#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gm0 s GLN 2 N 0.00 2.69 -1.66 -1.46 -0.21 -1.26 -4.02 119.66 113.74 1gm0 s GLN 2 Ca 0.00 1.33 -0.15 0.00 0.02 0.00 0.00 55.36 56.56 1gm0 s GLN 2 Cb 0.00 -1.94 0.13 0.00 1.00 0.00 0.00 33.01 32.20 1gm0 s GLN 2 CO 0.00 -1.33 0.68 0.39 -2.12 0.00 0.00 175.29 172.91 1gm0 n GLU 3 N -2.67 -2.95 -2.57 2.91 1.02 -1.26 -4.91 120.64 110.21 1gm0 n GLU 3 Ca 0.10 0.35 -0.28 0.00 -0.02 0.00 0.00 57.16 57.31 1gm0 n GLU 3 Cb 0.52 -4.92 -0.01 0.00 -0.02 0.00 0.00 31.44 27.02 1gm0 n GLU 3 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1gm0 n VAL 4 N -4.38 2.75 -2.58 2.62 0.31 -1.26 -4.62 118.33 111.17 1gm0 n VAL 4 Ca -0.00 -5.10 -0.09 0.00 -0.01 0.00 0.00 64.34 59.13 1gm0 n VAL 4 Cb 0.53 -1.31 0.04 0.00 -0.91 0.00 0.00 33.84 32.18 1gm0 n VAL 4 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1gm0 n MET 5 N -0.41 2.25 -0.51 5.55 2.81 -1.26 -4.96 117.12 120.59 1gm0 n MET 5 Ca 0.38 -3.71 -0.28 0.00 -1.81 0.00 0.00 57.70 52.28 1gm0 n MET 5 Cb 0.55 -1.77 0.22 0.00 -0.71 0.00 0.00 33.22 31.50 1gm0 n MET 5 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1gm0 n LYS 6 N -0.55 -2.61 -1.66 0.03 5.02 -1.26 -4.89 118.16 112.24 1gm0 n LYS 6 Ca 0.19 -0.76 -0.46 0.00 -2.02 0.00 0.00 58.31 55.26 1gm0 n LYS 6 Cb 0.84 -1.81 -0.04 0.00 -0.02 0.00 0.00 35.03 34.00 1gm0 n LYS 6 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1gm0 n ASN 7 N -3.22 2.90 -2.75 4.39 5.15 -1.26 -4.00 115.26 116.48 1gm0 n ASN 7 Ca 0.04 1.10 -0.04 0.00 -0.60 0.00 0.00 54.58 55.08 1gm0 n ASN 7 Cb 0.55 -1.41 -0.03 0.00 -0.53 0.00 0.00 39.78 38.36 1gm0 n ASN 7 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1gm0 n LEU 8 N 3.05 -5.99 0.12 1.20 -0.00 -1.26 -4.96 117.00 109.16 1gm0 n LEU 8 Ca 0.16 1.85 0.13 0.00 -0.00 0.00 0.00 56.01 58.14 1gm0 n LEU 8 Cb 0.29 -2.87 0.37 0.00 -0.00 0.00 0.00 43.42 41.21 1gm0 n LEU 8 CO 0.63 -3.60 0.88 0.28 -0.00 0.00 0.00 177.39 175.58 1gm0 h SER 9 N 4.17 0.00 -3.49 1.96 0.02 -1.94 -3.45 113.55 110.82 1gm0 h SER 9 Ca -0.36 0.00 -0.44 0.00 -0.84 0.00 0.00 61.79 60.16 1gm0 h SER 9 Cb 0.85 0.00 0.19 0.00 0.14 0.00 0.00 62.40 63.58 1gm0 h SER 9 CO 0.02 0.00 0.08 -0.76 -1.14 0.00 0.00 176.83 175.03 1gm0 s LEU 10 N -4.77 0.96 -0.91 5.07 1.43 -1.26 -4.97 118.68 114.23 1gm0 s LEU 10 Ca 0.10 1.26 0.00 0.00 -1.03 0.00 0.00 54.13 54.47 1gm0 s LEU 10 Cb 0.11 -3.23 0.33 0.00 0.03 0.00 0.00 46.19 43.43 1gm0 s LEU 10 CO 0.60 -3.87 1.62 -3.20 0.23 0.00 0.00 176.35 171.74 1gm0 n ASN 11 N -4.67 6.68 -0.27 2.29 2.85 -1.14 -4.77 115.26 116.22 1gm0 n ASN 11 Ca 0.04 -3.69 -0.07 0.00 -0.11 0.00 0.00 54.58 50.75 1gm0 n ASN 11 Cb 0.56 -1.02 0.06 0.00 1.24 0.00 0.00 39.78 40.62 1gm0 n ASN 11 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 1gm0 h PHE 12 N 3.87 1.20 -0.38 1.20 -1.00 -1.89 -3.24 116.94 116.71 1gm0 h PHE 12 Ca 0.44 -0.12 0.04 0.00 2.81 0.00 0.00 57.97 61.14 1gm0 h PHE 12 Cb 0.36 -0.35 -0.06 0.00 3.61 0.00 0.00 35.95 39.51 1gm0 h PHE 12 CO 1.21 0.94 -0.32 0.78 -1.61 0.00 0.00 178.31 179.32 1gm0 h GLY 13 N 1.12 -1.57 0.98 -1.45 0.00 -1.98 0.15 103.07 100.32 1gm0 h GLY 13 Ca 0.24 0.87 -0.00 0.00 0.00 0.00 0.00 47.33 48.44 1gm0 h GLY 13 CO -0.01 -0.42 0.19 0.50 0.00 0.00 0.00 176.54 176.80 1gm0 h LYS 14 N -0.11 0.44 -0.93 4.80 1.79 -1.95 0.34 116.57 120.95 1gm0 h LYS 14 Ca 0.06 -0.04 0.03 0.00 -2.18 0.00 0.00 60.65 58.53 1gm0 h LYS 14 Cb 0.28 -0.09 -0.05 0.00 -1.58 0.00 0.00 32.23 30.78 1gm0 h LYS 14 CO -0.42 0.34 0.61 0.00 -1.08 0.00 0.00 179.45 178.90 1gm0 h ALA 15 N 1.07 1.40 -0.02 3.86 0.00 -1.41 0.41 119.26 124.58 1gm0 h ALA 15 Ca 0.12 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1gm0 h ALA 15 Cb 0.02 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1gm0 h ALA 15 CO -0.02 0.51 -0.01 -0.07 0.00 0.00 0.00 179.25 179.66 1gm0 h LEU 16 N 1.18 0.04 -2.59 0.00 3.38 -0.50 -1.17 115.31 115.65 1gm0 h LEU 16 Ca 0.37 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1gm0 h LEU 16 Cb 0.01 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1gm0 h LEU 16 CO -0.11 0.43 0.10 -0.78 0.09 0.00 0.00 178.44 178.17 1gm0 h ASP 17 N -0.35 0.00 0.00 -0.43 3.58 -0.21 0.20 116.42 119.21 1gm0 h ASP 17 Ca 0.00 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.22 1gm0 h ASP 17 Cb 0.42 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.43 1gm0 h ASP 17 CO 0.00 0.00 -1.26 -0.33 -2.88 0.00 0.00 179.24 174.78 1gm0 h GLU 18 N 0.00 0.01 -0.03 0.28 5.08 -0.92 -3.38 114.58 115.62 1gm0 h GLU 18 Ca 0.02 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1gm0 h GLU 18 Cb 0.21 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1gm0 h GLU 18 CO -0.00 1.01 -0.41 0.00 -1.00 0.00 0.00 179.01 178.61 1gm0 h LYS 20 N 0.05 0.01 0.23 0.00 5.09 -0.86 0.38 116.57 121.47 1gm0 h LYS 20 Ca 0.00 -0.00 -0.32 0.00 0.09 0.00 0.00 60.65 60.42 1gm0 h LYS 20 Cb 0.75 -0.00 0.03 0.00 0.10 0.00 0.00 32.23 33.11 1gm0 h LYS 20 CO 0.06 0.00 -1.47 0.87 -2.09 0.00 0.00 179.45 176.82 1gm0 h LYS 21 N 0.01 0.48 -0.79 0.07 1.57 -0.89 0.10 116.57 117.12 1gm0 h LYS 21 Ca 0.26 -0.83 0.04 0.00 -1.87 0.00 0.00 60.65 58.25 1gm0 h LYS 21 Cb 1.04 0.31 -0.05 0.00 0.08 0.00 0.00 32.23 33.62 1gm0 h LYS 21 CO -0.00 1.40 0.52 0.93 -0.57 0.00 0.00 179.45 181.72 1gm0 h GLU 22 N 0.07 0.92 -0.35 3.15 5.08 0.26 -2.61 114.58 121.10 1gm0 h GLU 22 Ca -0.27 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1gm0 h GLU 22 Cb 2.09 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 31.14 1gm0 h GLU 22 CO 0.24 0.61 0.00 -1.33 -1.00 0.00 0.00 179.01 177.53 1gm0 n MET 23 N -4.46 2.37 -4.06 2.33 0.00 -0.07 -4.99 117.12 108.25 1gm0 n MET 23 Ca 0.10 -2.02 -0.40 0.00 0.00 0.00 0.00 57.70 55.38 1gm0 n MET 23 Cb 0.13 -1.34 0.00 0.00 0.00 0.00 0.00 33.22 32.01 1gm0 n MET 23 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1gm0 n THR 24 N 0.86 -2.11 -1.45 2.03 -1.04 -0.98 -4.94 114.28 106.65 1gm0 n THR 24 Ca 0.14 -0.51 -0.30 0.00 -2.04 0.00 0.00 64.05 61.34 1gm0 n THR 24 Cb 0.46 -1.81 0.20 0.00 -1.82 0.00 0.00 70.33 67.36 1gm0 n THR 24 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1gm0 s LEU 25 N -7.18 1.66 0.79 -4.42 1.43 0.32 -5.01 118.68 106.27 1gm0 s LEU 25 Ca 0.38 0.62 -0.11 0.00 -1.03 0.00 0.00 54.13 53.99 1gm0 s LEU 25 Cb -0.21 -2.61 0.07 0.00 0.03 0.00 0.00 46.19 43.47 1gm0 s LEU 25 CO 0.86 -3.29 1.12 0.42 0.23 0.00 0.00 176.35 175.69 1gm0 s THR 26 N -3.34 2.90 0.06 5.49 -4.23 -1.26 -4.92 115.64 110.33 1gm0 s THR 26 Ca 0.70 0.32 -0.16 0.00 -1.18 0.00 0.00 61.69 61.37 1gm0 s THR 26 Cb -0.09 -2.70 -0.23 0.00 1.34 0.00 0.00 72.50 70.82 1gm0 s THR 26 CO 0.54 -0.36 1.17 -0.78 -0.54 0.00 0.00 174.62 174.66 1gm0 h ASP 27 N -1.09 0.80 0.00 3.99 1.82 -1.96 -3.28 116.42 116.70 1gm0 h ASP 27 Ca -0.44 -0.73 0.00 0.00 -0.39 0.00 0.00 57.03 55.47 1gm0 h ASP 27 Cb 1.25 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 41.01 1gm0 h ASP 27 CO 0.49 1.43 0.00 0.00 -1.61 0.00 0.00 179.24 179.55 1gm0 n ALA 28 N -2.63 1.52 -0.08 -0.78 0.00 -1.26 -3.12 120.51 114.17 1gm0 n ALA 28 Ca -0.10 -0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.45 1gm0 n ALA 28 Cb 0.80 -1.02 0.51 0.00 0.00 0.00 0.00 19.45 19.74 1gm0 n ALA 28 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1gm0 h ILE 29 N 0.00 0.88 0.00 0.00 -0.00 -1.97 0.29 117.51 116.72 1gm0 h ILE 29 Ca 0.00 -0.13 -0.04 0.00 -0.00 0.00 0.00 64.86 64.69 1gm0 h ILE 29 Cb 0.00 0.46 -0.01 0.00 -0.00 0.00 0.00 36.82 37.28 1gm0 h ILE 29 CO 0.00 0.07 -0.19 -1.13 -0.00 0.00 0.00 178.15 176.90 1gm0 h ASN 30 N 0.38 0.00 0.00 2.16 -0.73 -1.86 -2.20 115.58 113.33 1gm0 h ASN 30 Ca 0.28 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.41 1gm0 h ASN 30 Cb 0.59 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.17 1gm0 h ASN 30 CO -0.07 0.19 -0.47 -0.33 -0.37 0.00 0.00 177.43 176.37 1gm0 h GLU 31 N 0.00 0.00 -0.64 6.67 5.08 -1.68 -3.39 114.58 120.62 1gm0 h GLU 31 Ca -0.00 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.47 1gm0 h GLU 31 Cb 0.35 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.52 1gm0 h GLU 31 CO 0.03 0.23 0.21 0.22 -1.00 0.00 0.00 179.01 178.69 1gm0 h ASP 32 N -1.00 0.16 0.02 1.42 3.58 -0.90 0.19 116.42 119.89 1gm0 h ASP 32 Ca -0.06 0.10 0.02 0.00 0.42 0.00 0.00 57.03 57.51 1gm0 h ASP 32 Cb 0.55 0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.67 1gm0 h ASP 32 CO -0.03 0.08 -0.13 0.15 -2.88 0.00 0.00 179.24 176.42 1gm0 h PHE 33 N 0.37 -0.35 -0.10 0.28 3.57 -1.64 -1.52 116.94 117.55 1gm0 h PHE 33 Ca 0.34 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.69 1gm0 h PHE 33 Cb 0.47 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1gm0 h PHE 33 CO -0.20 -0.20 -0.60 1.88 -2.23 0.00 0.00 178.31 176.96 1gm0 h TYR 34 N -0.24 0.44 -0.59 0.41 -1.99 -1.51 -3.27 116.97 110.22 1gm0 h TYR 34 Ca 0.04 -0.17 -0.10 0.00 2.00 0.00 0.00 58.73 60.51 1gm0 h TYR 34 Cb 0.29 -0.08 -0.02 0.00 2.00 0.00 0.00 36.73 38.92 1gm0 h TYR 34 CO -0.18 0.85 -0.01 -0.91 -0.00 0.00 0.00 178.16 177.91 1gm0 h ASN 35 N 0.25 1.03 -1.00 3.88 2.35 -0.32 -3.26 115.58 118.52 1gm0 h ASN 35 Ca -0.01 -0.31 0.23 0.00 -0.55 0.00 0.00 56.30 55.66 1gm0 h ASN 35 Cb 1.12 -0.28 -0.19 0.00 0.05 0.00 0.00 38.32 39.03 1gm0 h ASN 35 CO 0.10 1.09 -0.16 0.33 -1.65 0.00 0.00 177.43 177.15 1gm0 n PHE 36 N -4.20 0.45 0.04 1.19 7.35 -0.60 -1.18 117.46 120.52 1gm0 n PHE 36 Ca 0.03 1.21 -0.01 0.00 -0.76 0.00 0.00 57.45 57.92 1gm0 n PHE 36 Cb 0.35 -1.14 0.27 0.00 0.35 0.00 0.00 39.48 39.32 1gm0 n PHE 36 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 1gm0 h TRP 37 N 0.00 0.46 -2.49 -5.13 6.55 -1.77 -3.41 115.95 110.15 1gm0 h TRP 37 Ca 0.52 -0.07 -0.57 0.00 0.95 0.00 0.00 58.89 59.72 1gm0 h TRP 37 Cb 0.91 -0.12 -0.01 0.00 -0.86 0.00 0.00 29.16 29.07 1gm0 h TRP 37 CO -0.68 0.57 1.27 0.15 -1.05 0.00 0.00 178.44 178.70 1gm0 s LYS 38 N -4.67 3.55 0.19 0.49 1.02 -0.32 -4.84 119.74 115.16 1gm0 s LYS 38 Ca -0.07 1.82 -0.33 0.00 0.02 0.00 0.00 55.97 57.42 1gm0 s LYS 38 Cb 0.15 -4.18 -0.14 0.00 -0.52 0.00 0.00 37.83 33.13 1gm0 s LYS 38 CO 0.77 -1.61 1.38 0.39 -0.92 0.00 0.00 175.35 175.36 1gm0 n GLU 39 N 8.13 1.78 0.00 1.68 4.71 -1.26 -2.20 120.64 133.48 1gm0 n GLU 39 Ca 0.23 0.64 0.00 0.00 -0.01 0.00 0.00 57.16 58.01 1gm0 n GLU 39 Cb 0.45 -2.28 0.00 0.00 -1.01 0.00 0.00 31.44 28.60 1gm0 n GLU 39 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1gm0 n GLY 40 N 2.41 1.24 3.58 0.62 0.00 -1.26 -5.06 105.19 106.73 1gm0 n GLY 40 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1gm0 n GLY 40 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gm0 s TYR 41 N -2.29 2.22 0.00 1.61 2.02 -0.93 -4.88 117.35 115.10 1gm0 s TYR 41 Ca 0.00 0.58 -0.02 0.00 -0.37 0.00 0.00 57.07 57.25 1gm0 s TYR 41 Cb 0.00 -4.32 -0.10 0.00 -0.40 0.00 0.00 41.96 37.14 1gm0 s TYR 41 CO 0.00 -2.10 2.24 -1.91 -1.57 0.00 0.00 175.55 172.22 1gm0 n GLU 42 N 8.50 1.17 -2.03 -0.62 2.13 -1.26 -4.82 120.64 123.70 1gm0 n GLU 42 Ca 0.15 -0.36 -0.40 0.00 0.66 0.00 0.00 57.16 57.21 1gm0 n GLU 42 Cb 0.49 -1.46 -0.03 0.00 0.27 0.00 0.00 31.44 30.71 1gm0 n GLU 42 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1gm0 s ILE 43 N 0.85 3.42 -0.02 6.31 -1.09 -1.26 -4.73 121.20 124.68 1gm0 s ILE 43 Ca 0.24 0.35 0.06 0.00 -2.23 0.00 0.00 60.65 59.08 1gm0 s ILE 43 Cb 0.12 -3.80 0.10 0.00 -1.58 0.00 0.00 42.46 37.29 1gm0 s ILE 43 CO 0.00 -0.67 1.05 0.29 -1.23 0.00 0.00 174.94 174.38 1gm0 n LYS 44 N 8.81 0.23 -1.33 2.79 4.76 -1.26 -4.93 118.16 127.23 1gm0 n LYS 44 Ca 0.22 -1.40 -0.31 0.00 -2.87 0.00 0.00 58.31 53.95 1gm0 n LYS 44 Cb 0.50 -0.62 0.10 0.00 -1.84 0.00 0.00 35.03 33.17 1gm0 n LYS 44 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1gm0 s ASN 45 N -1.44 4.36 0.14 4.39 2.47 -1.26 -4.96 114.94 118.64 1gm0 s ASN 45 Ca 0.09 1.64 -0.18 0.00 0.42 0.00 0.00 52.86 54.84 1gm0 s ASN 45 Cb 0.09 -2.37 0.01 0.00 -1.45 0.00 0.00 41.25 37.54 1gm0 s ASN 45 CO -0.02 -2.10 1.76 0.03 -3.72 0.00 0.00 177.10 173.05 1gm0 h ARG 46 N -1.18 0.26 0.00 0.43 3.08 -1.98 -2.74 114.38 112.25 1gm0 h ARG 46 Ca -0.46 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.55 1gm0 h ARG 46 Cb 1.25 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.23 1gm0 h ARG 46 CO 0.54 0.17 -0.13 0.93 -1.07 0.00 0.00 179.97 180.40 1gm0 h GLU 47 N 0.26 0.00 -0.91 0.04 5.08 -1.94 -0.02 114.58 117.10 1gm0 h GLU 47 Ca 0.13 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.54 1gm0 h GLU 47 Cb 0.08 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.27 1gm0 h GLU 47 CO -0.12 0.13 0.58 1.15 -1.00 0.00 0.00 179.01 179.76 1gm0 h THR 48 N 0.00 1.09 -0.39 1.13 2.02 -1.86 -0.93 112.91 113.97 1gm0 h THR 48 Ca -0.00 -0.37 -0.15 0.00 0.77 0.00 0.00 66.41 66.66 1gm0 h THR 48 Cb 0.44 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 1gm0 h THR 48 CO 0.02 0.20 -0.35 1.23 0.37 0.00 0.00 175.52 176.98 1gm0 h GLY 49 N 1.08 1.02 1.79 2.16 0.00 -1.09 -3.15 103.07 104.87 1gm0 h GLY 49 Ca 0.38 -1.02 -0.03 0.00 0.00 0.00 0.00 47.33 46.66 1gm0 h GLY 49 CO -0.15 0.92 -0.03 0.00 0.00 0.00 0.00 176.54 177.28 1gm0 h ALA 51 N 1.71 -1.34 -0.32 0.00 0.00 -1.16 -0.67 119.26 117.48 1gm0 h ALA 51 Ca 0.06 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.77 1gm0 h ALA 51 Cb 0.24 0.52 -0.08 0.00 0.00 0.00 0.00 17.79 18.47 1gm0 h ALA 51 CO 0.01 -1.25 -0.22 0.82 0.00 0.00 0.00 179.25 178.60 1gm0 h ILE 52 N -1.28 0.40 -0.90 0.00 2.04 -1.43 0.19 117.51 116.53 1gm0 h ILE 52 Ca -0.13 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 1gm0 h ILE 52 Cb 0.99 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 1gm0 h ILE 52 CO 0.20 0.00 0.56 -0.03 0.00 0.00 0.00 178.15 178.88 1gm0 h MET 53 N -0.19 1.21 -0.20 2.37 4.05 -0.94 -0.57 114.93 120.66 1gm0 h MET 53 Ca 0.16 -0.10 -0.17 0.00 -0.28 0.00 0.00 59.70 59.32 1gm0 h MET 53 Cb 0.45 -0.26 0.00 0.00 -0.80 0.00 0.00 31.60 30.99 1gm0 h MET 53 CO -0.43 0.83 -0.54 0.00 0.23 0.00 0.00 176.91 177.00 1gm0 h LEU 55 N 0.43 0.00 -1.82 0.00 3.38 0.29 -0.05 115.31 117.54 1gm0 h LEU 55 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1gm0 h LEU 55 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1gm0 h LEU 55 CO 0.12 0.03 0.20 0.77 0.09 0.00 0.00 178.44 179.65 1gm0 h SER 56 N 0.00 0.00 0.00 -0.43 4.64 -1.17 -1.70 113.55 114.89 1gm0 h SER 56 Ca -0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1gm0 h SER 56 Cb 0.08 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.09 1gm0 h SER 56 CO 0.00 0.00 -0.47 1.07 -0.87 0.00 0.00 176.83 176.56 1gm0 n THR 57 N -2.61 1.31 -1.47 2.95 5.66 -0.04 -4.57 114.28 115.51 1gm0 n THR 57 Ca -0.02 -1.99 0.06 0.00 -3.05 0.00 0.00 64.05 59.06 1gm0 n THR 57 Cb 0.24 0.13 0.11 0.00 -1.55 0.00 0.00 70.33 69.26 1gm0 n THR 57 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1gm0 n LYS 58 N -0.69 0.91 -0.01 1.09 4.76 -0.64 -4.88 118.16 118.70 1gm0 n LYS 58 Ca 0.12 -2.23 0.12 0.00 -2.87 0.00 0.00 58.31 53.45 1gm0 n LYS 58 Cb 0.77 -1.16 0.54 0.00 -1.84 0.00 0.00 35.03 33.34 1gm0 n LYS 58 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1gm0 h LEU 59 N 0.20 0.26 -0.87 -0.35 3.38 -1.81 0.31 115.31 116.43 1gm0 h LEU 59 Ca -0.01 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.01 1gm0 h LEU 59 Cb 1.16 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.80 1gm0 h LEU 59 CO 0.01 0.17 0.55 -0.55 0.09 0.00 0.00 178.44 178.70 1gm0 h ASN 60 N 0.30 0.88 -0.04 -0.43 -1.07 -1.90 0.37 115.58 113.68 1gm0 h ASN 60 Ca 0.22 0.01 -0.20 0.00 0.07 0.00 0.00 56.30 56.40 1gm0 h ASN 60 Cb 0.47 -0.18 0.00 0.00 -2.07 0.00 0.00 38.32 36.54 1gm0 h ASN 60 CO -0.05 0.58 -0.68 0.24 0.07 0.00 0.00 177.43 177.59 1gm0 h MET 61 N 1.02 0.67 -0.13 4.14 2.86 -1.33 -3.28 114.93 118.89 1gm0 h MET 61 Ca 0.37 -0.50 -0.08 0.00 -2.06 0.00 0.00 59.70 57.43 1gm0 h MET 61 Cb 0.11 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.86 1gm0 h MET 61 CO -0.15 1.12 -0.22 -0.07 1.06 0.00 0.00 176.91 178.65 1gm0 h LEU 62 N 0.48 0.42 -7.14 1.22 3.38 -1.17 -3.42 115.31 109.09 1gm0 h LEU 62 Ca -0.02 -0.54 -0.62 0.00 0.09 0.00 0.00 57.88 56.78 1gm0 h LEU 62 Cb 1.28 -0.12 -0.41 0.00 0.09 0.00 0.00 40.66 41.50 1gm0 h LEU 62 CO 0.13 0.88 -0.62 -0.62 0.09 0.00 0.00 178.44 178.30 1gm0 s ASP 63 N -6.26 4.40 0.41 -0.43 -1.08 0.10 -2.87 116.67 110.93 1gm0 s ASP 63 Ca -0.14 -3.45 0.15 0.00 -0.52 0.00 0.00 52.55 48.59 1gm0 s ASP 63 Cb 0.05 -1.53 0.87 0.00 -1.46 0.00 0.00 42.92 40.85 1gm0 s ASP 63 CO 0.77 -0.15 1.89 1.55 0.52 0.00 0.00 175.17 179.75 1gm0 h PRO 64 N 5.86 0.00 0.00 4.34 0.13 -1.81 -2.02 132.00 138.50 1gm0 h PRO 64 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1gm0 h PRO 64 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1gm0 h PRO 64 CO 0.67 0.30 0.00 0.93 -0.23 0.00 0.00 178.00 179.67 1gm0 h GLU 65 N 0.00 0.00 -3.19 0.86 5.08 -1.92 -3.47 114.58 111.94 1gm0 h GLU 65 Ca -0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.19 1gm0 h GLU 65 Cb 0.55 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.86 1gm0 h GLU 65 CO 0.04 0.00 -0.30 0.41 -1.00 0.00 0.00 179.01 178.16 1gm0 n GLY 66 N 0.25 0.26 0.12 -3.84 0.00 -0.76 -4.98 105.19 96.24 1gm0 n GLY 66 Ca 0.02 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 1gm0 n GLY 66 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1gm0 h ASN 67 N -1.09 0.35 -3.39 1.61 2.35 -1.92 -3.46 115.58 110.03 1gm0 h ASN 67 Ca -0.25 -0.87 -0.52 0.00 -0.55 0.00 0.00 56.30 54.11 1gm0 h ASN 67 Cb 1.16 -0.11 0.02 0.00 0.05 0.00 0.00 38.32 39.43 1gm0 h ASN 67 CO 0.23 1.50 0.57 -0.22 -1.65 0.00 0.00 177.43 177.87 1gm0 s LEU 68 N -7.72 4.43 0.17 1.61 2.96 -1.26 -3.77 118.68 115.10 1gm0 s LEU 68 Ca -0.19 2.20 -0.01 0.00 -0.22 0.00 0.00 54.13 55.92 1gm0 s LEU 68 Cb 0.03 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.08 1gm0 s LEU 68 CO 0.76 -0.41 0.10 -1.00 -1.32 0.00 0.00 176.35 174.48 1gm0 s HIS 69 N 0.24 1.04 -0.06 5.38 3.76 -1.17 -4.91 115.29 119.56 1gm0 s HIS 69 Ca 0.55 -1.32 -0.30 0.00 -0.15 0.00 0.00 55.06 53.84 1gm0 s HIS 69 Cb -0.32 -0.53 -0.03 0.00 1.11 0.00 0.00 32.58 32.81 1gm0 s HIS 69 CO 0.35 -0.59 1.12 -1.58 -0.85 0.00 0.00 174.74 173.19 1gm0 s HIS 70 N -4.11 3.34 0.00 1.40 2.46 -1.26 -2.80 115.29 114.32 1gm0 s HIS 70 Ca 0.33 1.37 0.00 0.00 0.47 0.00 0.00 55.06 57.23 1gm0 s HIS 70 Cb 0.07 -3.33 0.00 0.00 -0.13 0.00 0.00 32.58 29.19 1gm0 s HIS 70 CO 0.08 -0.88 0.00 0.41 -2.47 0.00 0.00 174.74 171.88 1gm0 n GLY 71 N 3.24 0.20 2.41 1.59 0.00 0.72 -4.89 105.19 108.46 1gm0 n GLY 71 Ca 0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 1gm0 n GLY 71 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1gm0 n ASN 72 N -0.53 -1.04 -0.35 1.61 5.15 -1.12 -4.96 115.26 114.02 1gm0 n ASN 72 Ca 0.00 -2.93 0.12 0.00 -0.60 0.00 0.00 54.58 51.18 1gm0 n ASN 72 Cb 0.26 0.33 0.55 0.00 -0.53 0.00 0.00 39.78 40.39 1gm0 n ASN 72 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gm0 n ALA 73 N 1.52 2.58 -0.11 5.20 0.00 -1.26 -3.02 120.51 125.43 1gm0 n ALA 73 Ca 0.16 -0.38 -0.11 0.00 0.00 0.00 0.00 53.44 53.12 1gm0 n ALA 73 Cb 0.57 -1.22 0.03 0.00 0.00 0.00 0.00 19.45 18.83 1gm0 n ALA 73 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1gm0 h MET 74 N 1.53 0.88 -0.13 0.00 2.86 -1.93 0.23 114.93 118.37 1gm0 h MET 74 Ca 0.00 -0.40 -0.01 0.00 -2.06 0.00 0.00 59.70 57.22 1gm0 h MET 74 Cb 0.33 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 1gm0 h MET 74 CO 0.00 1.05 0.03 0.93 1.06 0.00 0.00 176.91 179.98 1gm0 h GLU 75 N 0.75 0.21 -0.92 1.72 4.39 -1.81 0.24 114.58 119.17 1gm0 h GLU 75 Ca 0.08 -0.05 0.05 0.00 0.34 0.00 0.00 59.36 59.78 1gm0 h GLU 75 Cb 0.85 -0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 29.42 1gm0 h GLU 75 CO 0.07 0.39 0.60 0.35 -1.16 0.00 0.00 179.01 179.26 1gm0 h PHE 76 N 0.00 1.09 -0.12 4.33 3.57 -1.51 -2.40 116.94 121.90 1gm0 h PHE 76 Ca 0.04 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.38 1gm0 h PHE 76 Cb 0.28 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 38.65 1gm0 h PHE 76 CO 0.01 0.61 -0.71 0.00 -2.23 0.00 0.00 178.31 175.99 1gm0 h ALA 77 N 1.48 0.53 -0.70 2.41 0.00 -0.24 -2.98 119.26 119.77 1gm0 h ALA 77 Ca 0.38 -0.59 0.07 0.00 0.00 0.00 0.00 54.91 54.77 1gm0 h ALA 77 Cb 0.09 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1gm0 h ALA 77 CO -0.13 0.73 0.46 0.87 0.00 0.00 0.00 179.25 181.18 1gm0 h LYS 78 N 0.39 0.68 -0.31 0.00 1.79 -0.12 -0.03 116.57 118.97 1gm0 h LYS 78 Ca -0.03 -0.04 0.09 0.00 -2.18 0.00 0.00 60.65 58.49 1gm0 h LYS 78 Cb 1.30 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.78 1gm0 h LYS 78 CO 0.13 0.45 0.29 0.87 -1.08 0.00 0.00 179.45 180.11 1gm0 h LYS 79 N 0.70 0.00 -0.43 3.15 1.57 -1.28 -0.62 116.57 119.66 1gm0 h LYS 79 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1gm0 h LYS 79 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1gm0 h LYS 79 CO -0.10 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.50 1gm0 n HIS 80 N -3.98 0.56 -0.86 -1.35 8.25 -0.09 -4.97 115.22 112.79 1gm0 n HIS 80 Ca 0.05 -0.42 0.00 0.00 -0.26 0.00 0.00 57.72 57.09 1gm0 n HIS 80 Cb 0.45 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.54 1gm0 n HIS 80 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1gm0 n GLY 81 N 0.97 0.53 3.76 -1.41 0.00 -0.24 -4.90 105.19 103.89 1gm0 n GLY 81 Ca 0.16 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 1gm0 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gm0 s ALA 82 N -2.00 3.52 0.69 4.61 0.00 -0.81 -4.96 121.76 122.80 1gm0 s ALA 82 Ca 0.00 1.24 -0.01 0.00 0.00 0.00 0.00 51.96 53.19 1gm0 s ALA 82 Cb 0.00 -3.48 0.12 0.00 0.00 0.00 0.00 23.12 19.76 1gm0 s ALA 82 CO 0.00 -0.62 0.84 -0.40 0.00 0.00 0.00 175.76 175.57 1gm0 n ASP 83 N 1.26 1.07 -0.31 0.00 5.68 -1.26 -3.63 116.55 119.36 1gm0 n ASP 83 Ca 0.02 -1.91 -0.04 0.00 -0.50 0.00 0.00 54.79 52.36 1gm0 n ASP 83 Cb 0.42 -0.55 0.08 0.00 -1.14 0.00 0.00 41.12 39.93 1gm0 n ASP 83 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1gm0 h GLU 84 N 0.00 1.13 -0.29 0.11 4.81 -1.97 -1.10 114.58 117.27 1gm0 h GLU 84 Ca -0.28 -0.08 -0.19 0.00 -0.13 0.00 0.00 59.36 58.69 1gm0 h GLU 84 Cb 1.00 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1gm0 h GLU 84 CO 0.29 0.76 -0.55 1.15 -0.73 0.00 0.00 179.01 179.93 1gm0 h THR 85 N 1.16 1.27 -0.35 0.32 2.02 -1.98 0.94 112.91 116.29 1gm0 h THR 85 Ca 0.31 -1.73 0.01 0.00 0.77 0.00 0.00 66.41 65.77 1gm0 h THR 85 Cb -0.11 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 1gm0 h THR 85 CO -0.06 0.57 0.21 0.24 0.37 0.00 0.00 175.52 176.84 1gm0 h MET 86 N 0.68 0.42 0.27 6.66 2.86 -1.90 -0.06 114.93 123.86 1gm0 h MET 86 Ca 0.01 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1gm0 h MET 86 Cb 1.16 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.73 1gm0 h MET 86 CO 0.12 0.28 -0.13 0.00 1.06 0.00 0.00 176.91 178.24 1gm0 h ALA 87 N 1.15 -0.36 -0.79 6.32 0.00 -1.07 -2.86 119.26 121.66 1gm0 h ALA 87 Ca 0.14 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1gm0 h ALA 87 Cb -0.01 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1gm0 h ALA 87 CO -0.06 -0.67 0.52 0.37 0.00 0.00 0.00 179.25 179.41 1gm0 h GLN 88 N -0.42 0.89 -0.09 0.00 5.75 -0.63 0.63 115.11 121.24 1gm0 h GLN 88 Ca -0.04 -0.05 0.04 0.00 -0.15 0.00 0.00 58.65 58.45 1gm0 h GLN 88 Cb 0.32 -0.20 -0.06 0.00 1.07 0.00 0.00 27.48 28.61 1gm0 h GLN 88 CO 0.06 0.59 -0.29 1.96 -2.65 0.00 0.00 178.83 178.50 1gm0 h GLN 89 N 0.92 -0.37 -0.42 1.69 1.08 -0.95 0.22 115.11 117.28 1gm0 h GLN 89 Ca 0.33 0.03 -0.11 0.00 -1.45 0.00 0.00 58.65 57.44 1gm0 h GLN 89 Cb 0.13 0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 1gm0 h GLN 89 CO -0.10 -0.25 -0.17 -0.07 -0.95 0.00 0.00 178.83 177.28 1gm0 h LEU 90 N -0.39 0.80 -0.61 1.46 3.38 -0.83 -2.28 115.31 116.84 1gm0 h LEU 90 Ca 0.09 -0.27 -0.15 0.00 0.09 0.00 0.00 57.88 57.64 1gm0 h LEU 90 Cb 0.52 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1gm0 h LEU 90 CO -0.31 0.97 -0.53 0.40 0.09 0.00 0.00 178.44 179.06 1gm0 h ILE 91 N 0.70 1.33 -0.44 1.22 2.04 -0.80 0.13 117.51 121.70 1gm0 h ILE 91 Ca 0.11 -1.79 0.03 0.00 1.00 0.00 0.00 64.86 64.21 1gm0 h ILE 91 Cb 0.68 1.79 -0.03 0.00 -0.74 0.00 0.00 36.82 38.51 1gm0 h ILE 91 CO 0.05 0.55 0.24 -0.78 0.00 0.00 0.00 178.15 178.21 1gm0 h ASP 92 N 0.35 0.37 -0.54 1.72 3.58 -0.76 -2.58 116.42 118.55 1gm0 h ASP 92 Ca 0.01 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.45 1gm0 h ASP 92 Cb 1.04 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 42.01 1gm0 h ASP 92 CO 0.09 0.26 0.25 0.40 -2.88 0.00 0.00 179.24 177.37 1gm0 h ILE 93 N 0.48 1.20 -0.27 2.25 2.04 -0.94 0.66 117.51 122.94 1gm0 h ILE 93 Ca 0.18 -0.59 0.06 0.00 1.00 0.00 0.00 64.86 65.52 1gm0 h ILE 93 Cb 0.06 0.59 -0.07 0.00 -0.74 0.00 0.00 36.82 36.66 1gm0 h ILE 93 CO -0.11 0.23 -0.21 0.58 0.00 0.00 0.00 178.15 178.64 1gm0 h VAL 94 N 0.73 0.43 -0.07 1.67 2.07 -0.40 0.11 116.25 120.79 1gm0 h VAL 94 Ca 0.18 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.51 1gm0 h VAL 94 Cb 0.14 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1gm0 h VAL 94 CO -0.02 0.00 -0.78 0.45 0.02 0.00 0.00 177.57 177.24 1gm0 h HIS 95 N -0.20 0.60 -0.01 1.57 3.86 -1.40 -1.24 115.15 118.33 1gm0 h HIS 95 Ca 0.15 -0.28 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 1gm0 h HIS 95 Cb 0.43 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 28.81 1gm0 h HIS 95 CO -0.39 1.05 0.01 0.78 0.86 0.00 0.00 177.93 180.25 1gm0 h GLY 96 N 1.22 0.00 0.32 2.45 0.00 -0.12 -0.56 103.07 106.38 1gm0 h GLY 96 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.06 1gm0 h GLY 96 CO 0.14 0.00 -2.00 0.00 0.00 0.00 0.00 176.54 174.67 1gm0 h GLU 98 N 0.00 0.59 0.44 0.00 5.08 -0.68 -1.54 114.58 118.47 1gm0 h GLU 98 Ca -0.31 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.00 1gm0 h GLU 98 Cb 1.78 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.90 1gm0 h GLU 98 CO 0.03 0.39 -0.21 0.87 -1.00 0.00 0.00 179.01 179.09 1gm0 h LYS 99 N 0.61 -0.57 0.00 2.33 1.57 -1.15 -3.22 116.57 116.14 1gm0 h LYS 99 Ca 0.29 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1gm0 h LYS 99 Cb 0.21 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1gm0 h LYS 99 CO -0.20 -0.30 0.00 -1.13 -0.57 0.00 0.00 179.45 177.25 1gm0 n SER 100 N -5.28 0.00 -4.68 0.86 3.41 -0.85 -4.56 113.62 102.52 1gm0 n SER 100 Ca -0.11 0.22 -0.41 0.00 -0.26 0.00 0.00 58.87 58.30 1gm0 n SER 100 Cb 0.28 -0.41 -0.04 0.00 -0.26 0.00 0.00 64.21 63.79 1gm0 n SER 100 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1gm0 s THR 101 N -2.81 4.87 0.23 6.66 2.01 -0.58 -5.03 115.64 121.00 1gm0 s THR 101 Ca 0.20 1.71 -0.30 0.00 0.31 0.00 0.00 61.69 63.62 1gm0 s THR 101 Cb 0.19 -4.17 -0.10 0.00 0.01 0.00 0.00 72.50 68.44 1gm0 s THR 101 CO 0.50 0.04 1.43 -2.16 -0.69 0.00 0.00 174.62 173.74 1gm0 s PRO 102 N 1.97 4.28 -0.76 4.92 0.04 -1.26 -4.85 135.00 139.34 1gm0 s PRO 102 Ca 0.41 2.26 -0.25 0.00 0.04 0.00 0.00 61.00 63.46 1gm0 s PRO 102 Cb -0.17 -3.13 -0.16 0.00 0.04 0.00 0.00 34.50 31.08 1gm0 s PRO 102 CO 0.14 -0.41 2.46 0.00 0.04 0.00 0.00 177.00 179.23 1gm0 n ALA 103 N 2.52 0.61 -1.97 8.56 0.00 -1.26 -4.88 120.51 124.09 1gm0 n ALA 103 Ca 0.07 -0.85 -0.36 0.00 0.00 0.00 0.00 53.44 52.31 1gm0 n ALA 103 Cb 0.41 -2.87 -0.06 0.00 0.00 0.00 0.00 19.45 16.93 1gm0 n ALA 103 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1gm0 s ASN 104 N 9.38 7.11 0.44 0.00 3.84 -1.26 -4.98 114.94 129.47 1gm0 s ASN 104 Ca 1.12 1.57 0.26 0.00 0.21 0.00 0.00 52.86 56.02 1gm0 s ASN 104 Cb -0.55 -2.48 1.29 0.00 -0.55 0.00 0.00 41.25 38.96 1gm0 s ASN 104 CO 0.33 -0.06 1.73 -0.78 -2.79 0.00 0.00 177.10 175.53 1gm0 h ASP 105 N 3.06 0.30 -3.43 -4.21 3.58 -2.02 -3.40 116.42 110.30 1gm0 h ASP 105 Ca -0.48 0.08 -0.66 0.00 0.42 0.00 0.00 57.03 56.39 1gm0 h ASP 105 Cb 1.19 0.04 -0.28 0.00 1.72 0.00 0.00 39.33 42.00 1gm0 h ASP 105 CO 0.65 -0.00 -0.72 -0.62 -2.88 0.00 0.00 179.24 175.67 1gm0 s ASP 106 N -5.00 4.38 0.30 2.28 -1.08 -1.26 -5.02 116.67 111.27 1gm0 s ASP 106 Ca -0.08 -0.45 0.04 0.00 -0.52 0.00 0.00 52.55 51.54 1gm0 s ASP 106 Cb 0.26 -1.75 0.49 0.00 -1.46 0.00 0.00 42.92 40.46 1gm0 s ASP 106 CO 0.81 -0.04 1.76 0.50 0.52 0.00 0.00 175.17 178.71 1gm0 h LYS 107 N 8.12 0.40 -0.12 4.34 1.63 -1.99 -0.90 116.57 128.04 1gm0 h LYS 107 Ca -0.40 -0.14 -0.00 0.00 -0.85 0.00 0.00 60.65 59.26 1gm0 h LYS 107 Cb 1.15 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.75 1gm0 h LYS 107 CO 0.60 0.62 0.07 0.00 -3.45 0.00 0.00 179.45 177.30 1gm0 h ILE 109 N 0.13 1.27 0.31 0.00 2.04 -1.68 0.73 117.51 120.31 1gm0 h ILE 109 Ca 0.04 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.69 1gm0 h ILE 109 Cb 0.03 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 1gm0 h ILE 109 CO -0.01 0.42 -0.49 -0.25 0.00 0.00 0.00 178.15 177.82 1gm0 h TRP 110 N 0.76 -1.38 -0.98 1.37 7.01 -1.13 -1.68 115.95 119.93 1gm0 h TRP 110 Ca 0.13 0.02 0.16 0.00 2.11 0.00 0.00 58.89 61.31 1gm0 h TRP 110 Cb 0.64 0.56 -0.09 0.00 -2.10 0.00 0.00 29.16 28.17 1gm0 h TRP 110 CO 0.05 -0.61 0.61 1.15 -2.79 0.00 0.00 178.44 176.85 1gm0 h THR 111 N -0.85 0.79 -0.38 2.65 2.02 -0.52 0.14 112.91 116.76 1gm0 h THR 111 Ca -0.03 -0.27 -0.14 0.00 0.77 0.00 0.00 66.41 66.74 1gm0 h THR 111 Cb 0.80 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1gm0 h THR 111 CO -0.17 0.15 -0.32 0.25 0.37 0.00 0.00 175.52 175.80 1gm0 h LEU 112 N 0.80 0.88 -0.22 2.58 7.12 -0.71 0.75 115.31 126.50 1gm0 h LEU 112 Ca 0.52 -0.37 -0.00 0.00 0.13 0.00 0.00 57.88 58.16 1gm0 h LEU 112 Cb 0.77 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 40.64 1gm0 h LEU 112 CO -0.30 1.12 0.13 1.23 -0.13 0.00 0.00 178.44 180.49 1gm0 h GLY 113 N 0.90 0.32 0.97 3.75 0.00 0.04 -0.79 103.07 108.25 1gm0 h GLY 113 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1gm0 h GLY 113 CO 0.08 0.13 0.03 -2.08 0.00 0.00 0.00 176.54 174.71 1gm0 h VAL 114 N 0.26 1.00 -0.95 4.60 2.07 -0.64 -1.06 116.25 121.53 1gm0 h VAL 114 Ca 0.08 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.61 1gm0 h VAL 114 Cb 0.04 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 1gm0 h VAL 114 CO -0.01 0.01 0.62 0.00 0.02 0.00 0.00 177.57 178.21 1gm0 h ALA 115 N 1.04 1.25 -0.14 1.67 0.00 -0.74 0.18 119.26 122.51 1gm0 h ALA 115 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1gm0 h ALA 115 Cb 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1gm0 h ALA 115 CO -0.02 0.50 0.09 1.15 0.00 0.00 0.00 179.25 180.97 1gm0 h THR 116 N 1.20 1.06 -0.28 0.00 2.02 -0.92 -2.70 112.91 113.28 1gm0 h THR 116 Ca 0.37 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 67.44 1gm0 h THR 116 Cb -0.01 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 1gm0 h THR 116 CO -0.12 0.05 0.16 0.00 0.37 0.00 0.00 175.52 175.98 1gm0 h PHE 118 N 0.33 -1.49 -0.82 0.00 3.04 -0.54 -1.38 116.94 116.07 1gm0 h PHE 118 Ca 0.11 0.03 0.18 0.00 3.98 0.00 0.00 57.97 62.27 1gm0 h PHE 118 Cb 0.00 0.61 -0.11 0.00 2.56 0.00 0.00 35.95 39.01 1gm0 h PHE 118 CO -0.08 -0.64 0.32 -0.22 -2.02 0.00 0.00 178.31 175.67 1gm0 h LYS 119 N -0.87 0.39 -0.49 1.11 3.64 -1.46 0.23 116.57 119.11 1gm0 h LYS 119 Ca -0.03 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1gm0 h LYS 119 Cb 0.82 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.51 1gm0 h LYS 119 CO -0.19 0.26 0.28 0.00 -2.27 0.00 0.00 179.45 177.53 1gm0 h ALA 120 N 1.64 0.63 -0.03 5.00 0.00 -0.70 -2.66 119.26 123.14 1gm0 h ALA 120 Ca 0.48 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.28 1gm0 h ALA 120 Cb 0.84 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1gm0 h ALA 120 CO -0.48 -0.03 -0.51 0.93 0.00 0.00 0.00 179.25 179.15 1gm0 h GLU 121 N 0.56 0.07 -0.93 0.00 4.39 0.04 -2.36 114.58 116.34 1gm0 h GLU 121 Ca 0.20 -0.04 0.10 0.00 0.34 0.00 0.00 59.36 59.97 1gm0 h GLU 121 Cb 0.05 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.63 1gm0 h GLU 121 CO -0.11 0.56 0.60 0.82 -1.16 0.00 0.00 179.01 179.72 1gm0 h ILE 122 N 0.05 0.96 0.00 3.13 2.04 -0.88 0.03 117.51 122.85 1gm0 h ILE 122 Ca -0.00 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1gm0 h ILE 122 Cb 0.92 -0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.94 1gm0 h ILE 122 CO 0.07 0.17 -0.05 -0.74 0.00 0.00 0.00 178.15 177.60 1gm0 h HIS 123 N 0.94 0.00 0.00 1.37 2.76 -1.11 -1.19 115.15 117.92 1gm0 h HIS 123 Ca 0.44 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.61 1gm0 h HIS 123 Cb 0.42 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.38 1gm0 h HIS 123 CO -0.00 0.05 -0.33 0.87 -1.30 0.00 0.00 177.93 177.21 1gm0 h LYS 124 N 0.00 0.00 -7.23 5.26 1.57 -0.98 -3.46 116.57 111.73 1gm0 h LYS 124 Ca -0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 1gm0 h LYS 124 Cb 0.11 0.00 0.14 0.00 0.08 0.00 0.00 32.23 32.55 1gm0 h LYS 124 CO 0.01 0.00 0.34 -0.51 -0.57 0.00 0.00 179.45 178.72 1gm0 s LEU 125 N -5.34 3.21 0.37 2.94 1.43 -0.45 -4.94 118.68 115.89 1gm0 s LEU 125 Ca 0.06 2.09 0.20 0.00 -1.03 0.00 0.00 54.13 55.45 1gm0 s LEU 125 Cb 0.09 -4.56 0.41 0.00 0.03 0.00 0.00 46.19 42.16 1gm0 s LEU 125 CO 0.69 -2.13 1.61 -0.55 0.23 0.00 0.00 176.35 176.20 1gm0 h ASN 126 N -0.61 0.00 -4.99 2.29 -1.07 -1.89 -3.46 115.58 105.85 1gm0 h ASN 126 Ca -0.46 0.00 -0.41 0.00 0.07 0.00 0.00 56.30 55.50 1gm0 h ASN 126 Cb 1.26 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 37.47 1gm0 h ASN 126 CO 0.50 0.29 -0.22 -2.67 0.07 0.00 0.00 177.43 175.41 1gm0 n TRP 127 N -3.24 -0.56 -3.72 4.14 4.27 -1.26 -5.15 117.44 111.92 1gm0 n TRP 127 Ca 0.02 -1.63 -0.23 0.00 -3.89 0.00 0.00 57.50 51.77 1gm0 n TRP 127 Cb 0.59 -0.30 -0.18 0.00 -1.36 0.00 0.00 31.31 30.07 1gm0 n TRP 127 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1gm0 s ALA 128 N -2.56 0.56 0.81 -1.67 0.00 -1.26 -4.93 121.76 112.72 1gm0 s ALA 128 Ca 0.18 -0.11 -0.10 0.00 0.00 0.00 0.00 51.96 51.92 1gm0 s ALA 128 Cb -0.01 -0.79 0.08 0.00 0.00 0.00 0.00 23.12 22.40 1gm0 s ALA 128 CO 0.11 -0.62 1.10 -2.14 0.00 0.00 0.00 175.76 174.21 1gm0 s PRO 129 N 2.04 1.90 0.95 0.00 0.02 -1.26 -5.06 135.00 133.60 1gm0 s PRO 129 Ca 0.04 1.22 -0.11 0.00 0.02 0.00 0.00 61.00 62.17 1gm0 s PRO 129 Cb -0.13 -1.85 0.17 0.00 0.02 0.00 0.00 34.50 32.70 1gm0 s PRO 129 CO -0.05 -1.91 1.11 -1.54 -0.33 0.00 0.00 177.00 174.27 1gm0 s SER 130 N -3.24 2.71 0.27 2.53 1.04 -1.26 -4.86 113.70 110.89 1gm0 s SER 130 Ca 0.62 1.90 0.02 0.00 0.48 0.00 0.00 55.95 58.97 1gm0 s SER 130 Cb -0.18 -2.45 0.39 0.00 0.10 0.00 0.00 66.02 63.87 1gm0 s SER 130 CO 0.57 -3.19 1.72 0.24 0.98 0.00 0.00 173.24 173.55 1gm0 h MET 131 N -1.93 0.53 -0.20 4.02 2.86 -1.97 -1.26 114.93 116.98 1gm0 h MET 131 Ca -0.48 -0.20 0.05 0.00 -2.06 0.00 0.00 59.70 57.02 1gm0 h MET 131 Cb 1.28 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 32.84 1gm0 h MET 131 CO 0.46 0.72 -0.35 -0.44 1.06 0.00 0.00 176.91 178.37 1gm0 h ASP 132 N 0.47 -1.10 0.00 1.22 3.32 -1.97 -1.09 116.42 117.27 1gm0 h ASP 132 Ca 0.07 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1gm0 h ASP 132 Cb 0.66 0.47 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1gm0 h ASP 132 CO 0.05 -0.36 0.00 0.52 -1.72 0.00 0.00 179.24 177.72 1gm0 n VAL 133 N -5.42 0.00 0.30 -1.35 0.31 -1.20 -1.95 118.33 109.03 1gm0 n VAL 133 Ca -0.02 1.30 0.18 0.00 -0.01 0.00 0.00 64.34 65.78 1gm0 n VAL 133 Cb 0.34 -2.28 0.81 0.00 -0.91 0.00 0.00 33.84 31.80 1gm0 n VAL 133 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1gm0 h ALA 134 N -2.00 1.00 0.00 3.52 0.00 -1.16 0.17 119.26 120.79 1gm0 h ALA 134 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1gm0 h ALA 134 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1gm0 h ALA 134 CO 0.00 0.00 -1.33 0.28 0.00 0.00 0.00 179.25 178.20 1gm0 n VAL 135 N -2.86 0.06 -0.04 0.00 0.31 -0.42 -4.03 118.33 111.36 1gm0 n VAL 135 Ca -0.01 -0.25 -0.15 0.00 -0.01 0.00 0.00 64.34 63.93 1gm0 n VAL 135 Cb 0.19 0.40 -0.13 0.00 -0.91 0.00 0.00 33.84 33.39 1gm0 n VAL 135 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1gm0 h GLY 136 N 4.52 0.07 1.00 2.92 0.00 -0.08 -3.40 103.07 108.10 1gm0 h GLY 136 Ca 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.12 1gm0 h GLY 136 CO 0.00 0.15 0.25 0.83 0.00 0.00 0.00 176.54 177.77 1gm0 h GLU 137 N -0.82 0.94 0.00 4.80 5.08 -1.17 -2.54 114.58 120.87 1gm0 h GLU 137 Ca -0.03 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1gm0 h GLU 137 Cb 1.08 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1gm0 h GLU 137 CO 0.03 0.80 0.00 1.51 -1.00 0.00 0.00 179.01 180.35 1gm0 n ILE 138 N -4.43 1.23 -0.11 3.13 3.06 -1.26 -1.39 119.36 119.60 1gm0 n ILE 138 Ca 0.04 0.31 -0.18 0.00 -2.50 0.00 0.00 62.75 60.42 1gm0 n ILE 138 Cb 0.17 -1.31 -0.09 0.00 0.54 0.00 0.00 39.64 38.95 1gm0 n ILE 138 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 1gm0 n LEU 139 N -1.31 2.54 -0.32 9.51 4.77 -0.96 -3.65 117.00 127.57 1gm0 n LEU 139 Ca 0.00 0.01 0.20 0.00 -0.03 0.00 0.00 56.01 56.19 1gm0 n LEU 139 Cb 0.00 -0.71 0.46 0.00 -2.33 0.00 0.00 43.42 40.85 1gm0 n LEU 139 CO 0.00 0.73 1.21 0.00 -1.33 0.00 0.00 177.39 178.00 1gm0 h ALA 140 N -0.26 2.08 0.00 -1.18 0.00 -1.15 -3.38 119.26 115.38 1gm0 h ALA 140 Ca -0.50 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.31 1gm0 h ALA 140 Cb 1.65 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.42 1gm0 h ALA 140 CO -0.16 -0.49 -1.42 0.39 0.00 0.00 0.00 179.25 177.57 1gm0 n GLU 141 N -4.68 0.38 0.00 0.00 1.02 -1.02 -0.20 120.64 116.14 1gm0 n GLU 141 Ca 0.25 0.16 0.09 0.00 -0.02 0.00 0.00 57.16 57.64 1gm0 n GLU 141 Cb 0.80 -1.15 0.55 0.00 -0.02 0.00 0.00 31.44 31.62 1gm0 n GLU 141 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59