0.04 0.00 -1.58 0.00 0.00 42.46 37.27 2eh0 s ILE 53 CO 0.22 -0.24 -0.27 -0.54 -1.23 0.00 0.00 174.94 172.88 2eh0 s LYS 54 N -3.01 1.40 0.45 2.79 -0.14 -1.26 -4.99 119.74 114.98 2eh0 s LYS 54 Ca 0.61 -1.35 0.27 0.00 -1.36 0.00 0.00 55.97 54.14 2eh0 s LYS 54 Cb -0.12 -1.90 1.31 0.00 -1.68 0.00 0.00 37.83 35.44 2eh0 s LYS 54 CO 0.16 0.45 1.74 1.05 -0.76 0.00 0.00 175.35 177.98 2eh0 h GLU 55 N 3.88 0.21 -0.59 1.68 9.09 -1.91 -0.39 114.58 126.54 2eh0 h GLU 55 Ca -0.51 -0.01 -0.40 0.00 0.05 0.00 0.00 59.36 58.49 2eh0 h GLU 55 Cb 1.17 -0.05 -0.41 0.00 -1.65 0.00 0.00 28.75 27.81 2eh0 h GLU 55 CO 0.39 0.14 -0.95 0.39 0.05 0.00 0.00 179.01 179.02 2eh0 n GLU 56 N -4.51 2.71 -0.31 1.06 1.02 -1.26 -3.44 120.64 115.91 2eh0 n GLU 56 Ca 0.29 -3.84 0.24 0.00 -0.02 0.00 0.00 57.16 53.82 2eh0 n GLU 56 Cb 1.14 -1.95 0.44 0.00 -0.02 0.00 0.00 31.44 31.05 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 -0.65 0.90 -3.82 -0.32 -0.00 -0.16 -4.21 115.22 106.96 2eh0 n HIS 57 Ca 0.27 1.13 -0.03 0.00 0.46 0.00 0.00 57.72 59.54 2eh0 n HIS 57 Cb 0.89 -1.39 0.01 0.00 -0.12 0.00 0.00 29.99 29.38 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 -2.59 0.06 -0.19 0.00 1.01 -0.98 -0.62 121.20 117.90 2eh0 s ILE 59 Ca 0.18 -1.61 -0.04 0.00 0.00 0.00 0.00 60.65 59.17 2eh0 s ILE 59 Cb -0.02 -2.03 0.06 0.00 0.01 0.00 0.00 42.46 40.48 2eh0 s ILE 59 CO 0.04 -0.26 0.06 -0.36 0.00 0.00 0.00 174.94 174.42 2eh0 s PHE 60 N -4.02 0.66 -0.19 3.97 0.08 0.17 -2.60 117.98 116.05 2eh0 s PHE 60 Ca 0.23 -0.64 -0.09 0.00 0.12 0.00 0.00 56.93 56.55 2eh0 s PHE 60 Cb 0.04 -0.89 -0.04 0.00 -0.57 0.00 0.00 43.02 41.56 2eh0 s PHE 60 CO 0.03 -0.58 0.10 0.50 -0.10 0.00 0.00 175.22 175.17 2eh0 s ARG 61 N 1.98 4.06 -0.22 0.44 3.52 -0.31 -1.13 118.95 127.29 2eh0 s ARG 61 Ca 0.01 -0.29 0.01 0.00 -0.13 0.00 0.00 55.73 55.33 2eh0 s ARG 61 Cb -0.17 -3.32 0.05 0.00 -1.56 0.00 0.00 34.95 29.95 2eh0 s ARG 61 CO -0.10 0.26 -0.09 -1.12 -0.81 0.00 0.00 175.30 173.45 2eh0 s SER 62 N 0.43 3.69 -0.02 -2.12 0.01 -0.73 -0.73 113.70 114.22 2eh0 s SER 62 Ca 0.05 -1.05 -0.04 0.00 1.31 0.00 0.00 55.95 56.22 2eh0 s SER 62 Cb -0.12 -1.26 0.00 0.00 0.21 0.00 0.00 66.02 64.85 2eh0 s SER 62 CO -0.00 -0.18 0.08 -0.70 0.41 0.00 0.00 173.24 172.85 2eh0 s GLU 63 N 1.35 0.25 -0.11 12.44 -6.30 -0.90 -3.22 118.70 122.20 2eh0 s GLU 63 Ca -0.04 -0.15 -0.29 0.00 -2.50 0.00 0.00 54.97 51.99 2eh0 s GLU 63 Cb -0.18 0.10 -0.01 0.00 0.00 0.00 0.00 34.13 34.05 2eh0 s GLU 63 CO -0.07 -0.05 0.99 0.50 0.02 0.00 0.00 175.26 176.65 2eh0 s ARG 64 N -0.61 4.41 1.31 4.30 3.52 -1.26 -0.97 118.95 129.64 2eh0 s ARG 64 Ca -0.07 1.35 -0.22 0.00 -0.13 0.00 0.00 55.73 56.66 2eh0 s ARG 64 Cb -0.04 -3.54 0.33 0.00 -1.56 0.00 0.00 34.95 30.14 2eh0 s ARG 64 CO 0.00 -0.31 0.93 0.45 -0.81 0.00 0.00 175.30 175.56 2eh0 n SER 65 N 5.01 -3.19 0.28 -2.12 2.88 0.53 -4.81 113.62 112.20 2eh0 n SER 65 Ca 0.08 -0.97 0.18 0.00 -1.33 0.00 0.00 58.87 56.82 2eh0 n SER 65 Cb 0.49 -0.95 0.75 0.00 -0.75 0.00 0.00 64.21 63.74 2eh0 n SER 65 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2eh0 h ASN 66 N -3.17 0.00 0.18 -3.46 4.21 -1.96 -1.85 115.58 109.52 2eh0 h ASN 66 Ca -0.38 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.13 2eh0 h ASN 66 Cb 1.24 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.44 2eh0 h ASN 66 CO 0.24 0.01 -0.08 -1.20 -1.29 0.00 0.00 177.43 175.12 2eh0 n SER 67 N -3.12 0.75 0.00 5.81 7.64 -1.26 -4.89 113.62 118.54 2eh0 n SER 67 Ca 0.00 -0.95 0.00 0.00 1.01 0.00 0.00 58.87 58.93 2eh0 n SER 67 Cb 0.28 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 2eh0 n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2eh0 n GLY 68 N 1.21 0.73 3.69 0.23 0.00 -0.70 -5.04 105.19 105.32 2eh0 n GLY 68 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.37 4.25 -0.55 1.61 -1.05 -1.26 -4.77 118.70 116.56 2eh0 s GLU 69 Ca 0.00 0.42 -0.26 0.00 -0.15 0.00 0.00 54.97 54.98 2eh0 s GLU 69 Cb 0.00 -3.51 -0.04 0.00 -0.44 0.00 0.00 34.13 30.14 2eh0 s GLU 69 CO 0.00 -0.02 2.03 0.08 0.95 0.00 0.00 175.26 178.31 2eh0 s VAL 70 N 1.21 3.25 -0.23 1.83 1.01 -1.26 -0.35 120.40 125.86 2eh0 s VAL 70 Ca 0.25 0.15 -0.09 0.00 0.00 0.00 0.00 61.98 62.29 2eh0 s VAL 70 Cb -0.15 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2eh0 s VAL 70 CO 0.10 -0.59 0.10 -0.63 0.00 0.00 0.00 175.10 174.08 2eh0 s ILE 71 N 9.93 4.85 -0.04 2.22 -1.09 -0.15 -4.82 121.20 132.10 2eh0 s ILE 71 Ca 0.78 0.00 0.01 0.00 -2.23 0.00 0.00 60.65 59.21 2eh0 s ILE 71 Cb -0.15 -3.24 -0.03 0.00 -1.58 0.00 0.00 42.46 37.45 2eh0 s ILE 71 CO 0.23 0.37 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.59 2eh0 s VAL 72 N 1.09 4.01 0.08 2.92 1.01 -1.26 -2.13 120.40 126.12 2eh0 s VAL 72 Ca 0.05 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.58 2eh0 s VAL 72 Cb -0.14 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 2eh0 s VAL 72 CO 0.04 0.49 -0.13 -0.89 0.00 0.00 0.00 175.10 174.61 2eh0 s THR 73 N -0.95 1.04 0.13 3.92 2.01 0.09 -1.95 115.64 119.92 2eh0 s THR 73 Ca 0.16 -1.36 0.03 0.00 0.31 0.00 0.00 61.69 60.83 2eh0 s THR 73 Cb -0.11 -1.09 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 2eh0 s THR 73 CO 0.06 -0.31 0.20 -0.22 -0.69 0.00 0.00 174.62 173.66 2eh0 s LEU 74 N -1.88 4.14 -0.42 4.42 2.96 -0.05 -1.17 118.68 126.69 2eh0 s LEU 74 Ca -0.01 0.09 0.04 0.00 -0.22 0.00 0.00 54.13 54.03 2eh0 s LEU 74 Cb -0.09 -2.74 0.17 0.00 0.50 0.00 0.00 46.19 44.03 2eh0 s LEU 74 CO 0.02 0.10 0.38 -1.61 -1.32 0.00 0.00 176.35 173.91 2eh0 s GLU 75 N -2.94 0.89 1.15 1.98 2.02 -1.07 -3.14 118.70 117.59 2eh0 s GLU 75 Ca 0.33 -1.90 -0.19 0.00 0.02 0.00 0.00 54.97 53.22 2eh0 s GLU 75 Cb -0.11 -1.22 0.28 0.00 0.10 0.00 0.00 34.13 33.18 2eh0 s GLU 75 CO 0.26 -1.37 1.01 -0.35 0.02 0.00 0.00 175.26 174.84 2eh0 n PRO 76 N 2.96 -3.01 -4.09 0.39 -0.04 -1.26 -2.31 135.00 127.64 2eh0 n PRO 76 Ca 0.27 -1.62 -0.25 0.00 -0.04 0.00 0.00 63.50 61.86 2eh0 n PRO 76 Cb 0.48 -1.52 -0.06 0.00 -0.04 0.00 0.00 33.50 32.35 2eh0 n PRO 76 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2eh0 h GLU 78 N 1.32 0.00 -0.83 0.00 4.11 -1.91 -3.34 114.58 113.93 2eh0 h GLU 78 Ca -0.42 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 58.68 2eh0 h GLU 78 Cb 1.26 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.32 2eh0 h GLU 78 CO 0.68 0.42 0.41 0.54 0.07 0.00 0.00 179.01 181.13 2eh0 n ARG 79 N -2.99 3.18 -4.36 1.06 1.74 -1.26 -4.94 116.66 109.08 2eh0 n ARG 79 Ca -0.13 -3.07 -0.18 0.00 -0.77 0.00 0.00 57.85 53.70 2eh0 n ARG 79 Cb 0.96 -2.20 -0.10 0.00 -1.02 0.00 0.00 32.46 30.09 2eh0 n ARG 79 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2eh0 s SER 80 N -1.15 1.63 -0.53 0.55 0.01 -1.25 -4.93 113.70 108.02 2eh0 s SER 80 Ca 0.56 -1.37 0.04 0.00 1.31 0.00 0.00 55.95 56.49 2eh0 s SER 80 Cb 0.46 0.07 0.13 0.00 0.21 0.00 0.00 66.02 66.89 2eh0 s SER 80 CO 0.12 -0.68 0.28 -0.70 0.41 0.00 0.00 173.24 172.67 2eh0 s GLU 81 N -3.98 2.02 -0.08 12.44 2.56 -1.26 -4.85 118.70 125.55 2eh0 s GLU 81 Ca 0.37 -2.67 -0.01 0.00 0.00 0.00 0.00 54.97 52.65 2eh0 s GLU 81 Cb 0.08 -3.33 -0.03 0.00 2.00 0.00 0.00 34.13 32.85 2eh0 s GLU 81 CO 0.14 -1.12 -0.01 0.99 -0.56 0.00 0.00 175.26 174.70 2eh0 s THR 82 N -0.37 4.22 -0.06 -1.70 2.01 -1.26 -1.46 115.64 117.01 2eh0 s THR 82 Ca 0.17 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 61.87 2eh0 s THR 82 Cb -0.25 -2.77 0.02 0.00 0.01 0.00 0.00 72.50 69.51 2eh0 s THR 82 CO -0.01 0.59 -0.05 -0.31 -0.69 0.00 0.00 174.62 174.15 2eh0 s TYR 83 N -0.89 0.92 -0.14 4.92 2.02 -1.01 -1.09 117.35 122.08 2eh0 s TYR 83 Ca 0.14 -0.31 -0.00 0.00 -0.37 0.00 0.00 57.07 56.52 2eh0 s TYR 83 Cb -0.11 -0.82 -0.01 0.00 -0.40 0.00 0.00 41.96 40.62 2eh0 s TYR 83 CO 0.03 -0.28 -0.14 0.08 -1.57 0.00 0.00 175.55 173.67 2eh0 s VAL 84 N 1.23 2.88 -1.52 0.71 1.01 0.60 -0.42 120.40 124.89 2eh0 s VAL 84 Ca -0.06 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.21 2eh0 s VAL 84 Cb -0.14 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 34.03 2eh0 s VAL 84 CO -0.02 0.52 0.00 0.59 0.00 0.00 0.00 175.10 176.19 2eh0 n ASN 85 N 3.80 -5.04 0.00 3.32 5.03 0.91 -1.76 115.26 121.52 2eh0 n ASN 85 Ca -0.18 0.05 0.00 0.00 0.87 0.00 0.00 54.58 55.32 2eh0 n ASN 85 Cb 0.52 -4.12 0.00 0.00 -1.02 0.00 0.00 39.78 35.16 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 -0.99 3.11 3.98 7.41 0.00 -1.25 -4.90 105.19 112.54 2eh0 n GLY 86 Ca -0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.37 2.89 0.67 1.61 -2.85 -0.72 -5.01 119.74 115.95 2eh0 s LYS 87 Ca 0.00 -0.89 -0.11 0.00 -1.00 0.00 0.00 55.97 53.97 2eh0 s LYS 87 Cb 0.00 -2.66 -0.01 0.00 -2.06 0.00 0.00 37.83 33.10 2eh0 s LYS 87 CO 0.00 -0.29 1.05 0.50 0.10 0.00 0.00 175.35 176.71 2eh0 s ARG 88 N -4.45 3.16 -0.18 1.78 3.52 -1.26 0.22 118.95 121.74 2eh0 s ARG 88 Ca 0.51 0.81 -0.04 0.00 -0.13 0.00 0.00 55.73 56.89 2eh0 s ARG 88 Cb -0.10 -2.03 0.08 0.00 -1.56 0.00 0.00 34.95 31.35 2eh0 s ARG 88 CO 0.35 -0.90 0.20 0.54 -0.81 0.00 0.00 175.30 174.68 2eh0 s VAL 89 N -3.13 -0.29 -0.04 7.11 0.11 -0.25 -4.48 120.40 119.43 2eh0 s VAL 89 Ca 0.57 -0.04 0.05 0.00 -2.93 0.00 0.00 61.98 59.62 2eh0 s VAL 89 Cb -0.13 -0.61 -0.07 0.00 -1.53 0.00 0.00 36.38 34.05 2eh0 s VAL 89 CO 0.54 -0.15 0.11 -1.54 -3.33 0.00 0.00 175.10 170.73 2eh0 n SER 90 N 5.32 3.35 -4.63 3.54 3.41 -1.26 -4.52 113.62 118.82 2eh0 n SER 90 Ca -0.06 -0.10 -0.26 0.00 -0.26 0.00 0.00 58.87 58.20 2eh0 n SER 90 Cb 0.49 1.17 -0.08 0.00 -0.26 0.00 0.00 64.21 65.54 2eh0 n SER 90 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2eh0 s GLN 91 N -2.17 2.28 -0.30 4.33 -2.07 -1.26 -4.74 119.66 115.72 2eh0 s GLN 91 Ca -0.01 -1.22 -0.29 0.00 -1.82 0.00 0.00 55.36 52.02 2eh0 s GLN 91 Cb 0.03 -2.26 -0.02 0.00 -1.09 0.00 0.00 33.01 29.68 2eh0 s GLN 91 CO 0.19 0.43 1.66 -1.25 -1.32 0.00 0.00 175.29 175.00 2eh0 s PRO 92 N -3.06 3.56 0.12 9.60 0.04 -1.26 -4.75 135.00 139.25 2eh0 s PRO 92 Ca 0.27 1.44 0.05 0.00 0.04 0.00 0.00 61.00 62.80 2eh0 s PRO 92 Cb -0.09 -4.10 -0.04 0.00 0.04 0.00 0.00 34.50 30.31 2eh0 s PRO 92 CO 0.18 -1.59 -0.12 0.14 0.04 0.00 0.00 177.00 175.65 2eh0 s VAL 93 N 5.98 1.16 -0.17 -0.36 -7.23 -1.19 -4.93 120.40 113.66 2eh0 s VAL 93 Ca 0.73 -1.78 -0.29 0.00 -1.81 0.00 0.00 61.98 58.84 2eh0 s VAL 93 Cb -0.22 -1.55 -0.01 0.00 0.56 0.00 0.00 36.38 35.16 2eh0 s VAL 93 CO 0.32 -0.54 1.24 -1.10 -0.31 0.00 0.00 175.10 174.71 2eh0 s GLN 94 N -2.97 4.23 0.68 4.82 -0.21 -1.26 -0.87 119.66 124.08 2eh0 s GLN 94 Ca 0.10 1.63 -0.16 0.00 0.02 0.00 0.00 55.36 56.95 2eh0 s GLN 94 Cb -0.02 -3.76 0.01 0.00 1.00 0.00 0.00 33.01 30.24 2eh0 s GLN 94 CO 0.01 -0.71 1.19 -0.51 -2.12 0.00 0.00 175.29 173.16 2eh0 s LEU 95 N 3.49 3.42 -0.08 2.90 2.01 -0.82 -4.94 118.68 124.66 2eh0 s LEU 95 Ca 0.54 2.30 -0.01 0.00 0.01 0.00 0.00 54.13 56.96 2eh0 s LEU 95 Cb -0.21 -4.58 -0.03 0.00 0.01 0.00 0.00 46.19 41.37 2eh0 s LEU 95 CO 0.14 -1.98 0.00 -0.60 1.01 0.00 0.00 176.35 174.92 2eh0 s ARG 96 N -3.80 2.96 -0.75 1.70 6.06 -1.26 -4.81 118.95 119.05 2eh0 s ARG 96 Ca 0.74 -0.43 -0.25 0.00 -2.50 0.00 0.00 55.73 53.29 2eh0 s ARG 96 Cb -0.28 -2.78 -0.15 0.00 0.06 0.00 0.00 34.95 31.81 2eh0 s ARG 96 CO 0.41 0.70 2.40 0.45 -2.50 0.00 0.00 175.30 176.76 2eh0 n SER 97 N 2.06 1.55 0.00 -2.12 2.88 -1.26 -1.00 113.62 115.73 2eh0 n SER 97 Ca -0.18 -1.10 0.00 0.00 -1.33 0.00 0.00 58.87 56.26 2eh0 n SER 97 Cb 0.54 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.49 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 6.48 1.98 3.78 0.46 0.00 0.12 -4.78 105.19 113.22 2eh0 n GLY 98 Ca 0.47 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.13 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 6.48 -0.34 1.61 4.22 -0.17 -4.79 114.94 119.95 2eh0 s ASN 99 Ca 0.00 0.57 -0.27 0.00 -2.14 0.00 0.00 52.86 51.02 2eh0 s ASN 99 Cb 0.00 -2.17 0.01 0.00 1.28 0.00 0.00 41.25 40.38 2eh0 s ASN 99 CO 0.00 0.21 0.98 -0.13 -2.04 0.00 0.00 177.10 176.12 2eh0 s ARG 100 N -0.13 3.96 -0.27 3.55 0.52 -1.26 -1.82 118.95 123.49 2eh0 s ARG 100 Ca 0.17 0.80 -0.06 0.00 -0.52 0.00 0.00 55.73 56.12 2eh0 s ARG 100 Cb -0.13 -3.77 -0.00 0.00 0.52 0.00 0.00 34.95 31.57 2eh0 s ARG 100 CO 0.05 -0.91 0.05 0.42 0.02 0.00 0.00 175.30 174.93 2eh0 s ILE 101 N 3.53 3.88 0.18 1.52 1.01 0.12 -0.06 121.20 131.38 2eh0 s ILE 101 Ca 0.41 -0.57 0.05 0.00 0.00 0.00 0.00 60.65 60.54 2eh0 s ILE 101 Cb -0.12 -2.93 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 2eh0 s ILE 101 CO 0.17 0.19 0.16 -0.63 0.00 0.00 0.00 174.94 174.83 2eh0 s ILE 102 N 1.51 4.54 -0.23 2.92 1.09 0.44 -1.93 121.20 129.55 2eh0 s ILE 102 Ca 0.04 -1.11 -0.04 0.00 -1.10 0.00 0.00 60.65 58.43 2eh0 s ILE 102 Cb -0.16 -3.35 0.08 0.00 -1.06 0.00 0.00 42.46 37.97 2eh0 s ILE 102 CO 0.01 -0.16 0.13 -0.04 -0.10 0.00 0.00 174.94 174.79 2eh0 s MET 103 N -3.26 0.14 -1.13 2.79 -1.94 -0.65 -2.41 119.30 112.83 2eh0 s MET 103 Ca 0.32 -0.23 0.00 0.00 -1.71 0.00 0.00 55.69 54.06 2eh0 s MET 103 Cb -0.10 -1.45 0.00 0.00 2.01 0.00 0.00 34.83 35.30 2eh0 s MET 103 CO 0.24 -0.83 0.00 0.41 -0.01 0.00 0.00 175.02 174.83 2eh0 n GLY 104 N 5.27 -0.02 3.41 -0.03 0.00 -0.54 -2.89 105.19 110.39 2eh0 n GLY 104 Ca -0.06 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.39 2eh0 n GLY 104 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2eh0 n LYS 105 N -2.27 -2.46 0.00 1.61 4.81 -1.26 -4.69 118.16 113.90 2eh0 n LYS 105 Ca -0.15 0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 2eh0 n LYS 105 Cb 0.60 -4.84 0.00 0.00 0.02 0.00 0.00 35.03 30.80 2eh0 n LYS 105 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2eh0 n ASN 106 N -2.08 3.41 -4.07 3.14 2.85 -1.14 -5.05 115.26 112.32 2eh0 n ASN 106 Ca 0.02 0.00 -0.25 0.00 -0.11 0.00 0.00 54.58 54.24 2eh0 n ASN 106 Cb 0.51 0.28 -0.16 0.00 1.24 0.00 0.00 39.78 41.64 2eh0 n ASN 106 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 2eh0 s HIS 107 N -1.71 1.56 -0.17 1.20 3.76 -1.21 -5.02 115.29 113.70 2eh0 s HIS 107 Ca 0.00 -0.53 -0.00 0.00 -0.15 0.00 0.00 55.06 54.37 2eh0 s HIS 107 Cb 0.00 -1.10 0.04 0.00 1.11 0.00 0.00 32.58 32.63 2eh0 s HIS 107 CO 0.00 -0.24 -0.06 0.08 -0.85 0.00 0.00 174.74 173.67 2eh0 s VAL 108 N 0.43 1.16 0.19 -0.90 1.01 -1.26 -1.64 120.40 119.39 2eh0 s VAL 108 Ca -0.11 -0.68 0.11 0.00 0.00 0.00 0.00 61.98 61.30 2eh0 s VAL 108 Cb -0.14 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 2eh0 s VAL 108 CO 0.03 0.12 -0.22 -0.36 0.00 0.00 0.00 175.10 174.67 2eh0 s PHE 109 N 1.61 2.18 -0.12 5.22 0.08 -0.81 -3.64 117.98 122.49 2eh0 s PHE 109 Ca 0.00 -0.38 -0.01 0.00 0.12 0.00 0.00 56.93 56.66 2eh0 s PHE 109 Cb -0.15 -1.08 -0.02 0.00 -0.57 0.00 0.00 43.02 41.20 2eh0 s PHE 109 CO -0.08 0.47 -0.10 0.50 -0.10 0.00 0.00 175.22 175.92 2eh0 s ARG 110 N -2.74 3.31 0.08 0.44 6.06 -0.64 -0.71 118.95 124.76 2eh0 s ARG 110 Ca 0.20 -0.62 -0.30 0.00 -2.50 0.00 0.00 55.73 52.51 2eh0 s ARG 110 Cb -0.07 -2.69 -0.05 0.00 0.06 0.00 0.00 34.95 32.20 2eh0 s ARG 110 CO 0.09 0.32 0.99 0.12 -2.50 0.00 0.00 175.30 174.32 2eh0 s PHE 111 N 0.11 3.73 -0.26 5.12 5.36 -0.76 -1.29 117.98 129.99 2eh0 s PHE 111 Ca -0.04 1.73 0.02 0.00 -0.96 0.00 0.00 56.93 57.68 2eh0 s PHE 111 Cb -0.14 -3.11 0.05 0.00 -0.34 0.00 0.00 43.02 39.48 2eh0 s PHE 111 CO 0.04 0.02 -0.09 1.21 -1.46 0.00 0.00 175.22 174.94 2eh0 s ASN 112 N 0.37 4.45 -0.62 6.13 3.84 -0.59 0.11 114.94 128.63 2eh0 s ASN 112 Ca 0.49 -1.30 0.05 0.00 0.21 0.00 0.00 52.86 52.31 2eh0 s ASN 112 Cb -0.23 -1.59 0.17 0.00 -0.55 0.00 0.00 41.25 39.05 2eh0 s ASN 112 CO 0.30 -0.19 0.44 -2.28 -2.79 0.00 0.00 177.10 172.58 2eh0 s HIS 113 N 1.16 2.94 0.21 0.43 2.46 -1.26 -3.37 115.29 117.85 2eh0 s HIS 113 Ca -0.07 -3.08 0.26 0.00 0.47 0.00 0.00 55.06 52.64 2eh0 s HIS 113 Cb -0.19 -2.27 1.10 0.00 -0.13 0.00 0.00 32.58 31.08 2eh0 s HIS 113 CO -0.05 -0.62 1.90 -1.00 -2.47 0.00 0.00 174.74 172.50 2eh0 h PRO 114 N 5.52 0.00 0.71 2.88 0.13 -1.89 -2.89 132.00 136.46 2eh0 h PRO 114 Ca 0.16 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.26 2eh0 h PRO 114 Cb 0.80 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.93 2eh0 h PRO 114 CO 0.63 0.18 -0.34 1.49 -0.23 0.00 0.00 178.00 179.73 2eh0 h GLU 115 N 0.00 -0.92 -0.33 0.86 4.22 -1.90 -3.13 114.58 113.38 2eh0 h GLU 115 Ca -0.00 0.06 -0.00 0.00 0.08 0.00 0.00 59.36 59.50 2eh0 h GLU 115 Cb 0.62 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 2eh0 h GLU 115 CO 0.02 -0.61 0.19 0.37 -2.18 0.00 0.00 179.01 176.80 2eh0 h GLN 116 N -0.95 0.46 -1.22 1.92 5.75 -1.88 -2.33 115.11 116.85 2eh0 h GLN 116 Ca -0.10 -0.05 0.35 0.00 -0.15 0.00 0.00 58.65 58.71 2eh0 h GLN 116 Cb 0.73 -0.09 -0.05 0.00 1.07 0.00 0.00 27.48 29.14 2eh0 h GLN 116 CO 0.16 0.37 1.27 0.00 -2.65 0.00 0.00 178.83 177.98 2eh0 h ALA 117 N 1.06 3.16 -0.33 3.38 0.00 -1.52 0.93 119.26 125.95 2eh0 h ALA 117 Ca 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2eh0 h ALA 117 Cb 0.04 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2eh0 h ALA 117 CO -0.02 -1.90 0.16 0.07 0.00 0.00 0.00 179.25 177.56 2eh0 h ARG 118 N 0.00 0.48 0.00 0.00 0.11 -1.36 -2.47 114.38 111.13 2eh0 h ARG 118 Ca 0.58 -0.07 0.00 0.00 0.10 0.00 0.00 59.98 60.59 2eh0 h ARG 118 Cb 3.11 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 34.11 2eh0 h ARG 118 CO -0.01 0.44 -0.26 0.00 0.10 0.00 0.00 179.97 180.24 2eh0 n ALA 119 N -2.25 2.85 0.17 0.08 0.00 0.32 -2.61 120.51 119.07 2eh0 n ALA 119 Ca -0.01 -0.20 0.05 0.00 0.00 0.00 0.00 53.44 53.28 2eh0 n ALA 119 Cb 0.11 -1.30 0.20 0.00 0.00 0.00 0.00 19.45 18.45 2eh0 n ALA 119 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2eh0 h GLU 120 N 0.00 0.00 0.00 0.00 4.39 -0.91 -3.30 114.58 114.76 2eh0 h GLU 120 Ca 0.00 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.33 2eh0 h GLU 120 Cb 0.55 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.13 2eh0 h GLU 120 CO 0.00 0.39 -2.37 -2.13 -1.16 0.00 0.00 179.01 173.74 2eh0 n ARG 121 N -3.33 0.59 -0.32 2.33 0.63 -1.07 -4.47 116.66 111.03 2eh0 n ARG 121 Ca 0.01 0.15 0.20 0.00 -0.92 0.00 0.00 57.85 57.29 2eh0 n ARG 121 Cb 0.60 -1.47 0.41 0.00 0.45 0.00 0.00 32.46 32.45 2eh0 n ARG 121 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 2eh0 h GLU 122 N -0.09 0.16 -4.65 -0.14 4.11 -1.62 -3.42 114.58 108.92 2eh0 h GLU 122 Ca -0.55 -0.01 -0.50 0.00 0.07 0.00 0.00 59.36 58.37 2eh0 h GLU 122 Cb 1.80 -0.04 0.11 0.00 0.50 0.00 0.00 28.75 31.12 2eh0 h GLU 122 CO -0.11 0.11 -0.60 1.17 0.07 0.00 0.00 179.01 179.65 2eh0 n LYS 123 N -5.23 0.00 -4.43 1.06 3.00 -1.24 -0.10 118.16 111.22 2eh0 n LYS 123 Ca 0.28 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 58.20 2eh0 n LYS 123 Cb 0.91 -0.78 -0.08 0.00 0.00 0.00 0.00 35.03 35.09 2eh0 n LYS 123 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2eh0 n THR 124 N -0.45 -0.47 -1.90 3.15 -1.04 -1.26 -4.78 114.28 107.53 2eh0 n THR 124 Ca 0.11 -0.13 -0.43 0.00 -2.04 0.00 0.00 64.05 61.56 2eh0 n THR 124 Cb 0.26 -0.84 -0.03 0.00 -1.82 0.00 0.00 70.33 67.90 2eh0 n THR 124 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2eh0 s SER 125 N -3.56 6.02 0.74 8.00 1.04 0.86 -4.94 113.70 121.87 2eh0 s SER 125 Ca 0.60 1.72 -0.16 0.00 0.48 0.00 0.00 55.95 58.59 2eh0 s SER 125 Cb -0.35 -2.52 -0.08 0.00 0.10 0.00 0.00 66.02 63.17 2eh0 s SER 125 CO 1.01 -1.53 0.13 0.61 0.98 0.00 0.00 173.24 174.43 2eh0 n GLY 126 N 5.14 -2.51 3.69 7.32 0.00 -1.26 -4.95 105.19 112.62 2eh0 n GLY 126 Ca 0.23 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.30 0.66 0.01 1.61 0.04 -1.26 -4.99 135.00 128.78 2eh0 s PRO 127 Ca 0.58 0.61 -0.25 0.00 0.04 0.00 0.00 61.00 61.98 2eh0 s PRO 127 Cb -0.34 -1.76 -0.18 0.00 0.04 0.00 0.00 34.50 32.26 2eh0 s PRO 127 CO 0.65 -2.59 1.33 1.03 0.04 0.00 0.00 177.00 177.45 2eh0 h SER 128 N -1.80 -0.14 -4.14 6.66 0.87 -2.06 -3.44 113.55 109.50 2eh0 h SER 128 Ca -0.53 -0.28 -0.54 0.00 -1.23 0.00 0.00 61.79 59.21 2eh0 h SER 128 Cb 1.32 0.04 0.14 0.00 -0.44 0.00 0.00 62.40 63.46 2eh0 h SER 128 CO 0.57 0.22 0.44 -0.44 -0.53 0.00 0.00 176.83 177.08 2eh0 s SER 129 N -5.36 4.57 0.00 6.23 0.01 -1.26 -5.34 113.70 112.55 2eh0 s SER 129 Ca -0.15 2.40 0.00 0.00 1.31 0.00 0.00 55.95 59.51 2eh0 s SER 129 Cb 0.03 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.66 2eh0 s SER 129 CO 0.62 -2.01 0.00 0.61 0.41 0.00 0.00 173.24 172.87