#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 1.56 -0.81 1.43 -2.07 -1.26 -4.63 119.66 113.88 1gm0 s GLN 2 Ca 0.00 0.19 -0.01 0.00 -1.82 0.00 0.00 55.36 53.72 1gm0 s GLN 2 Cb 0.00 -1.90 0.00 0.00 -1.09 0.00 0.00 33.01 30.02 1gm0 s GLN 2 CO 0.00 -1.89 0.64 0.39 -1.32 0.00 0.00 175.29 173.11 1gm0 n GLU 3 N -3.53 -1.46 -3.51 9.60 1.02 -1.26 -4.96 120.64 116.54 1gm0 n GLU 3 Ca 0.07 0.96 -0.27 0.00 -0.02 0.00 0.00 57.16 57.90 1gm0 n GLU 3 Cb 0.60 -3.34 -0.09 0.00 -0.02 0.00 0.00 31.44 28.59 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 -2.44 1.86 -1.57 2.62 0.31 -1.26 -4.80 118.33 113.05 1gm0 n VAL 4 Ca -0.22 -5.00 0.01 0.00 -0.01 0.00 0.00 64.34 59.12 1gm0 n VAL 4 Cb 0.64 -2.10 0.01 0.00 -0.91 0.00 0.00 33.84 31.48 1gm0 n VAL 4 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 1gm0 n MET 5 N 1.19 0.26 -1.90 5.55 0.00 -1.26 -5.10 117.12 115.86 1gm0 n MET 5 Ca 0.27 -1.06 -0.37 0.00 0.00 0.00 0.00 57.70 56.54 1gm0 n MET 5 Cb 0.41 -0.62 0.04 0.00 0.00 0.00 0.00 33.22 33.04 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 -0.34 3.09 0.06 3.17 -0.14 -1.26 -5.03 119.74 119.30 1gm0 s LYS 6 Ca 0.03 2.05 0.05 0.00 -1.36 0.00 0.00 55.97 56.74 1gm0 s LYS 6 Cb 0.03 -2.14 -0.04 0.00 -1.68 0.00 0.00 37.83 34.00 1gm0 s LYS 6 CO 0.00 -1.17 -0.06 1.21 -0.76 0.00 0.00 175.35 174.58 1gm0 s ASN 7 N -1.23 4.67 0.11 2.83 2.47 -1.26 -4.98 114.94 117.56 1gm0 s ASN 7 Ca 0.74 -0.23 0.00 0.00 0.42 0.00 0.00 52.86 53.78 1gm0 s ASN 7 Cb -0.36 -1.04 0.00 0.00 -1.45 0.00 0.00 41.25 38.40 1gm0 s ASN 7 CO 0.41 0.22 0.00 -0.11 -3.72 0.00 0.00 177.10 173.90 1gm0 n LEU 8 N 0.97 -4.96 -0.08 3.21 -0.00 -1.26 -5.01 117.00 109.87 1gm0 n LEU 8 Ca -0.13 2.72 -0.06 0.00 -0.00 0.00 0.00 56.01 58.53 1gm0 n LEU 8 Cb 0.52 -2.86 -0.16 0.00 -0.00 0.00 0.00 43.42 40.92 1gm0 n LEU 8 CO 0.34 -1.95 -1.09 -1.20 -0.00 0.00 0.00 177.39 173.49 1gm0 n SER 9 N 1.89 0.04 -4.77 1.96 7.64 -1.26 -4.95 113.62 114.17 1gm0 n SER 9 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.51 1gm0 n SER 9 Cb 0.00 1.16 0.00 0.00 -1.01 0.00 0.00 64.21 64.37 1gm0 n SER 9 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1gm0 s LEU 10 N -5.32 3.97 -1.07 -3.43 1.43 -1.26 -4.91 118.68 108.09 1gm0 s LEU 10 Ca -0.10 2.41 -0.08 0.00 -1.03 0.00 0.00 54.13 55.33 1gm0 s LEU 10 Cb 0.07 -4.26 -0.12 0.00 0.03 0.00 0.00 46.19 41.92 1gm0 s LEU 10 CO 0.84 -1.08 3.10 -3.20 0.23 0.00 0.00 176.35 176.24 1gm0 n ASN 11 N -0.63 7.57 -0.36 2.29 2.85 -0.85 -4.58 115.26 121.55 1gm0 n ASN 11 Ca 0.08 -2.62 0.02 0.00 -0.11 0.00 0.00 54.58 51.95 1gm0 n ASN 11 Cb 0.47 -1.49 0.17 0.00 1.24 0.00 0.00 39.78 40.18 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 4.28 1.16 0.01 1.20 0.04 -1.88 -2.80 116.94 118.95 1gm0 h PHE 12 Ca 0.64 0.03 0.03 0.00 2.80 0.00 0.00 57.97 61.47 1gm0 h PHE 12 Cb 0.67 -0.38 -0.05 0.00 2.20 0.00 0.00 35.95 38.39 1gm0 h PHE 12 CO 1.82 0.60 -0.33 0.78 -0.60 0.00 0.00 178.31 180.58 1gm0 h GLY 13 N 1.14 -0.56 0.88 -1.45 0.00 -1.98 0.20 103.07 101.29 1gm0 h GLY 13 Ca 0.42 0.40 -0.06 0.00 0.00 0.00 0.00 47.33 48.09 1gm0 h GLY 13 CO -0.17 -0.24 -0.03 0.50 0.00 0.00 0.00 176.54 176.60 1gm0 h LYS 14 N -0.49 0.54 -0.39 4.80 1.79 -1.95 -0.29 116.57 120.58 1gm0 h LYS 14 Ca 0.06 -0.19 0.08 0.00 -2.18 0.00 0.00 60.65 58.41 1gm0 h LYS 14 Cb 0.57 -0.04 -0.07 0.00 -1.58 0.00 0.00 32.23 31.11 1gm0 h LYS 14 CO -0.26 0.71 -0.04 0.00 -1.08 0.00 0.00 179.45 178.78 1gm0 h ALA 15 N 0.81 0.32 -0.70 3.86 0.00 -1.24 -1.55 119.26 120.77 1gm0 h ALA 15 Ca 0.08 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1gm0 h ALA 15 Cb 0.49 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1gm0 h ALA 15 CO 0.02 -0.42 0.44 -0.07 0.00 0.00 0.00 179.25 179.22 1gm0 h LEU 16 N 0.06 0.83 -2.27 0.00 3.38 -0.46 0.12 115.31 116.96 1gm0 h LEU 16 Ca 0.19 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1gm0 h LEU 16 Cb 0.28 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1gm0 h LEU 16 CO -0.36 0.63 0.00 -0.78 0.09 0.00 0.00 178.44 178.02 1gm0 h ASP 17 N 0.95 0.00 0.03 -0.43 3.58 -0.38 -0.62 116.42 119.55 1gm0 h ASP 17 Ca 0.25 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.45 1gm0 h ASP 17 Cb -0.06 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 40.94 1gm0 h ASP 17 CO -0.05 0.00 -2.24 -0.62 -2.88 0.00 0.00 179.24 173.45 1gm0 n GLU 18 N -2.96 0.68 -0.08 0.28 1.02 -0.64 -4.45 120.64 114.49 1gm0 n GLU 18 Ca -0.02 -0.05 -0.08 0.00 -0.02 0.00 0.00 57.16 56.99 1gm0 n GLU 18 Cb 0.14 -1.53 0.08 0.00 -0.02 0.00 0.00 31.44 30.12 1gm0 n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1gm0 h LYS 20 N 0.66 0.00 -0.19 0.00 -0.00 -1.39 -3.01 116.57 112.64 1gm0 h LYS 20 Ca 0.09 0.00 -0.07 0.00 -0.00 0.00 0.00 60.65 60.67 1gm0 h LYS 20 Cb 0.77 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.00 1gm0 h LYS 20 CO 0.06 0.02 -0.15 0.87 -0.00 0.00 0.00 179.45 180.25 1gm0 h LYS 21 N 0.00 0.43 -0.52 0.07 1.57 -1.65 -2.13 116.57 114.34 1gm0 h LYS 21 Ca -0.00 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1gm0 h LYS 21 Cb 0.55 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 1gm0 h LYS 21 CO 0.00 0.77 0.34 0.93 -0.57 0.00 0.00 179.45 180.92 1gm0 h GLU 22 N 0.10 0.69 -0.00 3.15 5.08 -1.53 -2.08 114.58 119.98 1gm0 h GLU 22 Ca 0.03 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1gm0 h GLU 22 Cb 0.67 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1gm0 h GLU 22 CO 0.04 0.46 -0.59 -1.33 -1.00 0.00 0.00 179.01 176.58 1gm0 n MET 23 N -4.46 1.74 -3.68 2.33 0.00 -1.25 -5.00 117.12 106.81 1gm0 n MET 23 Ca 0.05 -0.31 -0.23 0.00 0.00 0.00 0.00 57.70 57.20 1gm0 n MET 23 Cb 0.05 -1.26 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 -0.89 -2.78 -1.22 2.03 -1.04 -0.78 -5.03 114.28 104.56 1gm0 n THR 24 Ca 0.04 -0.04 -0.30 0.00 -2.04 0.00 0.00 64.05 61.71 1gm0 n THR 24 Cb 0.29 -2.47 0.24 0.00 -1.82 0.00 0.00 70.33 66.56 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 -4.80 0.98 1.16 -4.42 1.43 -0.86 -5.05 118.68 107.13 1gm0 s LEU 25 Ca 0.03 0.51 -0.18 0.00 -1.03 0.00 0.00 54.13 53.46 1gm0 s LEU 25 Cb -0.02 -2.25 0.27 0.00 0.03 0.00 0.00 46.19 44.22 1gm0 s LEU 25 CO 0.79 -3.98 1.13 0.42 0.23 0.00 0.00 176.35 174.95 1gm0 s THR 26 N -3.17 1.67 -0.12 5.49 -4.23 -1.26 -4.91 115.64 109.11 1gm0 s THR 26 Ca 0.72 0.00 0.11 0.00 -1.18 0.00 0.00 61.69 61.35 1gm0 s THR 26 Cb -0.08 -2.55 -0.16 0.00 1.34 0.00 0.00 72.50 71.05 1gm0 s THR 26 CO 0.55 0.00 0.05 -0.67 -0.54 0.00 0.00 174.62 174.02 1gm0 n ASP 27 N -4.60 1.84 0.08 3.99 2.03 -1.26 -4.33 116.55 114.30 1gm0 n ASP 27 Ca 0.13 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.49 1gm0 n ASP 27 Cb 0.59 0.84 0.29 0.00 -0.72 0.00 0.00 41.12 42.13 1gm0 n ASP 27 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1gm0 n ALA 28 N -2.46 1.01 0.19 -1.67 0.00 -1.26 -3.17 120.51 113.15 1gm0 n ALA 28 Ca -0.20 0.10 0.09 0.00 0.00 0.00 0.00 53.44 53.43 1gm0 n ALA 28 Cb 0.90 -1.14 0.48 0.00 0.00 0.00 0.00 19.45 19.69 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 0.00 0.21 0.00 -0.00 -1.96 0.97 117.51 116.73 1gm0 h ILE 29 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 64.86 64.85 1gm0 h ILE 29 Cb 0.02 0.39 0.00 0.00 -0.00 0.00 0.00 36.82 37.23 1gm0 h ILE 29 CO 0.00 0.00 -0.10 -1.13 -0.00 0.00 0.00 178.15 176.92 1gm0 h ASN 30 N 0.00 -0.24 0.11 2.16 -1.24 -1.90 -2.93 115.58 111.54 1gm0 h ASN 30 Ca 0.00 0.01 -0.15 0.00 0.71 0.00 0.00 56.30 56.87 1gm0 h ASN 30 Cb 0.51 0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.61 1gm0 h ASN 30 CO 0.00 -0.13 -0.54 -0.33 -1.29 0.00 0.00 177.43 175.15 1gm0 h GLU 31 N -0.37 0.46 0.00 6.67 5.08 -1.58 -2.70 114.58 122.13 1gm0 h GLU 31 Ca -0.03 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.00 1gm0 h GLU 31 Cb 0.22 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1gm0 h GLU 31 CO 0.05 0.88 -0.22 0.22 -1.00 0.00 0.00 179.01 178.94 1gm0 h ASP 32 N 0.36 0.00 -0.14 1.42 3.58 -1.00 0.35 116.42 120.98 1gm0 h ASP 32 Ca 0.01 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.43 1gm0 h ASP 32 Cb 1.06 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.10 1gm0 h ASP 32 CO 0.10 0.21 -0.03 0.15 -2.88 0.00 0.00 179.24 176.78 1gm0 h PHE 33 N 0.00 0.30 0.00 0.28 3.57 -1.48 -2.16 116.94 117.45 1gm0 h PHE 33 Ca -0.00 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 1gm0 h PHE 33 Cb 1.16 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.83 1gm0 h PHE 33 CO 0.00 0.55 -0.06 1.88 -2.23 0.00 0.00 178.31 178.45 1gm0 h TYR 34 N -0.04 0.00 0.32 0.41 -1.99 -1.04 -2.45 116.97 112.17 1gm0 h TYR 34 Ca 0.04 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.75 1gm0 h TYR 34 Cb 0.45 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.18 1gm0 h TYR 34 CO 0.05 0.06 -0.15 -0.91 -0.00 0.00 0.00 178.16 177.21 1gm0 h ASN 35 N 0.00 -0.36 -1.04 3.88 2.35 -0.33 -3.37 115.58 116.70 1gm0 h ASN 35 Ca -0.00 -0.18 0.31 0.00 -0.55 0.00 0.00 56.30 55.88 1gm0 h ASN 35 Cb 0.46 0.09 -0.14 0.00 0.05 0.00 0.00 38.32 38.79 1gm0 h ASN 35 CO 0.01 0.08 0.62 0.15 -1.65 0.00 0.00 177.43 176.64 1gm0 h PHE 36 N -0.91 0.87 -0.72 1.19 3.57 -0.88 0.29 116.94 120.35 1gm0 h PHE 36 Ca -0.04 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.61 1gm0 h PHE 36 Cb 0.52 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 38.98 1gm0 h PHE 36 CO 0.04 -0.11 0.48 -1.49 -2.23 0.00 0.00 178.31 175.00 1gm0 h TRP 37 N 0.35 0.54 -4.24 0.41 6.55 -1.72 -3.44 115.95 114.40 1gm0 h TRP 37 Ca 0.71 0.01 -0.50 0.00 0.95 0.00 0.00 58.89 60.07 1gm0 h TRP 37 Cb 1.68 -0.17 0.07 0.00 -0.86 0.00 0.00 29.16 29.87 1gm0 h TRP 37 CO -0.01 0.23 0.38 0.15 -1.05 0.00 0.00 178.44 178.14 1gm0 s LYS 38 N -5.46 3.31 0.49 0.49 1.02 0.09 -5.01 119.74 114.67 1gm0 s LYS 38 Ca -0.08 1.09 -0.22 0.00 0.02 0.00 0.00 55.97 56.78 1gm0 s LYS 38 Cb 0.20 -2.04 -0.07 0.00 -0.52 0.00 0.00 37.83 35.41 1gm0 s LYS 38 CO 0.76 -0.81 1.13 -1.21 -0.92 0.00 0.00 175.35 174.31 1gm0 s GLU 39 N -4.37 3.66 -0.21 1.68 2.02 -1.26 -3.24 118.70 116.98 1gm0 s GLU 39 Ca 0.61 1.66 0.00 0.00 0.02 0.00 0.00 54.97 57.26 1gm0 s GLU 39 Cb -0.14 -2.25 0.00 0.00 0.10 0.00 0.00 34.13 31.84 1gm0 s GLU 39 CO 0.41 -0.61 0.00 0.41 0.02 0.00 0.00 175.26 175.50 1gm0 n GLY 40 N 0.27 0.54 3.21 -1.39 0.00 -1.26 -5.00 105.19 101.57 1gm0 n GLY 40 Ca 0.09 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.95 3.51 -1.11 1.61 2.02 -1.20 -4.97 117.35 115.26 1gm0 s TYR 41 Ca 0.00 -2.14 -0.17 0.00 -0.37 0.00 0.00 57.07 54.39 1gm0 s TYR 41 Cb 0.00 -3.51 -0.07 0.00 -0.40 0.00 0.00 41.96 37.99 1gm0 s TYR 41 CO 0.00 -0.95 2.13 0.39 -1.57 0.00 0.00 175.55 175.55 1gm0 n GLU 42 N 4.24 2.23 -2.66 -0.62 4.71 -1.26 -4.80 120.64 122.47 1gm0 n GLU 42 Ca 0.02 -2.13 -0.42 0.00 -0.01 0.00 0.00 57.16 54.62 1gm0 n GLU 42 Cb 0.41 -3.01 -0.02 0.00 -1.01 0.00 0.00 31.44 27.82 1gm0 n GLU 42 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1gm0 s ILE 43 N 3.97 4.23 -2.07 -3.67 -1.09 -1.26 -4.79 121.20 116.51 1gm0 s ILE 43 Ca 0.53 -1.46 0.31 0.00 -2.23 0.00 0.00 60.65 57.79 1gm0 s ILE 43 Cb 0.14 -5.05 0.77 0.00 -1.58 0.00 0.00 42.46 36.74 1gm0 s ILE 43 CO 0.01 -1.87 2.08 0.29 -1.23 0.00 0.00 174.94 174.22 1gm0 n LYS 44 N 8.03 1.11 -2.09 2.79 4.76 -1.26 -4.99 118.16 126.50 1gm0 n LYS 44 Ca 0.37 -0.25 -0.38 0.00 -2.87 0.00 0.00 58.31 55.18 1gm0 n LYS 44 Cb 0.48 -1.49 0.01 0.00 -1.84 0.00 0.00 35.03 32.18 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 -2.06 5.90 0.10 4.39 3.84 -1.26 -4.95 114.94 120.91 1gm0 s ASN 45 Ca 0.43 2.47 -0.24 0.00 0.21 0.00 0.00 52.86 55.74 1gm0 s ASN 45 Cb 0.22 -2.62 -0.11 0.00 -0.55 0.00 0.00 41.25 38.19 1gm0 s ASN 45 CO 0.37 -1.11 1.70 0.03 -2.79 0.00 0.00 177.10 175.30 1gm0 h ARG 46 N 1.92 -0.15 0.00 0.43 3.08 -1.94 -3.04 114.38 114.67 1gm0 h ARG 46 Ca -0.50 0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.51 1gm0 h ARG 46 Cb 1.26 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.34 1gm0 h ARG 46 CO 0.59 -0.10 -0.25 0.93 -1.07 0.00 0.00 179.97 180.07 1gm0 h GLU 47 N -0.16 0.00 -0.74 0.04 5.08 -1.92 -0.89 114.58 115.99 1gm0 h GLU 47 Ca 0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1gm0 h GLU 47 Cb 0.18 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 1gm0 h GLU 47 CO -0.06 0.25 0.42 1.15 -1.00 0.00 0.00 179.01 179.77 1gm0 h THR 48 N 0.00 1.22 -0.43 1.13 2.02 -1.92 -0.11 112.91 114.83 1gm0 h THR 48 Ca -0.00 -0.53 -0.05 0.00 0.77 0.00 0.00 66.41 66.60 1gm0 h THR 48 Cb 0.63 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1gm0 h THR 48 CO 0.03 0.24 0.06 1.23 0.37 0.00 0.00 175.52 177.45 1gm0 h GLY 49 N 1.02 0.71 1.00 2.16 0.00 -1.17 -2.09 103.07 104.69 1gm0 h GLY 49 Ca 0.26 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 1gm0 h GLY 49 CO -0.04 0.39 0.24 0.00 0.00 0.00 0.00 176.54 177.13 1gm0 h ALA 51 N 1.09 0.13 0.03 0.00 0.00 -0.60 -0.03 119.26 119.88 1gm0 h ALA 51 Ca 0.20 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.18 1gm0 h ALA 51 Cb 0.20 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1gm0 h ALA 51 CO -0.02 -0.45 -0.14 0.82 0.00 0.00 0.00 179.25 179.46 1gm0 h ILE 52 N 0.04 0.66 0.15 0.00 2.04 -1.22 0.27 117.51 119.44 1gm0 h ILE 52 Ca 0.07 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.95 1gm0 h ILE 52 Cb 0.10 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 1gm0 h ILE 52 CO -0.13 0.00 -0.29 -0.03 0.00 0.00 0.00 178.15 177.70 1gm0 h MET 53 N -0.25 -0.50 -0.82 2.37 4.05 -0.89 -2.17 114.93 116.72 1gm0 h MET 53 Ca 0.04 0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.51 1gm0 h MET 53 Cb 0.30 0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 31.17 1gm0 h MET 53 CO -0.12 -0.33 0.54 0.00 0.23 0.00 0.00 176.91 177.22 1gm0 h LEU 55 N 1.07 0.00 -0.39 0.00 3.38 -0.41 -2.44 115.31 116.51 1gm0 h LEU 55 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1gm0 h LEU 55 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1gm0 h LEU 55 CO -0.09 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.90 1gm0 n SER 56 N -3.04 0.30 -0.46 -0.43 3.41 -0.57 -1.57 113.62 111.26 1gm0 n SER 56 Ca -0.02 0.59 0.09 0.00 -0.26 0.00 0.00 58.87 59.27 1gm0 n SER 56 Cb 0.12 -0.65 0.20 0.00 -0.26 0.00 0.00 64.21 63.62 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 -1.85 2.08 -0.85 6.66 5.66 -0.92 -4.56 114.28 120.51 1gm0 n THR 57 Ca 0.02 -2.09 0.08 0.00 -3.05 0.00 0.00 64.05 59.01 1gm0 n THR 57 Cb 0.16 -0.25 0.13 0.00 -1.55 0.00 0.00 70.33 68.83 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 -1.00 1.82 -0.29 1.09 4.76 -0.61 -4.81 118.16 119.11 1gm0 n LYS 58 Ca 0.19 -2.41 0.14 0.00 -2.87 0.00 0.00 58.31 53.36 1gm0 n LYS 58 Cb 0.76 -1.45 0.40 0.00 -1.84 0.00 0.00 35.03 32.90 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 0.28 0.63 -2.21 -0.35 3.38 -1.80 0.04 115.31 115.28 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 0.96 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1gm0 h LEU 59 CO 0.03 0.27 0.00 -0.55 0.09 0.00 0.00 178.44 178.28 1gm0 h ASN 60 N 0.64 0.00 0.01 -0.43 7.08 -1.85 0.11 115.58 121.14 1gm0 h ASN 60 Ca 0.50 0.00 -0.03 0.00 -3.08 0.00 0.00 56.30 53.69 1gm0 h ASN 60 Cb 0.92 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.16 1gm0 h ASN 60 CO -0.25 0.00 -0.13 0.24 -2.08 0.00 0.00 177.43 175.21 1gm0 h MET 61 N 0.00 0.06 -0.70 4.14 2.86 -1.35 -3.38 114.93 116.56 1gm0 h MET 61 Ca 0.00 -0.08 -0.07 0.00 -2.06 0.00 0.00 59.70 57.48 1gm0 h MET 61 Cb 0.25 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 1gm0 h MET 61 CO 0.00 0.95 0.16 -0.07 1.06 0.00 0.00 176.91 179.01 1gm0 h LEU 62 N -0.79 1.07 -7.60 1.22 3.38 -1.09 -3.38 115.31 108.11 1gm0 h LEU 62 Ca -0.02 -0.23 -0.64 0.00 0.09 0.00 0.00 57.88 57.08 1gm0 h LEU 62 Cb 1.01 -0.28 -0.40 0.00 0.09 0.00 0.00 40.66 41.08 1gm0 h LEU 62 CO 0.02 1.03 -0.74 -0.62 0.09 0.00 0.00 178.44 178.22 1gm0 s ASP 63 N -6.48 4.53 0.24 -0.43 -1.08 -0.07 -2.01 116.67 111.37 1gm0 s ASP 63 Ca -0.12 -1.91 0.11 0.00 -0.52 0.00 0.00 52.55 50.11 1gm0 s ASP 63 Cb 0.15 -1.44 0.19 0.00 -1.46 0.00 0.00 42.92 40.35 1gm0 s ASP 63 CO 0.85 -0.36 1.50 1.55 0.52 0.00 0.00 175.17 179.23 1gm0 h PRO 64 N 7.74 0.00 0.00 4.34 0.13 -1.78 -2.86 132.00 139.58 1gm0 h PRO 64 Ca -0.08 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.03 1gm0 h PRO 64 Cb 1.02 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 1gm0 h PRO 64 CO 0.50 0.70 -0.09 0.93 -0.23 0.00 0.00 178.00 179.80 1gm0 h GLU 65 N 0.00 0.00 0.00 0.86 5.08 -1.94 -3.47 114.58 115.11 1gm0 h GLU 65 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1gm0 h GLU 65 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1gm0 h GLU 65 CO 0.09 0.09 0.00 0.41 -1.00 0.00 0.00 179.01 178.60 1gm0 n GLY 66 N 0.07 0.56 0.09 -3.84 0.00 -1.08 -4.99 105.19 95.99 1gm0 n GLY 66 Ca 0.00 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 0.18 -2.33 1.61 2.35 -1.92 -3.42 115.58 112.05 1gm0 h ASN 67 Ca 0.00 -0.28 -0.57 0.00 -0.55 0.00 0.00 56.30 54.90 1gm0 h ASN 67 Cb 0.00 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.32 1gm0 h ASN 67 CO 0.00 0.41 1.33 -0.22 -1.65 0.00 0.00 177.43 177.30 1gm0 s LEU 68 N -9.61 3.79 0.39 1.61 2.96 -1.26 -4.64 118.68 111.92 1gm0 s LEU 68 Ca -0.14 1.96 0.06 0.00 -0.22 0.00 0.00 54.13 55.79 1gm0 s LEU 68 Cb 0.05 -3.52 -0.07 0.00 0.50 0.00 0.00 46.19 43.15 1gm0 s LEU 68 CO 0.70 -1.56 0.02 -1.00 -1.32 0.00 0.00 176.35 173.19 1gm0 s HIS 69 N 6.54 2.36 -1.43 5.38 3.76 -1.16 -4.72 115.29 126.02 1gm0 s HIS 69 Ca 0.89 -0.75 -0.15 0.00 -0.15 0.00 0.00 55.06 54.90 1gm0 s HIS 69 Cb -0.32 -1.64 0.04 0.00 1.11 0.00 0.00 32.58 31.77 1gm0 s HIS 69 CO 0.35 0.33 2.15 1.58 -0.85 0.00 0.00 174.74 178.30 1gm0 n HIS 70 N -0.90 3.71 0.00 1.40 -0.00 -1.26 -2.95 115.22 115.23 1gm0 n HIS 70 Ca -0.04 -2.95 0.00 0.00 0.46 0.00 0.00 57.72 55.19 1gm0 n HIS 70 Cb 0.67 -2.57 0.00 0.00 -0.12 0.00 0.00 29.99 27.97 1gm0 n HIS 70 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1gm0 n GLY 71 N 4.31 0.94 2.56 1.57 0.00 -0.06 -4.92 105.19 109.59 1gm0 n GLY 71 Ca 0.52 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.27 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 0.00 2.28 -1.71 1.61 5.15 -1.15 -4.92 115.26 116.52 1gm0 n ASN 72 Ca 0.00 -3.08 -0.01 0.00 -0.60 0.00 0.00 54.58 50.90 1gm0 n ASN 72 Cb 0.00 -0.68 0.28 0.00 -0.53 0.00 0.00 39.78 38.85 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 1.65 3.96 0.05 5.20 0.00 -1.26 -2.99 120.51 127.12 1gm0 n ALA 73 Ca 0.25 -1.73 -0.21 0.00 0.00 0.00 0.00 53.44 51.76 1gm0 n ALA 73 Cb 0.42 -1.17 -0.14 0.00 0.00 0.00 0.00 19.45 18.56 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 2.60 0.32 -0.40 0.00 2.86 -1.91 0.21 114.93 118.61 1gm0 h MET 74 Ca 0.13 -0.55 -0.13 0.00 -2.06 0.00 0.00 59.70 57.09 1gm0 h MET 74 Cb 1.89 0.20 -0.01 0.00 0.06 0.00 0.00 31.60 33.74 1gm0 h MET 74 CO 0.52 1.22 -0.27 0.93 1.06 0.00 0.00 176.91 180.37 1gm0 h GLU 75 N 0.09 0.85 -0.07 1.72 5.08 -1.88 -0.50 114.58 119.87 1gm0 h GLU 75 Ca -0.35 -0.38 0.03 0.00 -1.00 0.00 0.00 59.36 57.67 1gm0 h GLU 75 Cb 2.07 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 31.26 1gm0 h GLU 75 CO 0.15 1.02 -0.12 0.35 -1.00 0.00 0.00 179.01 179.41 1gm0 h PHE 76 N 0.73 -0.30 -0.08 4.33 3.57 -1.82 0.87 116.94 124.24 1gm0 h PHE 76 Ca 0.09 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.64 1gm0 h PHE 76 Cb 0.82 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.65 1gm0 h PHE 76 CO 0.05 -0.18 -0.25 0.00 -2.23 0.00 0.00 178.31 175.70 1gm0 h ALA 77 N 0.86 -0.28 -0.11 2.41 0.00 -0.32 -0.23 119.26 121.60 1gm0 h ALA 77 Ca 0.07 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1gm0 h ALA 77 Cb 0.26 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1gm0 h ALA 77 CO -0.17 -0.73 -0.02 0.87 0.00 0.00 0.00 179.25 179.21 1gm0 h LYS 78 N -0.34 0.15 -0.87 0.00 1.57 0.18 0.17 116.57 117.43 1gm0 h LYS 78 Ca 0.09 -0.02 0.11 0.00 -1.87 0.00 0.00 60.65 58.96 1gm0 h LYS 78 Cb 0.47 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.67 1gm0 h LYS 78 CO -0.28 0.19 0.50 0.87 -0.57 0.00 0.00 179.45 180.16 1gm0 h LYS 79 N 0.15 0.77 -0.01 3.15 1.79 0.10 -2.00 116.57 120.52 1gm0 h LYS 79 Ca 0.04 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1gm0 h LYS 79 Cb 0.14 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 1gm0 h LYS 79 CO 0.00 0.51 -0.14 0.72 -1.08 0.00 0.00 179.45 179.46 1gm0 n HIS 80 N -4.75 0.00 0.00 -1.35 8.25 -0.29 -4.89 115.22 112.19 1gm0 n HIS 80 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 1gm0 n HIS 80 Cb 0.34 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.39 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 1.27 1.86 3.61 -1.41 0.00 -0.75 -5.02 105.19 104.76 1gm0 n GLY 81 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.17 3.15 1.22 4.61 0.00 -0.11 -4.85 121.76 123.61 1gm0 s ALA 82 Ca 0.00 0.04 -0.18 0.00 0.00 0.00 0.00 51.96 51.82 1gm0 s ALA 82 Cb 0.00 -3.89 0.27 0.00 0.00 0.00 0.00 23.12 19.49 1gm0 s ALA 82 CO 0.00 -2.18 0.94 -0.25 0.00 0.00 0.00 175.76 174.26 1gm0 n ASP 83 N 8.58 -2.00 -0.06 0.00 8.00 -1.26 -1.36 116.55 128.45 1gm0 n ASP 83 Ca 0.17 -1.07 -0.08 0.00 0.71 0.00 0.00 54.79 54.52 1gm0 n ASP 83 Cb 0.47 -0.87 -0.01 0.00 -0.02 0.00 0.00 41.12 40.69 1gm0 n ASP 83 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1gm0 h GLU 84 N 0.00 0.13 -0.79 -1.24 5.08 -1.95 -0.79 114.58 115.02 1gm0 h GLU 84 Ca -0.35 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.06 1gm0 h GLU 84 Cb 1.09 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.25 1gm0 h GLU 84 CO 0.23 0.09 0.47 1.15 -1.00 0.00 0.00 179.01 179.95 1gm0 h THR 85 N 0.13 1.01 -0.28 1.13 2.02 -1.97 0.17 112.91 115.12 1gm0 h THR 85 Ca 0.12 -0.29 -0.05 0.00 0.77 0.00 0.00 66.41 66.95 1gm0 h THR 85 Cb 0.12 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 1gm0 h THR 85 CO -0.16 0.16 -0.01 0.24 0.37 0.00 0.00 175.52 176.12 1gm0 h MET 86 N 0.86 0.50 0.30 6.66 2.86 -1.60 0.18 114.93 124.68 1gm0 h MET 86 Ca 0.35 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.81 1gm0 h MET 86 Cb 0.19 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.81 1gm0 h MET 86 CO -0.18 0.66 -0.14 0.00 1.06 0.00 0.00 176.91 178.31 1gm0 h ALA 87 N 0.82 -0.40 0.00 6.32 0.00 -1.00 -2.90 119.26 122.10 1gm0 h ALA 87 Ca 0.08 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1gm0 h ALA 87 Cb 0.45 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1gm0 h ALA 87 CO 0.02 -0.72 -0.13 0.37 0.00 0.00 0.00 179.25 178.78 1gm0 h GLN 88 N -0.40 0.00 0.73 0.00 5.75 -0.30 0.16 115.11 121.06 1gm0 h GLN 88 Ca -0.04 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.42 1gm0 h GLN 88 Cb 0.31 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.87 1gm0 h GLN 88 CO 0.07 0.13 -0.35 1.96 -2.65 0.00 0.00 178.83 177.98 1gm0 h GLN 89 N 0.00 -0.95 -0.69 1.69 1.08 -0.66 -2.95 115.11 112.62 1gm0 h GLN 89 Ca -0.00 0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 57.21 1gm0 h GLN 89 Cb 0.32 0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 27.94 1gm0 h GLN 89 CO 0.02 -0.63 0.22 -0.07 -0.95 0.00 0.00 178.83 177.42 1gm0 h LEU 90 N -1.00 1.01 -0.50 1.46 3.38 -0.60 -2.05 115.31 117.00 1gm0 h LEU 90 Ca -0.10 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.70 1gm0 h LEU 90 Cb 0.76 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1gm0 h LEU 90 CO 0.17 0.94 0.26 0.40 0.09 0.00 0.00 178.44 180.30 1gm0 h ILE 91 N 1.02 0.98 -0.34 1.22 2.04 -0.93 0.15 117.51 121.65 1gm0 h ILE 91 Ca 0.23 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.91 1gm0 h ILE 91 Cb 0.29 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1gm0 h ILE 91 CO -0.01 0.09 0.22 -0.78 0.00 0.00 0.00 178.15 177.67 1gm0 h ASP 92 N 0.52 0.39 -0.57 1.72 3.58 -1.30 -2.16 116.42 118.60 1gm0 h ASP 92 Ca 0.21 -0.02 0.06 0.00 0.42 0.00 0.00 57.03 57.70 1gm0 h ASP 92 Cb 0.10 -0.10 -0.05 0.00 1.72 0.00 0.00 39.33 41.00 1gm0 h ASP 92 CO -0.14 0.29 0.29 0.40 -2.88 0.00 0.00 179.24 177.20 1gm0 h ILE 93 N 0.45 0.93 -0.16 2.25 2.04 -0.89 0.20 117.51 122.33 1gm0 h ILE 93 Ca 0.12 -0.19 0.05 0.00 1.00 0.00 0.00 64.86 65.84 1gm0 h ILE 93 Cb -0.04 0.34 -0.05 0.00 -0.74 0.00 0.00 36.82 36.33 1gm0 h ILE 93 CO -0.03 0.10 -0.16 0.58 0.00 0.00 0.00 178.15 178.64 1gm0 h VAL 94 N 0.54 0.56 0.01 1.67 2.07 -0.06 -0.00 116.25 121.03 1gm0 h VAL 94 Ca 0.26 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.59 1gm0 h VAL 94 Cb 0.19 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1gm0 h VAL 94 CO -0.19 0.00 -0.89 0.45 0.02 0.00 0.00 177.57 176.96 1gm0 h HIS 95 N -0.19 0.17 -0.20 1.57 3.86 -1.39 -2.15 115.15 116.83 1gm0 h HIS 95 Ca 0.11 -0.10 0.06 0.00 -1.16 0.00 0.00 60.37 59.28 1gm0 h HIS 95 Cb 0.35 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 1gm0 h HIS 95 CO -0.29 0.94 0.22 0.78 0.86 0.00 0.00 177.93 180.43 1gm0 h GLY 96 N 2.17 0.00 0.16 2.45 0.00 -0.04 -1.88 103.07 105.92 1gm0 h GLY 96 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1gm0 h GLY 96 CO 0.13 0.00 -1.55 0.00 0.00 0.00 0.00 176.54 175.11 1gm0 h GLU 98 N 0.00 -0.17 -0.40 0.00 5.08 -0.73 -3.15 114.58 115.22 1gm0 h GLU 98 Ca 0.00 0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 1gm0 h GLU 98 Cb 0.84 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1gm0 h GLU 98 CO 0.00 -0.12 -0.13 0.87 -1.00 0.00 0.00 179.01 178.63 1gm0 h LYS 99 N -0.18 0.79 0.00 2.33 1.79 -1.38 -2.55 116.57 117.37 1gm0 h LYS 99 Ca -0.00 -0.32 -0.08 0.00 -2.18 0.00 0.00 60.65 58.07 1gm0 h LYS 99 Cb 0.16 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 1gm0 h LYS 99 CO -0.00 0.94 -0.38 0.66 -1.08 0.00 0.00 179.45 179.59 1gm0 h SER 100 N 0.60 0.00 -3.41 0.86 4.64 -1.63 -3.41 113.55 111.19 1gm0 h SER 100 Ca 0.10 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.82 1gm0 h SER 100 Cb 0.67 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.66 1gm0 h SER 100 CO 0.05 0.38 0.49 -0.89 -0.87 0.00 0.00 176.83 175.98 1gm0 s THR 101 N -4.06 4.73 0.38 2.95 2.01 -0.96 -5.01 115.64 115.68 1gm0 s THR 101 Ca -0.02 1.29 -0.27 0.00 0.31 0.00 0.00 61.69 62.99 1gm0 s THR 101 Cb 0.14 -4.21 -0.10 0.00 0.01 0.00 0.00 72.50 68.34 1gm0 s THR 101 CO 0.71 -0.30 1.37 -2.16 -0.69 0.00 0.00 174.62 173.55 1gm0 s PRO 102 N 3.11 4.10 -1.11 4.92 0.04 -1.26 -4.80 135.00 139.99 1gm0 s PRO 102 Ca 0.35 2.33 -0.24 0.00 0.04 0.00 0.00 61.00 63.48 1gm0 s PRO 102 Cb -0.14 -2.90 -0.10 0.00 0.04 0.00 0.00 34.50 31.40 1gm0 s PRO 102 CO 0.13 -0.45 1.98 0.00 0.04 0.00 0.00 177.00 178.70 1gm0 s ALA 103 N -1.18 1.56 0.85 8.56 0.00 -1.26 -4.90 121.76 125.40 1gm0 s ALA 103 Ca 0.54 -1.91 -0.12 0.00 0.00 0.00 0.00 51.96 50.47 1gm0 s ALA 103 Cb -0.42 -4.66 0.11 0.00 0.00 0.00 0.00 23.12 18.15 1gm0 s ALA 103 CO 0.55 -5.40 1.18 -1.71 0.00 0.00 0.00 175.76 170.37 1gm0 n ASN 104 N 15.16 0.76 -0.31 0.00 5.15 -1.26 -4.92 115.26 129.84 1gm0 n ASN 104 Ca 0.44 0.53 -0.00 0.00 -0.60 0.00 0.00 54.58 54.94 1gm0 n ASN 104 Cb 0.47 -1.50 0.18 0.00 -0.53 0.00 0.00 39.78 38.40 1gm0 n ASN 104 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 1gm0 h ASP 105 N -1.25 1.02 -3.73 1.20 3.58 -2.01 -3.41 116.42 111.81 1gm0 h ASP 105 Ca -0.45 -0.02 -0.63 0.00 0.42 0.00 0.00 57.03 56.35 1gm0 h ASP 105 Cb 1.29 -0.25 -0.16 0.00 1.72 0.00 0.00 39.33 41.93 1gm0 h ASP 105 CO 0.44 0.73 -0.52 -0.62 -2.88 0.00 0.00 179.24 176.39 1gm0 s ASP 106 N -6.20 6.04 0.14 2.28 -1.08 -1.26 -4.99 116.67 111.60 1gm0 s ASP 106 Ca -0.12 0.05 -0.15 0.00 -0.52 0.00 0.00 52.55 51.80 1gm0 s ASP 106 Cb 0.18 -2.11 0.01 0.00 -1.46 0.00 0.00 42.92 39.54 1gm0 s ASP 106 CO 0.80 0.01 1.68 0.50 0.52 0.00 0.00 175.17 178.69 1gm0 h LYS 107 N 7.93 0.65 -0.17 4.34 1.63 -1.99 -0.81 116.57 128.14 1gm0 h LYS 107 Ca -0.37 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 59.32 1gm0 h LYS 107 Cb 1.18 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.70 1gm0 h LYS 107 CO 0.60 0.60 0.11 0.00 -3.45 0.00 0.00 179.45 177.32 1gm0 h ILE 109 N 0.23 1.24 0.05 0.00 2.04 -1.71 0.09 117.51 119.45 1gm0 h ILE 109 Ca 0.06 -0.77 0.03 0.00 1.00 0.00 0.00 64.86 65.18 1gm0 h ILE 109 Cb -0.02 0.46 -0.05 0.00 -0.74 0.00 0.00 36.82 36.47 1gm0 h ILE 109 CO -0.02 0.31 -0.37 -0.25 0.00 0.00 0.00 178.15 177.82 1gm0 h TRP 110 N 0.97 -1.04 -0.96 1.37 7.01 -0.94 -1.98 115.95 120.39 1gm0 h TRP 110 Ca 0.23 0.03 0.10 0.00 2.11 0.00 0.00 58.89 61.36 1gm0 h TRP 110 Cb 0.21 0.45 -0.07 0.00 -2.10 0.00 0.00 29.16 27.65 1gm0 h TRP 110 CO 0.01 -0.47 0.61 1.15 -2.79 0.00 0.00 178.44 176.96 1gm0 h THR 111 N -0.56 0.96 -0.08 2.65 2.02 -0.20 0.10 112.91 117.81 1gm0 h THR 111 Ca 0.04 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 1gm0 h THR 111 Cb 0.62 -0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1gm0 h THR 111 CO -0.27 0.18 0.03 0.25 0.37 0.00 0.00 175.52 176.08 1gm0 h LEU 112 N 0.97 0.11 -0.40 2.58 7.12 -0.77 -0.29 115.31 124.62 1gm0 h LEU 112 Ca 0.45 -0.16 0.00 0.00 0.13 0.00 0.00 57.88 58.30 1gm0 h LEU 112 Cb 0.41 -0.03 -0.02 0.00 -0.53 0.00 0.00 40.66 40.49 1gm0 h LEU 112 CO -0.21 0.24 0.26 1.23 -0.13 0.00 0.00 178.44 179.83 1gm0 h GLY 113 N -0.03 0.57 0.69 3.75 0.00 -0.47 -1.22 103.07 106.36 1gm0 h GLY 113 Ca 0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1gm0 h GLY 113 CO -0.00 0.21 -0.34 -2.08 0.00 0.00 0.00 176.54 174.33 1gm0 h VAL 114 N 0.54 0.29 -0.26 4.60 2.07 -0.74 -0.07 116.25 122.68 1gm0 h VAL 114 Ca 0.15 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.60 1gm0 h VAL 114 Cb -0.05 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 1gm0 h VAL 114 CO -0.03 0.00 -0.12 0.00 0.02 0.00 0.00 177.57 177.44 1gm0 h ALA 115 N -0.30 1.32 -0.39 1.67 0.00 -0.97 -0.35 119.26 120.23 1gm0 h ALA 115 Ca -0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1gm0 h ALA 115 Cb 0.66 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1gm0 h ALA 115 CO -0.03 0.46 0.21 1.15 0.00 0.00 0.00 179.25 181.05 1gm0 h THR 116 N 0.41 1.15 -0.56 0.00 2.02 -1.08 -2.81 112.91 112.03 1gm0 h THR 116 Ca 0.08 -0.38 0.07 0.00 0.77 0.00 0.00 66.41 66.94 1gm0 h THR 116 Cb 0.45 0.69 -0.06 0.00 -1.74 0.00 0.00 68.15 67.50 1gm0 h THR 116 CO 0.03 0.15 0.25 0.00 0.37 0.00 0.00 175.52 176.31 1gm0 h PHE 118 N 0.46 -1.31 -0.90 0.00 3.57 -0.93 0.78 116.94 118.62 1gm0 h PHE 118 Ca 0.26 0.02 0.24 0.00 3.53 0.00 0.00 57.97 62.03 1gm0 h PHE 118 Cb 0.25 0.54 -0.16 0.00 2.79 0.00 0.00 35.95 39.36 1gm0 h PHE 118 CO -0.13 -0.56 0.10 -0.22 -2.23 0.00 0.00 178.31 175.27 1gm0 h LYS 119 N -0.77 0.09 -0.18 1.11 3.11 -1.34 -1.04 116.57 117.54 1gm0 h LYS 119 Ca -0.03 -0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.79 1gm0 h LYS 119 Cb 0.72 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.92 1gm0 h LYS 119 CO -0.16 0.06 0.05 0.00 -2.81 0.00 0.00 179.45 176.58 1gm0 h ALA 120 N 1.86 0.24 -0.85 5.00 0.00 -0.17 -3.04 119.26 122.30 1gm0 h ALA 120 Ca 0.55 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 1gm0 h ALA 120 Cb 1.11 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1gm0 h ALA 120 CO -0.78 -0.12 0.51 0.93 0.00 0.00 0.00 179.25 179.79 1gm0 h GLU 121 N 0.11 1.15 -0.09 0.00 4.39 0.35 -0.87 114.58 119.63 1gm0 h GLU 121 Ca 0.06 -0.10 0.03 0.00 0.34 0.00 0.00 59.36 59.68 1gm0 h GLU 121 Cb 0.26 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1gm0 h GLU 121 CO -0.00 0.80 0.07 0.82 -1.16 0.00 0.00 179.01 179.54 1gm0 h ILE 122 N 1.17 0.85 0.00 3.13 2.04 -1.23 0.11 117.51 123.58 1gm0 h ILE 122 Ca 0.31 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.12 1gm0 h ILE 122 Cb -0.05 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1gm0 h ILE 122 CO -0.06 0.00 -0.20 -0.74 0.00 0.00 0.00 178.15 177.16 1gm0 h HIS 123 N 0.00 0.00 0.00 1.37 2.76 -1.04 -2.08 115.15 116.16 1gm0 h HIS 123 Ca 0.04 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.09 1gm0 h HIS 123 Cb 0.18 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.12 1gm0 h HIS 123 CO 0.00 0.20 -0.58 -0.22 -1.30 0.00 0.00 177.93 176.02 1gm0 h LYS 124 N 0.00 0.00 -7.23 5.26 3.64 -0.83 -3.46 116.57 113.95 1gm0 h LYS 124 Ca -0.00 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.86 1gm0 h LYS 124 Cb 0.37 0.00 0.20 0.00 -0.41 0.00 0.00 32.23 32.40 1gm0 h LYS 124 CO 0.03 0.58 0.16 1.28 -2.27 0.00 0.00 179.45 179.23 1gm0 n LEU 125 N -3.27 2.74 -0.16 5.20 4.77 -0.77 -4.93 117.00 120.57 1gm0 n LEU 125 Ca 0.01 0.36 0.15 0.00 -0.03 0.00 0.00 56.01 56.50 1gm0 n LEU 125 Cb 0.76 -1.45 0.67 0.00 -2.33 0.00 0.00 43.42 41.07 1gm0 n LEU 125 CO 0.41 -2.33 0.92 -0.46 -1.33 0.00 0.00 177.39 174.61 1gm0 n ASN 126 N -4.19 0.57 -4.20 -1.43 6.94 -1.26 -4.89 115.26 106.80 1gm0 n ASN 126 Ca 0.11 -0.85 -0.12 0.00 -0.02 0.00 0.00 54.58 53.70 1gm0 n ASN 126 Cb 0.52 -0.04 -0.10 0.00 -2.36 0.00 0.00 39.78 37.80 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 -2.27 1.11 -0.29 -2.53 1.48 -1.26 -5.14 118.94 110.04 1gm0 s TRP 127 Ca 0.35 -1.27 0.03 0.00 -1.06 0.00 0.00 56.10 54.14 1gm0 s TRP 127 Cb 0.21 -0.59 0.08 0.00 -1.16 0.00 0.00 33.47 32.01 1gm0 s TRP 127 CO 0.42 -0.52 -0.02 0.00 -4.06 0.00 0.00 176.95 172.78 1gm0 s ALA 128 N -4.02 2.46 0.85 2.67 0.00 -1.26 -4.88 121.76 117.58 1gm0 s ALA 128 Ca 0.32 -1.96 -0.13 0.00 0.00 0.00 0.00 51.96 50.19 1gm0 s ALA 128 Cb 0.07 -1.70 0.06 0.00 0.00 0.00 0.00 23.12 21.55 1gm0 s ALA 128 CO 0.08 -1.43 0.85 -2.30 0.00 0.00 0.00 175.76 172.97 1gm0 n PRO 129 N 4.46 -0.03 -1.45 0.00 -0.02 -1.26 -4.99 135.00 131.70 1gm0 n PRO 129 Ca -0.06 0.06 -0.35 0.00 -2.02 0.00 0.00 63.50 61.13 1gm0 n PRO 129 Cb 0.42 -2.16 0.10 0.00 -0.02 0.00 0.00 33.50 31.84 1gm0 n PRO 129 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1gm0 s SER 130 N -2.06 4.14 0.26 2.55 0.01 -1.26 -4.83 113.70 112.51 1gm0 s SER 130 Ca 0.66 2.48 -0.02 0.00 1.31 0.00 0.00 55.95 60.38 1gm0 s SER 130 Cb -0.27 -2.60 0.34 0.00 0.21 0.00 0.00 66.02 63.70 1gm0 s SER 130 CO 0.58 -2.31 1.77 0.24 0.41 0.00 0.00 173.24 173.93 1gm0 h MET 131 N -0.16 0.80 -0.71 12.44 2.86 -1.97 -1.10 114.93 127.09 1gm0 h MET 131 Ca -0.49 -0.21 0.04 0.00 -2.06 0.00 0.00 59.70 56.99 1gm0 h MET 131 Cb 1.31 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.83 1gm0 h MET 131 CO 0.50 0.79 0.44 -0.44 1.06 0.00 0.00 176.91 179.26 1gm0 h ASP 132 N 0.75 0.70 0.11 1.22 5.19 -1.97 0.23 116.42 122.66 1gm0 h ASP 132 Ca 0.15 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.56 1gm0 h ASP 132 Cb 0.43 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.80 1gm0 h ASP 132 CO 0.02 0.47 -0.06 0.58 -3.12 0.00 0.00 179.24 177.13 1gm0 h VAL 133 N 0.84 0.00 0.00 -1.35 2.07 -1.88 -0.29 116.25 115.63 1gm0 h VAL 133 Ca 0.29 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.81 1gm0 h VAL 133 Cb 0.07 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.84 1gm0 h VAL 133 CO -0.13 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.46 1gm0 h ALA 134 N -1.91 1.00 0.00 1.67 0.00 -0.98 0.12 119.26 119.15 1gm0 h ALA 134 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1gm0 h ALA 134 Cb 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1gm0 h ALA 134 CO 0.02 0.00 -1.33 0.28 0.00 0.00 0.00 179.25 178.22 1gm0 n VAL 135 N -2.35 0.61 -0.04 0.00 0.31 0.79 -4.00 118.33 113.66 1gm0 n VAL 135 Ca 0.02 -0.57 -0.14 0.00 -0.01 0.00 0.00 64.34 63.64 1gm0 n VAL 135 Cb 0.27 -0.34 -0.09 0.00 -0.91 0.00 0.00 33.84 32.77 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 3.95 0.30 0.85 2.92 0.00 0.85 -3.35 103.07 108.59 1gm0 h GLY 136 Ca -0.05 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1gm0 h GLY 136 CO 0.01 0.33 0.04 0.83 0.00 0.00 0.00 176.54 177.75 1gm0 h GLU 137 N -0.21 0.18 0.00 4.80 4.39 -1.04 -1.65 114.58 121.05 1gm0 h GLU 137 Ca -0.00 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1gm0 h GLU 137 Cb 0.80 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.42 1gm0 h GLU 137 CO 0.04 0.31 -0.02 0.97 -1.16 0.00 0.00 179.01 179.15 1gm0 h ILE 138 N 0.02 0.51 0.17 3.13 2.10 -1.74 -1.72 117.51 119.99 1gm0 h ILE 138 Ca 0.04 -0.07 -0.33 0.00 1.08 0.00 0.00 64.86 65.57 1gm0 h ILE 138 Cb 0.20 1.05 0.01 0.00 -1.09 0.00 0.00 36.82 36.98 1gm0 h ILE 138 CO -0.00 0.02 -1.64 -0.07 -1.08 0.00 0.00 178.15 175.38 1gm0 h LEU 139 N 0.00 0.57 -1.77 2.19 3.38 -1.50 -0.09 115.31 118.09 1gm0 h LEU 139 Ca -0.00 -0.79 0.32 0.00 0.09 0.00 0.00 57.88 57.50 1gm0 h LEU 139 Cb 0.05 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 1gm0 h LEU 139 CO 0.00 1.65 0.78 0.00 0.09 0.00 0.00 178.44 180.97 1gm0 h ALA 140 N 0.26 2.80 0.00 1.53 0.00 -0.46 -3.38 119.26 120.01 1gm0 h ALA 140 Ca -0.30 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 1gm0 h ALA 140 Cb 2.08 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.93 1gm0 h ALA 140 CO 0.19 -1.17 -1.13 0.39 0.00 0.00 0.00 179.25 177.53 1gm0 n GLU 141 N -4.35 0.33 0.00 0.00 1.02 -0.85 -0.88 120.64 115.91 1gm0 n GLU 141 Ca 0.25 0.14 0.04 0.00 -0.02 0.00 0.00 57.16 57.57 1gm0 n GLU 141 Cb 1.12 -1.07 0.23 0.00 -0.02 0.00 0.00 31.44 31.70 1gm0 n GLU 141 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59