#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 3.55 -0.75 4.33 -0.21 -1.26 -5.03 119.66 120.30 1gm0 s GLN 2 Ca 0.00 -0.02 -0.00 0.00 0.02 0.00 0.00 55.36 55.36 1gm0 s GLN 2 Cb 0.00 -3.19 0.37 0.00 1.00 0.00 0.00 33.01 31.19 1gm0 s GLN 2 CO 0.00 0.75 1.83 0.39 -2.12 0.00 0.00 175.29 176.14 1gm0 n GLU 3 N 1.87 2.90 -3.34 2.91 -0.58 -1.26 -4.89 120.64 118.25 1gm0 n GLU 3 Ca -0.18 -3.72 -0.21 0.00 -0.42 0.00 0.00 57.16 52.63 1gm0 n GLU 3 Cb 0.54 -2.27 -0.02 0.00 -0.57 0.00 0.00 31.44 29.13 1gm0 n GLU 3 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1gm0 n VAL 4 N -0.55 -0.50 -0.43 2.62 3.14 -1.26 -4.79 118.33 116.56 1gm0 n VAL 4 Ca 0.51 0.00 0.04 0.00 -2.96 0.00 0.00 64.34 61.93 1gm0 n VAL 4 Cb 0.36 -1.06 0.05 0.00 -1.06 0.00 0.00 33.84 32.13 1gm0 n VAL 4 CO 0.00 0.00 0.00 1.15 -6.46 0.00 0.00 176.83 171.52 1gm0 n MET 5 N -3.42 2.28 -0.72 1.45 0.00 -1.26 -4.81 117.12 110.63 1gm0 n MET 5 Ca 0.01 -1.88 -0.31 0.00 0.00 0.00 0.00 57.70 55.52 1gm0 n MET 5 Cb 0.52 -1.17 0.17 0.00 0.00 0.00 0.00 33.22 32.73 1gm0 n MET 5 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 1gm0 s LYS 6 N -1.67 1.02 0.12 3.17 1.02 -1.26 -4.85 119.74 117.29 1gm0 s LYS 6 Ca 0.12 1.50 -0.35 0.00 0.02 0.00 0.00 55.97 57.26 1gm0 s LYS 6 Cb 0.10 -1.73 -0.17 0.00 -0.52 0.00 0.00 37.83 35.51 1gm0 s LYS 6 CO 0.01 -2.62 1.18 -1.71 -0.92 0.00 0.00 175.35 171.30 1gm0 n ASN 7 N -4.22 1.11 -2.60 2.83 5.15 -1.26 -4.09 115.26 112.17 1gm0 n ASN 7 Ca 0.11 1.14 -0.05 0.00 -0.60 0.00 0.00 54.58 55.18 1gm0 n ASN 7 Cb 0.52 -1.15 -0.04 0.00 -0.53 0.00 0.00 39.78 38.58 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 2.12 -6.10 0.17 1.20 -0.00 -1.26 -4.98 117.00 108.15 1gm0 n LEU 8 Ca 0.17 2.32 -0.12 0.00 -0.00 0.00 0.00 56.01 58.39 1gm0 n LEU 8 Cb 0.20 -3.21 -0.06 0.00 -0.00 0.00 0.00 43.42 40.35 1gm0 n LEU 8 CO 0.61 -3.93 0.51 -1.28 -0.00 0.00 0.00 177.39 173.30 1gm0 h SER 9 N 4.21 -0.91 -3.25 1.96 0.87 -1.88 -3.47 113.55 111.08 1gm0 h SER 9 Ca -0.50 0.08 -0.58 0.00 -1.23 0.00 0.00 61.79 59.56 1gm0 h SER 9 Cb 1.13 0.30 0.15 0.00 -0.44 0.00 0.00 62.40 63.55 1gm0 h SER 9 CO 0.01 -0.42 0.10 0.18 -0.53 0.00 0.00 176.83 176.17 1gm0 n LEU 10 N -4.35 2.84 -2.27 2.23 4.77 -1.26 -4.80 117.00 114.16 1gm0 n LEU 10 Ca -0.07 0.92 -0.16 0.00 -0.03 0.00 0.00 56.01 56.66 1gm0 n LEU 10 Cb 0.29 -1.35 -0.14 0.00 -2.33 0.00 0.00 43.42 39.89 1gm0 n LEU 10 CO 0.16 -1.76 1.91 -3.20 -1.33 0.00 0.00 177.39 173.17 1gm0 n ASN 11 N 0.04 5.66 0.19 -1.43 5.15 -1.17 -4.62 115.26 119.08 1gm0 n ASN 11 Ca 0.11 -2.46 0.03 0.00 -0.60 0.00 0.00 54.58 51.67 1gm0 n ASN 11 Cb 0.43 -1.39 0.37 0.00 -0.53 0.00 0.00 39.78 38.66 1gm0 n ASN 11 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 1gm0 h PHE 12 N 3.52 0.00 0.11 1.20 0.04 -1.89 -3.13 116.94 116.80 1gm0 h PHE 12 Ca 0.31 0.00 0.02 0.00 2.80 0.00 0.00 57.97 61.10 1gm0 h PHE 12 Cb 1.22 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.32 1gm0 h PHE 12 CO 1.78 0.38 -0.43 0.78 -0.60 0.00 0.00 178.31 180.22 1gm0 h GLY 13 N 1.28 -0.88 0.77 -1.45 0.00 -1.97 0.24 103.07 101.05 1gm0 h GLY 13 Ca -0.00 0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.85 1gm0 h GLY 13 CO 0.05 -0.27 -0.21 0.50 0.00 0.00 0.00 176.54 176.61 1gm0 h LYS 14 N -0.66 -0.44 -0.93 4.80 1.79 -1.95 -0.53 116.57 118.66 1gm0 h LYS 14 Ca 0.02 0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.54 1gm0 h LYS 14 Cb 0.69 0.10 -0.05 0.00 -1.58 0.00 0.00 32.23 31.39 1gm0 h LYS 14 CO -0.26 -0.29 0.61 0.00 -1.08 0.00 0.00 179.45 178.43 1gm0 h ALA 15 N 0.27 1.19 -0.64 3.86 0.00 -1.44 -0.56 119.26 121.94 1gm0 h ALA 15 Ca -0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1gm0 h ALA 15 Cb 0.42 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1gm0 h ALA 15 CO -0.04 0.55 0.29 -0.07 0.00 0.00 0.00 179.25 179.98 1gm0 h LEU 16 N 1.24 0.85 -1.45 0.00 3.38 -0.34 -0.07 115.31 118.91 1gm0 h LEU 16 Ca 0.35 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 1gm0 h LEU 16 Cb -0.11 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 1gm0 h LEU 16 CO -0.08 0.75 -0.24 -0.78 0.09 0.00 0.00 178.44 178.18 1gm0 h ASP 17 N 0.88 0.00 0.00 -0.43 1.82 0.01 0.15 116.42 118.85 1gm0 h ASP 17 Ca 0.22 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.86 1gm0 h ASP 17 Cb 0.14 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.15 1gm0 h ASP 17 CO -0.02 0.24 -0.00 -0.33 -1.61 0.00 0.00 179.24 177.52 1gm0 h GLU 18 N 0.00 -0.00 -0.95 0.28 5.08 -0.89 -3.31 114.58 114.80 1gm0 h GLU 18 Ca -0.00 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.49 1gm0 h GLU 18 Cb 0.58 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.74 1gm0 h GLU 18 CO 0.03 0.92 0.57 0.00 -1.00 0.00 0.00 179.01 179.53 1gm0 h LYS 20 N 0.85 1.21 0.00 0.00 5.09 -0.87 -2.34 116.57 120.52 1gm0 h LYS 20 Ca 0.49 -0.15 -0.12 0.00 0.09 0.00 0.00 60.65 60.96 1gm0 h LYS 20 Cb 0.58 -0.23 -0.02 0.00 0.10 0.00 0.00 32.23 32.66 1gm0 h LYS 20 CO -0.30 0.90 -0.57 0.87 -2.09 0.00 0.00 179.45 178.26 1gm0 h LYS 21 N 1.21 0.00 0.94 0.07 1.57 -1.13 -0.11 116.57 119.13 1gm0 h LYS 21 Ca 0.30 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.03 1gm0 h LYS 21 Cb 0.05 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.37 1gm0 h LYS 21 CO -0.05 0.57 -0.45 0.93 -0.57 0.00 0.00 179.45 179.88 1gm0 h GLU 22 N 0.00 -1.22 -0.23 3.15 5.08 -0.75 -3.18 114.58 117.44 1gm0 h GLU 22 Ca -0.01 0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1gm0 h GLU 22 Cb 1.05 0.28 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1gm0 h GLU 22 CO 0.07 -0.81 0.00 -1.33 -1.00 0.00 0.00 179.01 175.94 1gm0 n MET 23 N -5.62 1.91 -4.37 2.33 2.81 -1.07 -4.91 117.12 108.20 1gm0 n MET 23 Ca -0.16 -1.38 -0.38 0.00 -1.81 0.00 0.00 57.70 53.97 1gm0 n MET 23 Cb 0.50 -1.41 -0.06 0.00 -0.71 0.00 0.00 33.22 31.54 1gm0 n MET 23 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1gm0 n THR 24 N 0.60 -0.67 -0.53 2.03 5.66 -0.18 -4.97 114.28 116.22 1gm0 n THR 24 Ca 0.16 -0.09 -0.27 0.00 -3.05 0.00 0.00 64.05 60.80 1gm0 n THR 24 Cb 0.39 -1.11 0.19 0.00 -1.55 0.00 0.00 70.33 68.25 1gm0 n THR 24 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1gm0 n LEU 25 N -4.26 -1.66 -4.66 1.09 4.77 -0.43 -4.99 117.00 106.85 1gm0 n LEU 25 Ca 0.02 -0.35 -0.31 0.00 -0.03 0.00 0.00 56.01 55.35 1gm0 n LEU 25 Cb 0.51 -0.92 0.17 0.00 -2.33 0.00 0.00 43.42 40.85 1gm0 n LEU 25 CO 0.90 -3.41 0.67 0.42 -1.33 0.00 0.00 177.39 174.65 1gm0 s THR 26 N -2.17 2.03 0.00 -5.08 -4.23 -1.26 -4.88 115.64 100.06 1gm0 s THR 26 Ca 0.52 0.01 0.11 0.00 -1.18 0.00 0.00 61.69 61.15 1gm0 s THR 26 Cb -0.11 -2.02 -0.22 0.00 1.34 0.00 0.00 72.50 71.48 1gm0 s THR 26 CO 0.54 -0.01 0.84 -0.78 -0.54 0.00 0.00 174.62 174.66 1gm0 h ASP 27 N -1.93 0.00 -0.57 3.99 3.58 -1.97 -3.37 116.42 116.15 1gm0 h ASP 27 Ca -0.44 -0.00 0.17 0.00 0.42 0.00 0.00 57.03 57.17 1gm0 h ASP 27 Cb 1.27 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.30 1gm0 h ASP 27 CO 0.42 1.00 0.52 0.00 -2.88 0.00 0.00 179.24 178.30 1gm0 h ALA 28 N 1.00 2.37 -1.52 -0.78 0.00 -2.02 -0.24 119.26 118.07 1gm0 h ALA 28 Ca -0.21 -0.02 0.44 0.00 0.00 0.00 0.00 54.91 55.12 1gm0 h ALA 28 Cb 1.95 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.72 1gm0 h ALA 28 CO 0.09 -0.82 1.14 -0.84 0.00 0.00 0.00 179.25 178.83 1gm0 h ILE 29 N 0.00 0.18 -0.57 0.00 -0.00 -1.95 0.15 117.51 115.31 1gm0 h ILE 29 Ca 0.27 0.00 0.03 0.00 -0.00 0.00 0.00 64.86 65.16 1gm0 h ILE 29 Cb 1.32 0.19 -0.04 0.00 -0.00 0.00 0.00 36.82 38.30 1gm0 h ILE 29 CO -0.00 0.00 0.35 -1.13 -0.00 0.00 0.00 178.15 177.37 1gm0 h ASN 30 N 0.00 0.57 0.00 2.16 -0.73 -1.35 -2.16 115.58 114.07 1gm0 h ASN 30 Ca 0.72 0.00 -0.07 0.00 1.87 0.00 0.00 56.30 58.83 1gm0 h ASN 30 Cb 3.00 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 41.46 1gm0 h ASN 30 CO -0.01 0.40 -0.41 1.05 -0.37 0.00 0.00 177.43 178.09 1gm0 h GLU 31 N 0.69 0.00 -0.96 6.67 4.11 -1.49 -3.41 114.58 120.19 1gm0 h GLU 31 Ca 0.23 0.00 0.15 0.00 0.07 0.00 0.00 59.36 59.81 1gm0 h GLU 31 Cb 0.02 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.18 1gm0 h GLU 31 CO -0.10 0.80 0.61 0.22 0.07 0.00 0.00 179.01 180.61 1gm0 h ASP 32 N -1.00 0.78 -0.32 3.06 3.58 -0.64 0.44 116.42 122.32 1gm0 h ASP 32 Ca -0.10 0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.40 1gm0 h ASP 32 Cb 0.93 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.86 1gm0 h ASP 32 CO -0.06 0.38 0.19 0.15 -2.88 0.00 0.00 179.24 177.02 1gm0 h PHE 33 N 0.82 0.43 -0.19 0.28 3.57 -1.64 -0.69 116.94 119.52 1gm0 h PHE 33 Ca 0.49 -0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.79 1gm0 h PHE 33 Cb 0.68 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.29 1gm0 h PHE 33 CO -0.00 0.32 -0.67 1.88 -2.23 0.00 0.00 178.31 177.60 1gm0 h TYR 34 N 0.42 0.97 -0.41 0.41 -1.99 -0.86 -3.24 116.97 112.26 1gm0 h TYR 34 Ca 0.12 -0.39 0.01 0.00 2.00 0.00 0.00 58.73 60.47 1gm0 h TYR 34 Cb 0.02 -0.16 -0.02 0.00 2.00 0.00 0.00 36.73 38.56 1gm0 h TYR 34 CO -0.04 1.20 0.25 -0.91 -0.00 0.00 0.00 178.16 178.66 1gm0 h ASN 35 N 0.53 0.42 -0.62 3.88 2.35 -0.13 -3.08 115.58 118.92 1gm0 h ASN 35 Ca -0.02 -0.00 0.18 0.00 -0.55 0.00 0.00 56.30 55.91 1gm0 h ASN 35 Cb 1.28 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.53 1gm0 h ASN 35 CO 0.14 0.30 0.57 0.15 -1.65 0.00 0.00 177.43 176.94 1gm0 h PHE 36 N 0.51 0.00 0.00 1.19 3.57 -1.15 0.12 116.94 121.18 1gm0 h PHE 36 Ca 0.16 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1gm0 h PHE 36 Cb -0.02 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1gm0 h PHE 36 CO -0.06 0.00 0.00 -1.49 -2.23 0.00 0.00 178.31 174.53 1gm0 h TRP 37 N 0.00 0.00 -3.89 0.41 6.55 -1.71 -3.45 115.95 113.87 1gm0 h TRP 37 Ca 0.30 0.00 -0.47 0.00 0.95 0.00 0.00 58.89 59.66 1gm0 h TRP 37 Cb 1.44 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.73 1gm0 h TRP 37 CO 0.00 0.00 0.37 0.15 -1.05 0.00 0.00 178.44 177.91 1gm0 s LYS 38 N -3.35 4.53 0.79 0.49 1.02 0.43 -5.08 119.74 118.57 1gm0 s LYS 38 Ca 0.05 1.41 -0.09 0.00 0.02 0.00 0.00 55.97 57.35 1gm0 s LYS 38 Cb 0.09 -2.81 0.11 0.00 -0.52 0.00 0.00 37.83 34.70 1gm0 s LYS 38 CO 0.49 0.21 1.12 -1.21 -0.92 0.00 0.00 175.35 175.04 1gm0 s GLU 39 N -2.04 1.71 -1.54 1.68 2.02 -1.26 -4.24 118.70 115.02 1gm0 s GLU 39 Ca 0.51 -0.31 0.00 0.00 0.02 0.00 0.00 54.97 55.18 1gm0 s GLU 39 Cb -0.21 -2.06 0.00 0.00 0.10 0.00 0.00 34.13 31.96 1gm0 s GLU 39 CO 0.26 -1.62 0.00 0.41 0.02 0.00 0.00 175.26 174.33 1gm0 n GLY 40 N -3.20 0.34 2.68 -1.39 0.00 -1.26 -4.99 105.19 97.36 1gm0 n GLY 40 Ca 0.11 -0.20 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.76 0.29 -1.39 1.61 2.02 -1.26 -5.06 117.35 110.80 1gm0 s TYR 41 Ca 0.00 -0.05 -0.08 0.00 -0.37 0.00 0.00 57.07 56.57 1gm0 s TYR 41 Cb 0.00 -0.64 0.08 0.00 -0.40 0.00 0.00 41.96 41.00 1gm0 s TYR 41 CO 0.00 -0.33 2.36 -1.91 -1.57 0.00 0.00 175.55 174.10 1gm0 n GLU 42 N 5.24 3.95 -2.46 -0.62 2.13 -1.26 -4.92 120.64 122.70 1gm0 n GLU 42 Ca -0.05 -3.11 -0.42 0.00 0.66 0.00 0.00 57.16 54.24 1gm0 n GLU 42 Cb 0.50 -2.82 -0.03 0.00 0.27 0.00 0.00 31.44 29.36 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 0.47 3.85 -0.03 6.31 -1.09 -1.26 -4.75 121.20 124.70 1gm0 s ILE 43 Ca 0.53 0.73 0.04 0.00 -2.23 0.00 0.00 60.65 59.72 1gm0 s ILE 43 Cb 0.16 -4.56 0.06 0.00 -1.58 0.00 0.00 42.46 36.54 1gm0 s ILE 43 CO -0.06 -1.27 0.89 2.29 -1.23 0.00 0.00 174.94 175.56 1gm0 n LYS 44 N 8.64 1.14 -1.60 2.79 2.85 -1.26 -5.01 118.16 125.70 1gm0 n LYS 44 Ca 0.11 -1.34 -0.31 0.00 -1.05 0.00 0.00 58.31 55.71 1gm0 n LYS 44 Cb 0.49 -0.86 0.05 0.00 -0.65 0.00 0.00 35.03 34.06 1gm0 n LYS 44 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 1gm0 s ASN 45 N -1.13 5.36 0.07 -5.58 2.47 -1.26 -4.98 114.94 109.89 1gm0 s ASN 45 Ca 0.07 1.66 -0.31 0.00 0.42 0.00 0.00 52.86 54.70 1gm0 s ASN 45 Cb 0.06 -2.50 -0.16 0.00 -1.45 0.00 0.00 41.25 37.20 1gm0 s ASN 45 CO 0.01 -1.46 1.48 0.03 -3.72 0.00 0.00 177.10 173.44 1gm0 h ARG 46 N -0.60 -0.93 0.00 0.43 3.08 -1.96 -3.11 114.38 111.29 1gm0 h ARG 46 Ca -0.44 0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.67 1gm0 h ARG 46 Cb 1.21 0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.47 1gm0 h ARG 46 CO 0.56 -0.62 0.00 0.93 -1.07 0.00 0.00 179.97 179.78 1gm0 h GLU 47 N -0.96 0.00 0.28 0.04 3.07 -1.94 0.28 114.58 115.35 1gm0 h GLU 47 Ca -0.07 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.77 1gm0 h GLU 47 Cb 0.80 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.71 1gm0 h GLU 47 CO 0.02 0.00 -0.13 1.15 -1.40 0.00 0.00 179.01 178.65 1gm0 h THR 48 N 0.00 0.73 -0.44 1.13 2.02 -1.93 -0.08 112.91 114.33 1gm0 h THR 48 Ca 0.00 -0.03 -0.08 0.00 0.77 0.00 0.00 66.41 67.07 1gm0 h THR 48 Cb 0.00 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 1gm0 h THR 48 CO 0.00 0.01 -0.02 1.23 0.37 0.00 0.00 175.52 177.11 1gm0 h GLY 49 N -0.39 0.86 0.51 2.16 0.00 -0.56 -2.42 103.07 103.23 1gm0 h GLY 49 Ca -0.04 -0.65 0.08 0.00 0.00 0.00 0.00 47.33 46.73 1gm0 h GLY 49 CO 0.06 0.60 0.34 0.00 0.00 0.00 0.00 176.54 177.54 1gm0 h ALA 51 N 1.41 -0.00 0.00 0.00 0.00 -0.87 0.31 119.26 120.11 1gm0 h ALA 51 Ca 0.33 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.20 1gm0 h ALA 51 Cb 0.32 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1gm0 h ALA 51 CO -0.25 -0.43 -0.38 0.82 0.00 0.00 0.00 179.25 179.01 1gm0 h ILE 52 N -0.15 0.22 -0.61 0.00 2.04 -1.00 0.59 117.51 118.59 1gm0 h ILE 52 Ca -0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 1gm0 h ILE 52 Cb 0.15 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 1gm0 h ILE 52 CO 0.00 0.00 0.25 -0.03 0.00 0.00 0.00 178.15 178.37 1gm0 h MET 53 N -0.53 0.88 -0.31 2.37 4.05 -0.68 0.16 114.93 120.86 1gm0 h MET 53 Ca 0.05 -0.13 -0.01 0.00 -0.28 0.00 0.00 59.70 59.33 1gm0 h MET 53 Cb 0.62 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.24 1gm0 h MET 53 CO -0.29 0.72 0.14 0.00 0.23 0.00 0.00 176.91 177.71 1gm0 h LEU 55 N 0.37 0.00 -0.76 0.00 3.38 0.10 -2.14 115.31 116.27 1gm0 h LEU 55 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1gm0 h LEU 55 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1gm0 h LEU 55 CO -0.01 0.01 0.00 -1.54 0.09 0.00 0.00 178.44 176.98 1gm0 n SER 56 N -3.11 0.59 -0.36 -0.43 3.41 -0.42 -1.62 113.62 111.67 1gm0 n SER 56 Ca -0.01 0.67 0.06 0.00 -0.26 0.00 0.00 58.87 59.32 1gm0 n SER 56 Cb 0.20 -0.78 0.13 0.00 -0.26 0.00 0.00 64.21 63.49 1gm0 n SER 56 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1gm0 n THR 57 N -2.17 1.52 -0.90 6.66 5.66 -0.81 -4.47 114.28 119.77 1gm0 n THR 57 Ca 0.02 -1.53 0.08 0.00 -3.05 0.00 0.00 64.05 59.57 1gm0 n THR 57 Cb 0.19 0.14 0.12 0.00 -1.55 0.00 0.00 70.33 69.23 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 -0.52 1.59 -0.29 1.09 4.76 -0.64 -4.76 118.16 119.39 1gm0 n LYS 58 Ca 0.12 -2.42 0.17 0.00 -2.87 0.00 0.00 58.31 53.30 1gm0 n LYS 58 Cb 0.54 -1.43 0.44 0.00 -1.84 0.00 0.00 35.03 32.73 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 0.06 0.55 -2.49 -0.35 3.38 -1.78 0.28 115.31 114.96 1gm0 h LEU 59 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1gm0 h LEU 59 Cb 0.93 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1gm0 h LEU 59 CO 0.01 0.21 0.04 -0.55 0.09 0.00 0.00 178.44 178.23 1gm0 h ASN 60 N 0.55 0.00 0.55 -0.43 7.08 -1.85 -0.44 115.58 121.03 1gm0 h ASN 60 Ca 0.51 0.00 -0.22 0.00 -3.08 0.00 0.00 56.30 53.51 1gm0 h ASN 60 Cb 1.08 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 37.28 1gm0 h ASN 60 CO -0.25 0.00 -1.61 0.23 -2.08 0.00 0.00 177.43 173.72 1gm0 n MET 61 N -2.84 0.63 -0.04 4.14 2.81 0.08 -4.65 117.12 117.25 1gm0 n MET 61 Ca -0.02 0.22 -0.02 0.00 -1.81 0.00 0.00 57.70 56.07 1gm0 n MET 61 Cb 0.09 -1.77 -0.01 0.00 -0.71 0.00 0.00 33.22 30.83 1gm0 n MET 61 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1gm0 h LEU 62 N 0.00 0.00 -8.13 4.03 3.38 -1.08 -3.43 115.31 110.08 1gm0 h LEU 62 Ca -0.23 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.43 1gm0 h LEU 62 Cb 1.76 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.44 1gm0 h LEU 62 CO 0.05 0.42 1.47 -0.90 0.09 0.00 0.00 178.44 179.58 1gm0 n ASP 63 N -3.85 -0.04 0.03 -0.43 5.75 -0.71 -3.06 116.55 114.25 1gm0 n ASP 63 Ca -0.03 -0.64 -0.13 0.00 -0.01 0.00 0.00 54.79 53.99 1gm0 n ASP 63 Cb 0.09 -0.97 -0.09 0.00 -1.03 0.00 0.00 41.12 39.13 1gm0 n ASP 63 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 1gm0 h PRO 64 N 12.35 -0.09 0.00 0.11 0.13 -1.91 -2.96 132.00 139.63 1gm0 h PRO 64 Ca -0.01 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1gm0 h PRO 64 Cb 1.14 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1gm0 h PRO 64 CO 1.39 0.28 0.00 0.39 -0.23 0.00 0.00 178.00 179.83 1gm0 n GLU 65 N -4.96 0.45 -3.23 0.86 1.02 -1.26 -4.90 120.64 108.62 1gm0 n GLU 65 Ca -0.08 0.03 -0.16 0.00 -0.02 0.00 0.00 57.16 56.92 1gm0 n GLU 65 Cb 0.21 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.20 1gm0 n GLU 65 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1gm0 n GLY 66 N 0.96 -0.17 0.09 0.62 0.00 -1.12 -4.95 105.19 100.63 1gm0 n GLY 66 Ca 0.14 -0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.17 1gm0 n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1gm0 n ASN 67 N -2.17 1.40 -4.12 1.61 5.03 -1.26 -4.96 115.26 110.80 1gm0 n ASN 67 Ca -0.08 -1.30 -0.33 0.00 0.87 0.00 0.00 54.58 53.74 1gm0 n ASN 67 Cb 0.58 -0.01 -0.15 0.00 -1.02 0.00 0.00 39.78 39.18 1gm0 n ASN 67 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1gm0 s LEU 68 N -0.36 3.40 0.16 3.41 2.96 -1.26 -3.00 118.68 123.99 1gm0 s LEU 68 Ca 0.03 -1.23 0.02 0.00 -0.22 0.00 0.00 54.13 52.72 1gm0 s LEU 68 Cb 0.02 -1.60 -0.05 0.00 0.50 0.00 0.00 46.19 45.07 1gm0 s LEU 68 CO 0.03 -0.18 -0.01 -1.00 -1.32 0.00 0.00 176.35 173.87 1gm0 s HIS 69 N 1.18 1.17 -0.08 5.38 3.76 -0.28 -4.68 115.29 121.74 1gm0 s HIS 69 Ca -0.06 -1.00 -0.30 0.00 -0.15 0.00 0.00 55.06 53.55 1gm0 s HIS 69 Cb -0.19 -0.66 -0.05 0.00 1.11 0.00 0.00 32.58 32.79 1gm0 s HIS 69 CO -0.05 -0.20 1.63 -1.58 -0.85 0.00 0.00 174.74 173.68 1gm0 s HIS 70 N -3.65 2.05 -0.11 1.40 2.46 -1.26 -1.14 115.29 115.03 1gm0 s HIS 70 Ca 0.22 0.29 0.00 0.00 0.47 0.00 0.00 55.06 56.04 1gm0 s HIS 70 Cb 0.06 -3.89 0.00 0.00 -0.13 0.00 0.00 32.58 28.62 1gm0 s HIS 70 CO 0.03 -3.61 0.00 0.41 -2.47 0.00 0.00 174.74 169.10 1gm0 n GLY 71 N 4.15 0.31 2.52 1.59 0.00 -0.17 -4.91 105.19 108.68 1gm0 n GLY 71 Ca 0.17 -0.04 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.68 -1.08 1.61 2.85 -0.29 -4.92 115.26 111.22 1gm0 n ASN 72 Ca -0.01 -2.79 0.11 0.00 -0.11 0.00 0.00 54.58 51.78 1gm0 n ASN 72 Cb 0.30 0.57 0.26 0.00 1.24 0.00 0.00 39.78 42.15 1gm0 n ASN 72 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1gm0 n ALA 73 N 2.31 2.43 0.09 5.20 0.00 -1.23 -1.12 120.51 128.19 1gm0 n ALA 73 Ca 0.20 -0.96 -0.06 0.00 0.00 0.00 0.00 53.44 52.62 1gm0 n ALA 73 Cb 0.54 -0.93 0.03 0.00 0.00 0.00 0.00 19.45 19.10 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 3.96 0.13 0.08 0.00 2.86 -1.91 0.10 114.93 120.15 1gm0 h MET 74 Ca 0.00 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1gm0 h MET 74 Cb 0.88 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.58 1gm0 h MET 74 CO 0.00 0.87 -0.04 0.93 1.06 0.00 0.00 176.91 179.73 1gm0 h GLU 75 N 0.08 -0.10 -0.47 1.72 5.08 -1.84 -0.35 114.58 118.71 1gm0 h GLU 75 Ca -0.03 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.43 1gm0 h GLU 75 Cb 1.41 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 30.60 1gm0 h GLU 75 CO 0.12 0.23 -0.12 0.35 -1.00 0.00 0.00 179.01 178.59 1gm0 h PHE 76 N -0.45 -0.27 -0.05 4.33 3.57 -1.41 -1.52 116.94 121.14 1gm0 h PHE 76 Ca -0.01 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.57 1gm0 h PHE 76 Cb 0.38 0.19 -0.06 0.00 2.79 0.00 0.00 35.95 39.26 1gm0 h PHE 76 CO 0.04 -0.21 -0.37 0.00 -2.23 0.00 0.00 178.31 175.54 1gm0 h ALA 77 N 1.45 -0.53 -0.65 2.41 0.00 -0.75 -2.50 119.26 118.69 1gm0 h ALA 77 Ca 0.22 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.17 1gm0 h ALA 77 Cb 0.35 0.67 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 1gm0 h ALA 77 CO -0.49 -0.88 0.36 0.87 0.00 0.00 0.00 179.25 179.12 1gm0 h LYS 78 N -0.49 0.66 0.00 0.00 1.57 -0.42 0.25 116.57 118.14 1gm0 h LYS 78 Ca 0.07 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1gm0 h LYS 78 Cb 0.60 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 1gm0 h LYS 78 CO -0.32 0.44 -0.06 0.87 -0.57 0.00 0.00 179.45 179.80 1gm0 h LYS 79 N 0.68 0.00 -0.27 3.15 1.57 -0.99 -2.13 116.57 118.58 1gm0 h LYS 79 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1gm0 h LYS 79 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1gm0 h LYS 79 CO -0.17 0.06 0.00 0.72 -0.57 0.00 0.00 179.45 179.49 1gm0 n HIS 80 N -3.79 0.34 0.00 -1.35 8.25 -0.34 -4.95 115.22 113.38 1gm0 n HIS 80 Ca -0.02 -0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.22 1gm0 n HIS 80 Cb 0.16 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.26 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 1.13 1.01 3.38 -1.41 0.00 -0.59 -4.93 105.19 103.79 1gm0 n GLY 81 Ca 0.15 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.72 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 3.42 1.34 4.61 0.00 -0.07 -4.95 121.76 124.12 1gm0 s ALA 82 Ca 0.00 -2.17 -0.21 0.00 0.00 0.00 0.00 51.96 49.58 1gm0 s ALA 82 Cb 0.00 -3.48 0.32 0.00 0.00 0.00 0.00 23.12 19.96 1gm0 s ALA 82 CO 0.00 -2.27 0.93 -0.40 0.00 0.00 0.00 175.76 174.03 1gm0 n ASP 83 N 6.23 -2.96 -0.12 0.00 5.68 -1.26 -2.12 116.55 121.99 1gm0 n ASP 83 Ca -0.09 -0.99 -0.04 0.00 -0.50 0.00 0.00 54.79 53.16 1gm0 n ASP 83 Cb 0.43 -0.94 0.16 0.00 -1.14 0.00 0.00 41.12 39.63 1gm0 n ASP 83 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1gm0 h GLU 84 N 0.00 0.83 -0.15 0.11 5.08 -1.97 0.86 114.58 119.34 1gm0 h GLU 84 Ca -0.38 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 57.73 1gm0 h GLU 84 Cb 1.21 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 1gm0 h GLU 84 CO 0.24 0.80 -0.07 1.15 -1.00 0.00 0.00 179.01 180.12 1gm0 h THR 85 N 0.78 1.32 -0.59 1.13 2.02 -1.98 -1.74 112.91 113.85 1gm0 h THR 85 Ca 0.16 -1.12 0.00 0.00 0.77 0.00 0.00 66.41 66.22 1gm0 h THR 85 Cb 0.40 1.75 -0.03 0.00 -1.74 0.00 0.00 68.15 68.52 1gm0 h THR 85 CO 0.01 0.33 0.38 0.24 0.37 0.00 0.00 175.52 176.85 1gm0 h MET 86 N -0.03 0.79 0.18 6.66 2.86 -1.76 0.12 114.93 123.75 1gm0 h MET 86 Ca 0.03 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1gm0 h MET 86 Cb 0.55 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.04 1gm0 h MET 86 CO 0.02 0.55 -0.08 0.00 1.06 0.00 0.00 176.91 178.46 1gm0 h ALA 87 N 1.20 -0.24 -0.91 6.32 0.00 -0.92 -2.91 119.26 121.79 1gm0 h ALA 87 Ca 0.22 -0.10 0.15 0.00 0.00 0.00 0.00 54.91 55.17 1gm0 h ALA 87 Cb -0.06 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 1gm0 h ALA 87 CO -0.04 -0.57 0.58 0.37 0.00 0.00 0.00 179.25 179.59 1gm0 h GLN 88 N -0.36 0.69 -0.80 0.00 5.75 -0.84 0.72 115.11 120.27 1gm0 h GLN 88 Ca -0.02 -0.04 0.07 0.00 -0.15 0.00 0.00 58.65 58.50 1gm0 h GLN 88 Cb 0.28 -0.16 -0.05 0.00 1.07 0.00 0.00 27.48 28.62 1gm0 h GLN 88 CO 0.04 0.46 0.53 1.96 -2.65 0.00 0.00 178.83 179.16 1gm0 h GLN 89 N 0.71 0.84 0.20 1.69 1.08 -0.58 -0.87 115.11 118.17 1gm0 h GLN 89 Ca 0.46 -0.05 -0.33 0.00 -1.45 0.00 0.00 58.65 57.29 1gm0 h GLN 89 Cb 0.74 -0.19 0.02 0.00 -0.05 0.00 0.00 27.48 28.00 1gm0 h GLN 89 CO -0.22 0.56 -1.57 -0.07 -0.95 0.00 0.00 178.83 176.57 1gm0 h LEU 90 N 0.86 0.66 -0.90 1.46 3.38 -0.81 -3.30 115.31 116.67 1gm0 h LEU 90 Ca 0.35 -0.93 -0.03 0.00 0.09 0.00 0.00 57.88 57.36 1gm0 h LEU 90 Cb 0.25 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1gm0 h LEU 90 CO -0.12 1.72 0.39 0.40 0.09 0.00 0.00 178.44 180.92 1gm0 h ILE 91 N 0.04 1.25 -0.79 1.22 2.04 -0.93 0.11 117.51 120.45 1gm0 h ILE 91 Ca -0.30 -0.72 0.02 0.00 1.00 0.00 0.00 64.86 64.85 1gm0 h ILE 91 Cb 2.06 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 38.31 1gm0 h ILE 91 CO 0.20 0.31 0.51 -0.78 0.00 0.00 0.00 178.15 178.39 1gm0 h ASP 92 N 1.17 0.87 -0.23 1.72 1.82 -1.31 -2.20 116.42 118.26 1gm0 h ASP 92 Ca 0.28 -0.02 -0.19 0.00 -0.39 0.00 0.00 57.03 56.71 1gm0 h ASP 92 Cb 0.12 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 39.93 1gm0 h ASP 92 CO -0.03 0.62 -0.60 0.40 -1.61 0.00 0.00 179.24 178.01 1gm0 h ILE 93 N 1.03 1.28 0.05 2.25 2.04 -1.40 0.15 117.51 122.91 1gm0 h ILE 93 Ca 0.30 -1.80 0.03 0.00 1.00 0.00 0.00 64.86 64.39 1gm0 h ILE 93 Cb -0.07 1.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 1gm0 h ILE 93 CO -0.08 0.58 -0.26 0.58 0.00 0.00 0.00 178.15 178.97 1gm0 h VAL 94 N 0.58 0.42 0.00 1.67 2.07 -0.66 0.32 116.25 120.66 1gm0 h VAL 94 Ca -0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1gm0 h VAL 94 Cb 1.22 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1gm0 h VAL 94 CO 0.13 0.00 -0.12 0.45 0.02 0.00 0.00 177.57 178.05 1gm0 h HIS 95 N -0.43 0.00 0.00 1.57 3.86 -1.37 -1.53 115.15 117.25 1gm0 h HIS 95 Ca 0.05 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.21 1gm0 h HIS 95 Cb 0.48 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 1gm0 h HIS 95 CO -0.27 0.12 -0.22 0.78 0.86 0.00 0.00 177.93 179.20 1gm0 h GLY 96 N 2.63 0.00 1.01 2.45 0.00 -0.22 -3.30 103.07 105.64 1gm0 h GLY 96 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.16 1gm0 h GLY 96 CO 0.02 0.00 -1.39 0.00 0.00 0.00 0.00 176.54 175.17 1gm0 h GLU 98 N 0.00 0.44 0.02 0.00 5.08 -1.41 -1.96 114.58 116.75 1gm0 h GLU 98 Ca -0.16 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1gm0 h GLU 98 Cb 1.57 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.72 1gm0 h GLU 98 CO 0.05 0.29 -0.01 0.87 -1.00 0.00 0.00 179.01 179.21 1gm0 h LYS 99 N 0.46 -0.02 0.00 2.33 1.79 -1.68 -3.34 116.57 116.10 1gm0 h LYS 99 Ca 0.51 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.89 1gm0 h LYS 99 Cb 1.20 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.84 1gm0 h LYS 99 CO -0.22 0.52 -0.43 0.66 -1.08 0.00 0.00 179.45 178.89 1gm0 h SER 100 N -0.99 0.00 -3.25 0.86 4.64 -1.51 -3.40 113.55 109.91 1gm0 h SER 100 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1gm0 h SER 100 Cb 0.55 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.71 1gm0 h SER 100 CO 0.00 0.43 0.83 -0.89 -0.87 0.00 0.00 176.83 176.34 1gm0 s THR 101 N -4.00 2.42 0.23 2.95 2.01 -0.74 -4.99 115.64 113.52 1gm0 s THR 101 Ca -0.02 0.34 -0.30 0.00 0.31 0.00 0.00 61.69 62.02 1gm0 s THR 101 Cb 0.14 -3.22 -0.09 0.00 0.01 0.00 0.00 72.50 69.33 1gm0 s THR 101 CO 0.73 0.05 1.38 -2.16 -0.69 0.00 0.00 174.62 173.93 1gm0 s PRO 102 N -0.12 4.32 -0.91 4.92 0.04 -1.26 -4.89 135.00 137.11 1gm0 s PRO 102 Ca 0.63 2.19 -0.24 0.00 0.04 0.00 0.00 61.00 63.61 1gm0 s PRO 102 Cb -0.45 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 30.91 1gm0 s PRO 102 CO 0.42 -0.34 1.88 0.00 0.04 0.00 0.00 177.00 179.01 1gm0 s ALA 103 N 0.05 1.80 0.62 8.56 0.00 -1.26 -4.90 121.76 126.63 1gm0 s ALA 103 Ca 0.58 -1.58 -0.16 0.00 0.00 0.00 0.00 51.96 50.80 1gm0 s ALA 103 Cb -0.39 -4.55 -0.02 0.00 0.00 0.00 0.00 23.12 18.15 1gm0 s ALA 103 CO 0.41 -4.66 1.08 1.21 0.00 0.00 0.00 175.76 173.80 1gm0 s ASN 104 N 7.66 5.53 0.22 0.00 3.84 -1.26 -4.98 114.94 125.95 1gm0 s ASN 104 Ca 0.67 1.90 -0.08 0.00 0.21 0.00 0.00 52.86 55.56 1gm0 s ASN 104 Cb -0.06 -2.54 0.19 0.00 -0.55 0.00 0.00 41.25 38.28 1gm0 s ASN 104 CO -0.02 -1.34 1.85 -0.78 -2.79 0.00 0.00 177.10 174.02 1gm0 h ASP 105 N 0.33 1.04 -3.61 -4.21 3.58 -2.02 -3.41 116.42 108.12 1gm0 h ASP 105 Ca -0.47 -0.09 -0.65 0.00 0.42 0.00 0.00 57.03 56.24 1gm0 h ASP 105 Cb 1.23 -0.26 -0.16 0.00 1.72 0.00 0.00 39.33 41.86 1gm0 h ASP 105 CO 0.56 0.83 -0.10 -0.62 -2.88 0.00 0.00 179.24 177.03 1gm0 s ASP 106 N -6.14 6.28 0.54 2.28 2.15 -1.26 -4.94 116.67 115.58 1gm0 s ASP 106 Ca -0.13 -0.12 0.21 0.00 0.43 0.00 0.00 52.55 52.94 1gm0 s ASP 106 Cb 0.16 -2.25 1.40 0.00 -0.30 0.00 0.00 42.92 41.93 1gm0 s ASP 106 CO 0.81 -0.47 2.13 0.50 -0.17 0.00 0.00 175.17 177.97 1gm0 h LYS 107 N 8.49 0.00 0.39 4.34 1.63 -1.99 0.52 116.57 129.95 1gm0 h LYS 107 Ca -0.28 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.50 1gm0 h LYS 107 Cb 1.13 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.76 1gm0 h LYS 107 CO 0.76 0.00 -0.19 0.00 -3.45 0.00 0.00 179.45 176.58 1gm0 h ILE 109 N -0.66 0.90 0.32 0.00 2.04 -1.77 -0.63 117.51 117.70 1gm0 h ILE 109 Ca -0.05 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1gm0 h ILE 109 Cb 0.40 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.49 1gm0 h ILE 109 CO 0.09 0.14 -0.37 -0.25 0.00 0.00 0.00 178.15 177.76 1gm0 h TRP 110 N 0.79 -1.00 -0.39 1.37 7.01 -0.91 -2.62 115.95 120.20 1gm0 h TRP 110 Ca 0.44 0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.48 1gm0 h TRP 110 Cb 0.57 0.40 -0.02 0.00 -2.10 0.00 0.00 29.16 28.00 1gm0 h TRP 110 CO -0.00 -0.51 0.26 1.15 -2.79 0.00 0.00 178.44 176.55 1gm0 h THR 111 N -0.73 1.01 0.01 2.65 2.02 0.11 0.40 112.91 118.39 1gm0 h THR 111 Ca -0.02 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 67.04 1gm0 h THR 111 Cb 0.67 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1gm0 h THR 111 CO -0.09 0.07 -0.04 0.25 0.37 0.00 0.00 175.52 176.08 1gm0 h LEU 112 N 0.38 -0.11 -0.10 2.58 7.12 -1.06 -0.27 115.31 123.85 1gm0 h LEU 112 Ca 0.16 0.02 0.02 0.00 0.13 0.00 0.00 57.88 58.21 1gm0 h LEU 112 Cb 0.17 0.04 -0.05 0.00 -0.53 0.00 0.00 40.66 40.30 1gm0 h LEU 112 CO -0.04 -0.06 -0.42 1.23 -0.13 0.00 0.00 178.44 179.02 1gm0 h GLY 113 N -0.08 -1.20 0.15 3.75 0.00 -0.62 -0.88 103.07 104.19 1gm0 h GLY 113 Ca 0.01 0.68 0.10 0.00 0.00 0.00 0.00 47.33 48.12 1gm0 h GLY 113 CO -0.03 -0.29 -0.03 -2.08 0.00 0.00 0.00 176.54 174.11 1gm0 h VAL 114 N -0.46 0.59 -0.05 4.60 2.07 -0.87 -0.01 116.25 122.13 1gm0 h VAL 114 Ca 0.02 -0.03 -0.11 0.00 0.82 0.00 0.00 66.70 67.40 1gm0 h VAL 114 Cb 0.53 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1gm0 h VAL 114 CO -0.33 0.01 -0.50 0.00 0.02 0.00 0.00 177.57 176.78 1gm0 h ALA 115 N 1.45 1.08 0.08 1.67 0.00 -0.96 0.39 119.26 122.96 1gm0 h ALA 115 Ca 0.24 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1gm0 h ALA 115 Cb 0.37 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1gm0 h ALA 115 CO -0.43 0.64 -0.04 1.15 0.00 0.00 0.00 179.25 180.57 1gm0 h THR 116 N 0.10 1.15 -0.54 0.00 2.02 -0.17 -2.75 112.91 112.72 1gm0 h THR 116 Ca 0.00 -0.83 0.11 0.00 0.77 0.00 0.00 66.41 66.46 1gm0 h THR 116 Cb 0.92 1.68 -0.10 0.00 -1.74 0.00 0.00 68.15 68.90 1gm0 h THR 116 CO 0.07 0.20 -0.13 0.00 0.37 0.00 0.00 175.52 176.04 1gm0 h PHE 118 N 0.01 -0.98 -0.76 0.00 3.57 -0.89 -0.67 116.94 117.22 1gm0 h PHE 118 Ca 0.26 0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.95 1gm0 h PHE 118 Cb 0.40 0.39 -0.13 0.00 2.79 0.00 0.00 35.95 39.40 1gm0 h PHE 118 CO -0.44 -0.43 0.06 -0.22 -2.23 0.00 0.00 178.31 175.04 1gm0 h LYS 119 N -0.62 0.14 -0.85 1.11 3.64 -1.28 0.00 116.57 118.72 1gm0 h LYS 119 Ca -0.03 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1gm0 h LYS 119 Cb 0.56 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.30 1gm0 h LYS 119 CO -0.10 0.09 0.55 0.00 -2.27 0.00 0.00 179.45 177.73 1gm0 h ALA 120 N 1.69 1.11 -0.33 5.00 0.00 -0.68 -2.72 119.26 123.33 1gm0 h ALA 120 Ca 0.43 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.22 1gm0 h ALA 120 Cb 0.76 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1gm0 h ALA 120 CO -0.63 0.41 -0.07 0.93 0.00 0.00 0.00 179.25 179.89 1gm0 h GLU 121 N 1.09 0.64 -1.02 0.00 4.39 0.48 -2.79 114.58 117.36 1gm0 h GLU 121 Ca 0.33 -0.24 0.25 0.00 0.34 0.00 0.00 59.36 60.05 1gm0 h GLU 121 Cb -0.03 -0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 28.48 1gm0 h GLU 121 CO -0.10 0.80 0.65 0.82 -1.16 0.00 0.00 179.01 180.02 1gm0 h ILE 122 N 0.42 0.55 0.00 3.13 2.04 -0.90 0.93 117.51 123.68 1gm0 h ILE 122 Ca 0.09 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1gm0 h ILE 122 Cb 0.56 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1gm0 h ILE 122 CO 0.03 0.08 0.00 1.57 0.00 0.00 0.00 178.15 179.83 1gm0 n HIS 123 N -4.65 0.32 0.94 1.37 -0.00 -1.05 -1.64 115.22 110.50 1gm0 n HIS 123 Ca 0.25 0.15 0.10 0.00 0.46 0.00 0.00 57.72 58.68 1gm0 n HIS 123 Cb 0.82 -0.75 -0.05 0.00 -0.12 0.00 0.00 29.99 29.89 1gm0 n HIS 123 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1gm0 n LYS 124 N -1.82 0.96 -0.73 1.57 5.02 0.32 -5.01 118.16 118.47 1gm0 n LYS 124 Ca 0.00 -0.57 -0.30 0.00 -2.02 0.00 0.00 58.31 55.43 1gm0 n LYS 124 Cb 0.07 -1.43 0.25 0.00 -0.02 0.00 0.00 35.03 33.90 1gm0 n LYS 124 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1gm0 s LEU 125 N -2.61 0.15 0.00 -0.35 1.43 -0.65 -4.97 118.68 111.68 1gm0 s LEU 125 Ca 0.13 0.94 0.27 0.00 -1.03 0.00 0.00 54.13 54.44 1gm0 s LEU 125 Cb 0.16 -2.64 0.80 0.00 0.03 0.00 0.00 46.19 44.54 1gm0 s LEU 125 CO 0.65 -4.49 1.60 -0.46 0.23 0.00 0.00 176.35 173.88 1gm0 n ASN 126 N -5.05 1.72 -3.71 2.29 6.94 -1.26 -4.98 115.26 111.21 1gm0 n ASN 126 Ca 0.10 -1.50 -0.14 0.00 -0.02 0.00 0.00 54.58 53.03 1gm0 n ASN 126 Cb 0.58 0.04 -0.07 0.00 -2.36 0.00 0.00 39.78 37.98 1gm0 n ASN 126 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1gm0 s TRP 127 N -2.10 1.09 -0.30 -2.53 1.48 -1.26 -5.14 118.94 110.18 1gm0 s TRP 127 Ca 0.33 -1.28 0.02 0.00 -1.06 0.00 0.00 56.10 54.12 1gm0 s TRP 127 Cb 0.20 -0.30 0.08 0.00 -1.16 0.00 0.00 33.47 32.30 1gm0 s TRP 127 CO 0.37 -0.91 0.01 0.00 -4.06 0.00 0.00 176.95 172.36 1gm0 s ALA 128 N -3.66 2.43 0.42 2.67 0.00 -1.26 -4.93 121.76 117.44 1gm0 s ALA 128 Ca 0.33 -2.02 -0.26 0.00 0.00 0.00 0.00 51.96 50.01 1gm0 s ALA 128 Cb 0.02 -1.74 -0.09 0.00 0.00 0.00 0.00 23.12 21.32 1gm0 s ALA 128 CO 0.17 -1.49 1.46 -2.14 0.00 0.00 0.00 175.76 173.75 1gm0 s PRO 129 N 1.15 3.83 0.74 0.00 0.02 -1.26 -5.01 135.00 134.48 1gm0 s PRO 129 Ca 0.04 2.49 -0.15 0.00 0.02 0.00 0.00 61.00 63.40 1gm0 s PRO 129 Cb -0.19 -2.77 0.05 0.00 0.02 0.00 0.00 34.50 31.61 1gm0 s PRO 129 CO -0.10 -0.73 1.22 -1.12 -0.33 0.00 0.00 177.00 175.95 1gm0 s SER 130 N -0.36 4.05 0.32 2.53 0.01 -1.26 -4.80 113.70 114.20 1gm0 s SER 130 Ca 0.58 2.41 0.11 0.00 1.31 0.00 0.00 55.95 60.35 1gm0 s SER 130 Cb -0.45 -2.59 0.53 0.00 0.21 0.00 0.00 66.02 63.72 1gm0 s SER 130 CO 0.59 -2.36 1.72 0.24 0.41 0.00 0.00 173.24 173.84 1gm0 h MET 131 N -0.36 0.03 -0.09 12.44 2.86 -1.98 -0.50 114.93 127.34 1gm0 h MET 131 Ca -0.48 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.17 1gm0 h MET 131 Cb 1.30 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.91 1gm0 h MET 131 CO 0.49 0.51 -0.45 0.38 1.06 0.00 0.00 176.91 178.90 1gm0 h ASP 132 N 0.03 -1.43 0.33 1.22 2.03 -1.98 0.96 116.42 117.59 1gm0 h ASP 132 Ca -0.00 0.17 -0.00 0.00 -0.73 0.00 0.00 57.03 56.46 1gm0 h ASP 132 Cb 0.86 0.55 -0.03 0.00 -0.83 0.00 0.00 39.33 39.88 1gm0 h ASP 132 CO 0.06 -0.41 -0.49 0.58 -1.03 0.00 0.00 179.24 177.95 1gm0 h VAL 133 N -0.50 0.05 0.48 4.15 2.07 -1.85 0.12 116.25 120.77 1gm0 h VAL 133 Ca 0.02 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 1gm0 h VAL 133 Cb 0.57 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1gm0 h VAL 133 CO -0.35 0.00 -0.26 0.00 0.02 0.00 0.00 177.57 176.98 1gm0 h ALA 134 N -0.63 -0.70 0.00 1.67 0.00 -1.08 -0.41 119.26 118.12 1gm0 h ALA 134 Ca -0.03 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1gm0 h ALA 134 Cb 0.80 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1gm0 h ALA 134 CO -0.15 -0.90 -0.31 0.28 0.00 0.00 0.00 179.25 178.17 1gm0 h VAL 135 N -0.70 1.15 -0.66 0.00 2.07 -0.82 -2.03 116.25 115.27 1gm0 h VAL 135 Ca -0.06 -1.07 0.01 0.00 0.82 0.00 0.00 66.70 66.40 1gm0 h VAL 135 Cb 0.55 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 1gm0 h VAL 135 CO 0.08 0.30 0.44 1.23 0.02 0.00 0.00 177.57 179.64 1gm0 h GLY 136 N 1.00 0.93 0.73 2.17 0.00 -0.17 -3.00 103.07 104.73 1gm0 h GLY 136 Ca -0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 1gm0 h GLY 136 CO 0.04 0.33 -0.35 0.83 0.00 0.00 0.00 176.54 177.39 1gm0 h GLU 137 N 0.89 -0.94 -0.34 4.80 4.39 -0.36 -1.68 114.58 121.33 1gm0 h GLU 137 Ca 0.24 0.06 0.06 0.00 0.34 0.00 0.00 59.36 60.06 1gm0 h GLU 137 Cb -0.10 0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1gm0 h GLU 137 CO -0.06 -0.63 0.23 0.97 -1.16 0.00 0.00 179.01 178.37 1gm0 h ILE 138 N -1.26 0.94 0.04 3.13 2.10 -1.57 -0.08 117.51 120.82 1gm0 h ILE 138 Ca -0.10 -0.07 -0.23 0.00 1.08 0.00 0.00 64.86 65.53 1gm0 h ILE 138 Cb 0.75 0.71 -0.00 0.00 -1.09 0.00 0.00 36.82 37.18 1gm0 h ILE 138 CO 0.16 0.04 -1.03 -0.07 -1.08 0.00 0.00 178.15 176.18 1gm0 h LEU 139 N 0.22 0.41 0.00 2.19 3.38 -1.48 0.78 115.31 120.80 1gm0 h LEU 139 Ca 0.15 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1gm0 h LEU 139 Cb 0.33 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1gm0 h LEU 139 CO -0.03 1.21 0.01 0.00 0.09 0.00 0.00 178.44 179.71 1gm0 n ALA 140 N -2.51 1.11 0.00 1.53 0.00 -0.07 -4.21 120.51 116.35 1gm0 n ALA 140 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1gm0 n ALA 140 Cb 0.89 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.36 1gm0 n ALA 140 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1gm0 n GLU 141 N -1.37 0.23 0.00 0.00 1.02 -0.95 -1.00 120.64 118.57 1gm0 n GLU 141 Ca 0.00 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.29 1gm0 n GLU 141 Cb 0.01 -0.86 0.78 0.00 -0.02 0.00 0.00 31.44 31.35 1gm0 n GLU 141 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59