#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gm0 n GLN 2 N 0.00 0.00 -1.26 1.43 6.02 -1.26 -4.39 117.38 117.92 1gm0 n GLN 2 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 1gm0 n GLN 2 Cb 0.00 0.00 0.12 0.00 1.02 0.00 0.00 30.24 31.38 1gm0 n GLN 2 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1gm0 n GLU 3 N -0.62 2.52 -3.55 -1.09 2.13 -1.26 -4.78 120.64 113.99 1gm0 n GLU 3 Ca 0.00 -3.62 -0.28 0.00 0.66 0.00 0.00 57.16 53.92 1gm0 n GLU 3 Cb 0.00 -1.97 -0.11 0.00 0.27 0.00 0.00 31.44 29.63 1gm0 n GLU 3 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1gm0 s VAL 4 N -3.89 0.98 0.00 6.31 1.01 -1.26 -4.86 120.40 118.69 1gm0 s VAL 4 Ca 0.47 -2.82 0.00 0.00 0.00 0.00 0.00 61.98 59.63 1gm0 s VAL 4 Cb 0.40 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 35.11 1gm0 s VAL 4 CO -0.01 -1.10 0.72 1.15 0.00 0.00 0.00 175.10 175.86 1gm0 n MET 5 N 2.96 0.00 -0.78 2.72 0.00 -1.26 -5.12 117.12 115.64 1gm0 n MET 5 Ca 0.22 -0.69 -0.31 0.00 0.00 0.00 0.00 57.70 56.92 1gm0 n MET 5 Cb 0.42 -0.46 0.16 0.00 0.00 0.00 0.00 33.22 33.34 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 0.00 1.13 0.19 3.17 1.02 -1.26 -5.06 119.74 118.93 1gm0 s LYS 6 Ca 0.00 1.46 -0.02 0.00 0.02 0.00 0.00 55.97 57.43 1gm0 s LYS 6 Cb 0.00 -1.75 -0.04 0.00 -0.52 0.00 0.00 37.83 35.53 1gm0 s LYS 6 CO 0.00 -2.52 0.14 1.21 -0.92 0.00 0.00 175.35 173.26 1gm0 s ASN 7 N -2.78 0.17 -0.26 2.83 2.47 -1.26 -5.07 114.94 111.04 1gm0 s ASN 7 Ca 0.66 -1.29 -0.36 0.00 0.42 0.00 0.00 52.86 52.29 1gm0 s ASN 7 Cb -0.22 0.38 -0.13 0.00 -1.45 0.00 0.00 41.25 39.83 1gm0 s ASN 7 CO 0.58 -0.84 1.97 -0.11 -3.72 0.00 0.00 177.10 174.98 1gm0 n LEU 8 N -0.23 2.58 0.01 3.21 -0.00 -1.26 -4.87 117.00 116.44 1gm0 n LEU 8 Ca -0.00 0.77 0.11 0.00 -0.00 0.00 0.00 56.01 56.89 1gm0 n LEU 8 Cb 0.65 -1.26 -0.13 0.00 -0.00 0.00 0.00 43.42 42.68 1gm0 n LEU 8 CO 0.31 -0.45 -0.58 -1.20 -0.00 0.00 0.00 177.39 175.47 1gm0 n SER 9 N 7.61 0.20 -4.77 1.96 7.64 -1.26 -4.97 113.62 120.02 1gm0 n SER 9 Ca 0.31 0.03 -0.32 0.00 1.01 0.00 0.00 58.87 59.90 1gm0 n SER 9 Cb 0.22 1.66 0.06 0.00 -1.01 0.00 0.00 64.21 65.13 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 -4.63 3.31 -1.40 -3.43 1.43 -1.26 -4.94 118.68 107.76 1gm0 s LEU 10 Ca -0.06 1.94 -0.08 0.00 -1.03 0.00 0.00 54.13 54.90 1gm0 s LEU 10 Cb 0.13 -4.54 0.07 0.00 0.03 0.00 0.00 46.19 41.88 1gm0 s LEU 10 CO 0.88 -1.69 2.38 -3.20 0.23 0.00 0.00 176.35 174.95 1gm0 n ASN 11 N -2.67 7.02 0.05 2.29 2.85 -1.25 -4.69 115.26 118.86 1gm0 n ASN 11 Ca 0.10 -2.97 -0.05 0.00 -0.11 0.00 0.00 54.58 51.55 1gm0 n ASN 11 Cb 0.52 -1.47 0.14 0.00 1.24 0.00 0.00 39.78 40.21 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 5.13 0.47 -0.04 1.20 0.04 -1.92 -3.20 116.94 118.62 1gm0 h PHE 12 Ca 0.66 -0.15 0.03 0.00 2.80 0.00 0.00 57.97 61.31 1gm0 h PHE 12 Cb 0.41 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 38.43 1gm0 h PHE 12 CO 1.57 0.79 -0.18 0.78 -0.60 0.00 0.00 178.31 180.67 1gm0 h GLY 13 N 1.21 -0.20 0.89 -1.45 0.00 -1.98 0.18 103.07 101.72 1gm0 h GLY 13 Ca 0.02 0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.56 1gm0 h GLY 13 CO 0.08 -0.17 -0.05 0.50 0.00 0.00 0.00 176.54 176.91 1gm0 h LYS 14 N -0.27 -0.13 -0.73 4.80 1.79 -1.96 -0.53 116.57 119.55 1gm0 h LYS 14 Ca 0.07 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.59 1gm0 h LYS 14 Cb 0.36 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.00 1gm0 h LYS 14 CO -0.20 0.01 0.45 0.00 -1.08 0.00 0.00 179.45 178.64 1gm0 h ALA 15 N 0.65 0.96 -0.24 3.86 0.00 -1.44 -0.27 119.26 122.78 1gm0 h ALA 15 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1gm0 h ALA 15 Cb 0.20 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1gm0 h ALA 15 CO 0.02 0.22 0.12 -0.07 0.00 0.00 0.00 179.25 179.54 1gm0 h LEU 16 N 0.87 0.31 -2.00 0.00 3.38 -0.63 -0.13 115.31 117.10 1gm0 h LEU 16 Ca 0.30 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1gm0 h LEU 16 Cb 0.06 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1gm0 h LEU 16 CO -0.13 0.34 -0.01 -0.78 0.09 0.00 0.00 178.44 177.95 1gm0 h ASP 17 N 0.26 0.00 0.15 -0.43 3.58 -0.24 0.17 116.42 119.91 1gm0 h ASP 17 Ca 0.08 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.23 1gm0 h ASP 17 Cb 0.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.16 1gm0 h ASP 17 CO -0.01 0.01 -1.50 -0.33 -2.88 0.00 0.00 179.24 174.53 1gm0 h GLU 18 N 0.00 0.31 -0.40 0.28 5.08 -0.87 -3.32 114.58 115.65 1gm0 h GLU 18 Ca -0.00 -0.53 -0.01 0.00 -1.00 0.00 0.00 59.36 57.82 1gm0 h GLU 18 Cb 0.03 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1gm0 h GLU 18 CO 0.00 1.25 0.21 0.00 -1.00 0.00 0.00 179.01 179.47 1gm0 h LYS 20 N 0.52 0.00 0.00 0.00 5.09 -0.83 0.03 116.57 121.38 1gm0 h LYS 20 Ca 0.14 0.00 -0.23 0.00 0.09 0.00 0.00 60.65 60.65 1gm0 h LYS 20 Cb 0.08 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 32.37 1gm0 h LYS 20 CO -0.02 0.00 -1.72 1.63 -2.09 0.00 0.00 179.45 177.25 1gm0 n LYS 21 N -2.89 0.64 0.20 0.07 5.02 -0.59 -2.88 118.16 117.72 1gm0 n LYS 21 Ca -0.03 0.18 -0.08 0.00 -2.02 0.00 0.00 58.31 56.36 1gm0 n LYS 21 Cb 0.10 -1.73 -0.04 0.00 -0.02 0.00 0.00 35.03 33.34 1gm0 n LYS 21 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1gm0 h GLU 22 N 0.00 -0.52 0.00 1.97 5.08 -0.16 -3.34 114.58 117.61 1gm0 h GLU 22 Ca -0.26 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1gm0 h GLU 22 Cb 1.80 0.12 0.00 0.00 0.50 0.00 0.00 28.75 31.17 1gm0 h GLU 22 CO 0.05 -0.35 0.00 -1.33 -1.00 0.00 0.00 179.01 176.38 1gm0 n MET 23 N -4.24 0.26 -3.66 2.33 0.00 -0.21 -4.92 117.12 106.68 1gm0 n MET 23 Ca -0.07 0.26 -0.30 0.00 0.00 0.00 0.00 57.70 57.59 1gm0 n MET 23 Cb 0.21 -1.83 0.04 0.00 0.00 0.00 0.00 33.22 31.65 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 -2.28 -5.97 -1.41 2.03 -1.04 -1.14 -5.03 114.28 99.44 1gm0 n THR 24 Ca 0.05 -0.91 -0.29 0.00 -2.04 0.00 0.00 64.05 60.85 1gm0 n THR 24 Cb 0.39 -4.41 0.19 0.00 -1.82 0.00 0.00 70.33 64.68 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 -6.32 1.61 0.87 -4.42 1.43 -1.14 -5.03 118.68 105.68 1gm0 s LEU 25 Ca 0.45 0.69 -0.11 0.00 -1.03 0.00 0.00 54.13 54.13 1gm0 s LEU 25 Cb -0.16 -2.70 0.12 0.00 0.03 0.00 0.00 46.19 43.48 1gm0 s LEU 25 CO 0.86 -3.27 1.10 0.42 0.23 0.00 0.00 176.35 175.69 1gm0 s THR 26 N -3.28 2.69 0.23 5.49 -4.23 -1.26 -4.90 115.64 110.38 1gm0 s THR 26 Ca 0.69 0.23 0.03 0.00 -1.18 0.00 0.00 61.69 61.46 1gm0 s THR 26 Cb -0.11 -2.54 -0.03 0.00 1.34 0.00 0.00 72.50 71.16 1gm0 s THR 26 CO 0.55 -0.29 1.57 -0.78 -0.54 0.00 0.00 174.62 175.12 1gm0 h ASP 27 N -1.57 0.35 0.47 3.99 3.58 -1.96 -3.25 116.42 118.03 1gm0 h ASP 27 Ca -0.46 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 56.80 1gm0 h ASP 27 Cb 1.26 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.21 1gm0 h ASP 27 CO 0.49 0.84 0.00 0.00 -2.88 0.00 0.00 179.24 177.69 1gm0 n ALA 28 N -2.48 1.53 -0.37 -0.78 0.00 -1.26 -2.52 120.51 114.62 1gm0 n ALA 28 Ca -0.02 0.03 0.30 0.00 0.00 0.00 0.00 53.44 53.74 1gm0 n ALA 28 Cb 0.60 -1.27 0.60 0.00 0.00 0.00 0.00 19.45 19.38 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 0.36 -1.01 0.00 -0.00 -1.95 -0.74 117.51 114.18 1gm0 h ILE 29 Ca 0.00 -0.08 0.24 0.00 -0.00 0.00 0.00 64.86 65.03 1gm0 h ILE 29 Cb 0.24 0.12 -0.12 0.00 -0.00 0.00 0.00 36.82 37.06 1gm0 h ILE 29 CO 0.00 0.04 0.60 -1.13 -0.00 0.00 0.00 178.15 177.66 1gm0 h ASN 30 N 0.22 0.68 0.00 2.16 -0.73 -1.77 -1.87 115.58 114.26 1gm0 h ASN 30 Ca 0.67 0.13 -0.09 0.00 1.87 0.00 0.00 56.30 58.88 1gm0 h ASN 30 Cb 2.03 0.02 -0.02 0.00 0.27 0.00 0.00 38.32 40.62 1gm0 h ASN 30 CO -0.28 0.12 -1.44 -0.62 -0.37 0.00 0.00 177.43 174.85 1gm0 n GLU 31 N -4.86 2.22 -0.32 6.67 1.02 -0.98 -4.56 120.64 119.82 1gm0 n GLU 31 Ca 0.27 -0.02 0.03 0.00 -0.02 0.00 0.00 57.16 57.42 1gm0 n GLU 31 Cb 0.73 -1.18 0.17 0.00 -0.02 0.00 0.00 31.44 31.15 1gm0 n GLU 31 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1gm0 h ASP 32 N 0.00 0.80 -0.59 1.62 3.32 -1.02 0.22 116.42 120.78 1gm0 h ASP 32 Ca -0.14 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1gm0 h ASP 32 Cb 1.15 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.55 1gm0 h ASP 32 CO 0.01 0.47 0.37 0.15 -1.72 0.00 0.00 179.24 178.52 1gm0 h PHE 33 N 0.91 0.75 -0.05 4.55 3.57 -1.58 -1.22 116.94 123.87 1gm0 h PHE 33 Ca 0.41 0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.75 1gm0 h PHE 33 Cb 0.31 -0.25 0.01 0.00 2.79 0.00 0.00 35.95 38.81 1gm0 h PHE 33 CO -0.04 0.50 -0.65 1.88 -2.23 0.00 0.00 178.31 177.77 1gm0 h TYR 34 N 0.79 0.74 -0.86 0.41 -1.99 -1.60 -3.29 116.97 111.17 1gm0 h TYR 34 Ca 0.21 -0.37 0.05 0.00 2.00 0.00 0.00 58.73 60.62 1gm0 h TYR 34 Cb -0.06 -0.10 -0.05 0.00 2.00 0.00 0.00 36.73 38.52 1gm0 h TYR 34 CO -0.03 1.18 0.56 -0.91 -0.00 0.00 0.00 178.16 178.96 1gm0 h ASN 35 N 0.10 0.88 -0.84 3.88 2.35 -0.43 -2.43 115.58 119.08 1gm0 h ASN 35 Ca -0.07 -0.00 0.17 0.00 -0.55 0.00 0.00 56.30 55.85 1gm0 h ASN 35 Cb 1.32 -0.19 -0.06 0.00 0.05 0.00 0.00 38.32 39.43 1gm0 h ASN 35 CO 0.13 0.59 0.56 0.15 -1.65 0.00 0.00 177.43 177.20 1gm0 h PHE 36 N 1.01 0.56 0.00 1.19 3.57 -1.29 -1.12 116.94 120.86 1gm0 h PHE 36 Ca 0.36 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.86 1gm0 h PHE 36 Cb 0.12 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.69 1gm0 h PHE 36 CO -0.00 0.18 -0.05 -1.49 -2.23 0.00 0.00 178.31 174.72 1gm0 h TRP 37 N 0.45 0.00 -4.04 0.41 6.55 -1.61 -3.45 115.95 114.27 1gm0 h TRP 37 Ca 0.43 0.00 -0.48 0.00 0.95 0.00 0.00 58.89 59.79 1gm0 h TRP 37 Cb 0.98 0.00 0.02 0.00 -0.86 0.00 0.00 29.16 29.30 1gm0 h TRP 37 CO -0.00 0.05 0.40 0.15 -1.05 0.00 0.00 178.44 177.98 1gm0 s LYS 38 N -3.65 3.91 0.76 0.49 1.02 -0.42 -5.03 119.74 116.81 1gm0 s LYS 38 Ca 0.01 1.42 -0.12 0.00 0.02 0.00 0.00 55.97 57.31 1gm0 s LYS 38 Cb 0.09 -2.24 0.05 0.00 -0.52 0.00 0.00 37.83 35.21 1gm0 s LYS 38 CO 0.57 -0.35 1.10 -1.21 -0.92 0.00 0.00 175.35 174.55 1gm0 s GLU 39 N -2.99 2.27 0.00 1.68 8.01 -1.26 -3.39 118.70 123.02 1gm0 s GLU 39 Ca 0.64 1.27 0.00 0.00 0.01 0.00 0.00 54.97 56.89 1gm0 s GLU 39 Cb -0.18 -1.89 0.00 0.00 -4.31 0.00 0.00 34.13 27.74 1gm0 s GLU 39 CO 0.23 -1.64 0.00 0.41 0.01 0.00 0.00 175.26 174.26 1gm0 n GLY 40 N -0.89 0.78 3.52 -1.39 0.00 -1.26 -4.92 105.19 101.03 1gm0 n GLY 40 Ca 0.10 0.00 -0.42 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 -1.13 2.55 -1.34 1.61 2.02 -1.22 -4.94 117.35 114.91 1gm0 s TYR 41 Ca 0.00 -0.56 -0.11 0.00 -0.37 0.00 0.00 57.07 56.03 1gm0 s TYR 41 Cb 0.00 -4.53 0.13 0.00 -0.40 0.00 0.00 41.96 37.16 1gm0 s TYR 41 CO 0.00 -1.86 1.99 -1.91 -1.57 0.00 0.00 175.55 172.19 1gm0 n GLU 42 N 8.48 3.39 -2.63 -0.62 2.13 -1.26 -4.75 120.64 125.37 1gm0 n GLU 42 Ca 0.13 -3.24 -0.42 0.00 0.66 0.00 0.00 57.16 54.29 1gm0 n GLU 42 Cb 0.49 -3.04 -0.03 0.00 0.27 0.00 0.00 31.44 29.13 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 1.25 3.96 -0.06 6.31 -1.09 -1.26 -4.82 121.20 125.49 1gm0 s ILE 43 Ca 0.42 -0.24 0.09 0.00 -2.23 0.00 0.00 60.65 58.70 1gm0 s ILE 43 Cb 0.11 -4.91 0.14 0.00 -1.58 0.00 0.00 42.46 36.22 1gm0 s ILE 43 CO -0.02 -1.79 1.04 2.29 -1.23 0.00 0.00 174.94 175.22 1gm0 n LYS 44 N 8.72 1.00 0.00 2.79 2.85 -1.26 -4.91 118.16 127.35 1gm0 n LYS 44 Ca 0.13 -1.81 0.00 0.00 -1.05 0.00 0.00 58.31 55.57 1gm0 n LYS 44 Cb 0.49 -1.06 0.00 0.00 -0.65 0.00 0.00 35.03 33.81 1gm0 n LYS 44 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1gm0 n ASN 45 N -0.78 0.00 -0.04 -5.58 5.15 -1.26 -5.06 115.26 107.69 1gm0 n ASN 45 Ca 0.08 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.97 1gm0 n ASN 45 Cb 0.60 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.82 1gm0 n ASN 45 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1gm0 n ARG 46 N 0.00 0.24 -0.32 1.20 1.74 -1.26 -4.58 116.66 113.68 1gm0 n ARG 46 Ca 0.00 0.10 0.07 0.00 -0.77 0.00 0.00 57.85 57.25 1gm0 n ARG 46 Cb 0.00 -0.90 0.22 0.00 -1.02 0.00 0.00 32.46 30.76 1gm0 n ARG 46 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1gm0 h GLU 47 N -0.41 0.75 -0.66 5.56 3.07 -1.97 -0.64 114.58 120.27 1gm0 h GLU 47 Ca -0.18 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 58.56 1gm0 h GLU 47 Cb 0.94 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 28.66 1gm0 h GLU 47 CO -0.11 0.49 0.15 1.15 -1.40 0.00 0.00 179.01 179.29 1gm0 h THR 48 N 0.77 1.26 -0.29 1.13 2.02 -1.94 0.35 112.91 116.21 1gm0 h THR 48 Ca 0.46 -0.96 -0.08 0.00 0.77 0.00 0.00 66.41 66.60 1gm0 h THR 48 Cb 0.56 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 1gm0 h THR 48 CO -0.31 0.36 -0.18 1.23 0.37 0.00 0.00 175.52 176.99 1gm0 h GLY 49 N 1.06 0.55 1.16 2.16 0.00 -1.38 -1.26 103.07 105.36 1gm0 h GLY 49 Ca 0.21 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 1gm0 h GLY 49 CO 0.00 0.38 0.18 0.00 0.00 0.00 0.00 176.54 177.11 1gm0 h ALA 51 N 1.19 -0.21 -0.06 0.00 0.00 0.30 0.12 119.26 120.59 1gm0 h ALA 51 Ca 0.22 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.13 1gm0 h ALA 51 Cb 0.32 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1gm0 h ALA 51 CO -0.00 -0.63 -0.30 0.82 0.00 0.00 0.00 179.25 179.14 1gm0 h ILE 52 N -0.23 0.33 -0.87 0.00 2.04 -1.11 0.11 117.51 117.78 1gm0 h ILE 52 Ca -0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.86 1gm0 h ILE 52 Cb 0.21 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 1gm0 h ILE 52 CO -0.00 0.00 0.56 -0.03 0.00 0.00 0.00 178.15 178.68 1gm0 h MET 53 N -0.41 1.15 -0.23 2.37 4.05 -0.85 0.23 114.93 121.24 1gm0 h MET 53 Ca 0.08 -0.08 -0.06 0.00 -0.28 0.00 0.00 59.70 59.36 1gm0 h MET 53 Cb 0.53 -0.26 -0.01 0.00 -0.80 0.00 0.00 31.60 31.07 1gm0 h MET 53 CO -0.29 0.77 -0.11 0.00 0.23 0.00 0.00 176.91 177.51 1gm0 h LEU 55 N 0.19 0.00 0.00 0.00 3.38 0.21 -2.18 115.31 116.91 1gm0 h LEU 55 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1gm0 h LEU 55 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1gm0 h LEU 55 CO 0.03 0.09 0.00 -1.54 0.09 0.00 0.00 178.44 177.12 1gm0 n SER 56 N -3.45 0.00 -0.22 -0.43 3.41 0.70 -1.17 113.62 112.47 1gm0 n SER 56 Ca -0.01 -0.89 0.01 0.00 -0.26 0.00 0.00 58.87 57.72 1gm0 n SER 56 Cb 0.24 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.20 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 -0.68 0.17 -1.30 6.66 5.66 -0.82 -4.63 114.28 119.33 1gm0 n THR 57 Ca 0.05 -0.19 -0.08 0.00 -3.05 0.00 0.00 64.05 60.78 1gm0 n THR 57 Cb 0.02 0.69 0.21 0.00 -1.55 0.00 0.00 70.33 69.70 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 -0.11 2.27 0.09 1.09 4.76 -0.32 -4.69 118.16 121.26 1gm0 n LYS 58 Ca 0.01 -3.09 0.04 0.00 -2.87 0.00 0.00 58.31 52.40 1gm0 n LYS 58 Cb 0.58 -1.95 0.47 0.00 -1.84 0.00 0.00 35.03 32.29 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 1.28 0.30 -1.91 -0.35 3.38 -1.88 -0.81 115.31 115.32 1gm0 h LEU 59 Ca 0.30 -0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.42 1gm0 h LEU 59 Cb 2.00 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.64 1gm0 h LEU 59 CO 0.58 0.27 0.44 -0.55 0.09 0.00 0.00 178.44 179.27 1gm0 h ASN 60 N 0.34 0.08 1.29 -0.43 -1.07 -1.84 -0.18 115.58 113.79 1gm0 h ASN 60 Ca 0.09 0.01 -0.12 0.00 0.07 0.00 0.00 56.30 56.34 1gm0 h ASN 60 Cb 0.06 -0.01 -0.02 0.00 -2.07 0.00 0.00 38.32 36.28 1gm0 h ASN 60 CO -0.01 0.04 -0.73 0.24 0.07 0.00 0.00 177.43 177.04 1gm0 h MET 61 N 0.09 0.00 0.00 4.14 2.86 -1.52 -3.38 114.93 117.12 1gm0 h MET 61 Ca 0.30 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 1gm0 h MET 61 Cb 1.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.73 1gm0 h MET 61 CO -0.03 0.47 -0.12 -0.07 1.06 0.00 0.00 176.91 178.22 1gm0 h LEU 62 N 0.00 0.00 -8.03 1.22 3.38 -1.01 -3.41 115.31 107.46 1gm0 h LEU 62 Ca -0.04 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.22 1gm0 h LEU 62 Cb 1.44 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.90 1gm0 h LEU 62 CO 0.06 0.45 -0.48 -0.62 0.09 0.00 0.00 178.44 177.94 1gm0 s ASP 63 N -5.07 5.55 0.31 -0.43 2.15 -0.66 -3.86 116.67 114.66 1gm0 s ASP 63 Ca -0.03 -1.65 0.13 0.00 0.43 0.00 0.00 52.55 51.43 1gm0 s ASP 63 Cb 0.00 -1.95 0.47 0.00 -0.30 0.00 0.00 42.92 41.14 1gm0 s ASP 63 CO 0.05 -0.55 1.65 1.55 -0.17 0.00 0.00 175.17 177.70 1gm0 h PRO 64 N 8.33 0.00 0.00 4.34 0.13 -1.84 -2.68 132.00 140.28 1gm0 h PRO 64 Ca -0.21 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1gm0 h PRO 64 Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 1gm0 h PRO 64 CO 0.76 0.53 -0.02 0.93 -0.23 0.00 0.00 178.00 179.96 1gm0 h GLU 65 N 0.00 0.00 0.00 0.86 5.08 -1.93 -3.47 114.58 115.12 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 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1gm0 h GLU 65 CO 0.07 0.02 0.00 0.41 -1.00 0.00 0.00 179.01 178.51 1gm0 n GLY 66 N -0.72 0.59 0.26 -3.84 0.00 -1.01 -4.97 105.19 95.49 1gm0 n GLY 66 Ca -0.02 -0.76 -0.04 0.00 0.00 0.00 0.00 46.02 45.20 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 0.58 -1.66 1.61 2.35 -1.91 -3.40 115.58 113.15 1gm0 h ASN 67 Ca 0.00 -0.17 -0.64 0.00 -0.55 0.00 0.00 56.30 54.94 1gm0 h ASN 67 Cb 0.07 -0.16 -0.13 0.00 0.05 0.00 0.00 38.32 38.15 1gm0 h ASN 67 CO 0.00 0.75 1.22 -0.22 -1.65 0.00 0.00 177.43 177.53 1gm0 s LEU 68 N -8.87 4.16 0.57 1.61 2.96 -1.26 -4.41 118.68 113.44 1gm0 s LEU 68 Ca -0.08 -1.71 -0.06 0.00 -0.22 0.00 0.00 54.13 52.07 1gm0 s LEU 68 Cb 0.14 -2.50 -0.00 0.00 0.50 0.00 0.00 46.19 44.33 1gm0 s LEU 68 CO 0.80 -1.32 0.88 -1.00 -1.32 0.00 0.00 176.35 174.38 1gm0 s HIS 69 N 4.00 3.31 -0.05 5.38 3.76 -1.25 -4.73 115.29 125.71 1gm0 s HIS 69 Ca 0.40 0.67 -0.30 0.00 -0.15 0.00 0.00 55.06 55.69 1gm0 s HIS 69 Cb -0.02 -2.65 -0.04 0.00 1.11 0.00 0.00 32.58 30.98 1gm0 s HIS 69 CO -0.10 -0.71 1.34 -1.58 -0.85 0.00 0.00 174.74 172.84 1gm0 s HIS 70 N -2.94 2.89 -1.33 1.40 2.46 -1.26 -3.18 115.29 113.33 1gm0 s HIS 70 Ca 0.53 0.92 0.00 0.00 0.47 0.00 0.00 55.06 56.98 1gm0 s HIS 70 Cb -0.10 -3.58 0.00 0.00 -0.13 0.00 0.00 32.58 28.76 1gm0 s HIS 70 CO 0.45 -2.08 0.00 0.41 -2.47 0.00 0.00 174.74 171.05 1gm0 n GLY 71 N 3.59 1.23 2.61 1.59 0.00 0.25 -4.86 105.19 109.60 1gm0 n GLY 71 Ca 0.13 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.00 -1.68 -0.44 1.61 5.15 -1.19 -4.99 115.26 112.71 1gm0 n ASN 72 Ca -0.13 -3.52 0.05 0.00 -0.60 0.00 0.00 54.58 50.38 1gm0 n ASN 72 Cb 0.56 1.36 0.14 0.00 -0.53 0.00 0.00 39.78 41.31 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 0.44 2.47 -0.10 5.20 0.00 -1.25 -3.80 120.51 123.47 1gm0 n ALA 73 Ca 0.10 -0.42 -0.12 0.00 0.00 0.00 0.00 53.44 53.00 1gm0 n ALA 73 Cb 0.68 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.13 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 1.43 0.89 -0.24 0.00 2.86 -1.93 0.12 114.93 118.06 1gm0 h MET 74 Ca 0.00 -0.47 -0.13 0.00 -2.06 0.00 0.00 59.70 57.04 1gm0 h MET 74 Cb 0.33 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 1gm0 h MET 74 CO 0.00 1.12 -0.41 0.93 1.06 0.00 0.00 176.91 179.61 1gm0 h GLU 75 N 0.73 0.56 -0.26 1.72 5.08 -1.87 -0.11 114.58 120.43 1gm0 h GLU 75 Ca 0.06 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 1gm0 h GLU 75 Cb 0.98 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1gm0 h GLU 75 CO 0.09 0.87 0.14 0.35 -1.00 0.00 0.00 179.01 179.46 1gm0 h PHE 76 N 0.46 0.36 -0.67 4.33 3.57 -1.66 -3.10 116.94 120.24 1gm0 h PHE 76 Ca 0.04 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.55 1gm0 h PHE 76 Cb 0.91 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.49 1gm0 h PHE 76 CO 0.04 0.32 0.42 0.00 -2.23 0.00 0.00 178.31 176.86 1gm0 h ALA 77 N 1.01 0.87 -0.48 2.41 0.00 -0.40 -2.85 119.26 119.81 1gm0 h ALA 77 Ca 0.09 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.06 1gm0 h ALA 77 Cb 0.08 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.58 1gm0 h ALA 77 CO -0.01 0.20 0.08 0.87 0.00 0.00 0.00 179.25 180.39 1gm0 h LYS 78 N 0.84 0.21 -0.37 0.00 1.57 0.17 0.20 116.57 119.19 1gm0 h LYS 78 Ca 0.26 -0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.14 1gm0 h LYS 78 Cb -0.01 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1gm0 h LYS 78 CO -0.09 0.14 0.36 0.87 -0.57 0.00 0.00 179.45 180.15 1gm0 h LYS 79 N 0.21 0.00 -0.38 3.15 1.57 -1.44 -0.75 116.57 118.93 1gm0 h LYS 79 Ca 0.24 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.99 1gm0 h LYS 79 Cb 0.32 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1gm0 h LYS 79 CO -0.32 0.00 0.02 0.72 -0.57 0.00 0.00 179.45 179.30 1gm0 n HIS 80 N -3.89 1.36 -0.17 -1.35 8.25 0.01 -4.94 115.22 114.50 1gm0 n HIS 80 Ca 0.06 -0.93 0.00 0.00 -0.26 0.00 0.00 57.72 56.59 1gm0 n HIS 80 Cb 0.53 -0.41 0.00 0.00 1.12 0.00 0.00 29.99 31.23 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 -0.27 0.86 3.35 -1.41 0.00 -0.29 -4.66 105.19 102.78 1gm0 n GLY 81 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.52 3.41 1.06 4.61 0.00 -0.90 -4.97 121.76 122.45 1gm0 s ALA 82 Ca 0.00 -2.04 -0.12 0.00 0.00 0.00 0.00 51.96 49.80 1gm0 s ALA 82 Cb 0.00 -2.83 0.17 0.00 0.00 0.00 0.00 23.12 20.46 1gm0 s ALA 82 CO 0.00 -1.63 0.80 -0.40 0.00 0.00 0.00 175.76 174.53 1gm0 n ASP 83 N 5.06 -0.63 -0.18 0.00 5.68 -1.26 -1.43 116.55 123.79 1gm0 n ASP 83 Ca -0.11 -1.16 -0.05 0.00 -0.50 0.00 0.00 54.79 52.96 1gm0 n ASP 83 Cb 0.44 -0.66 0.05 0.00 -1.14 0.00 0.00 41.12 39.81 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 0.58 -0.38 0.11 4.39 -1.98 0.84 114.58 118.14 1gm0 h GLU 84 Ca -0.27 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.30 1gm0 h GLU 84 Cb 0.79 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 1gm0 h GLU 84 CO 0.19 0.39 -0.10 1.15 -1.16 0.00 0.00 179.01 179.48 1gm0 h THR 85 N 0.60 1.28 -0.94 1.13 2.02 -1.97 0.79 112.91 115.81 1gm0 h THR 85 Ca 0.22 -1.18 0.03 0.00 0.77 0.00 0.00 66.41 66.25 1gm0 h THR 85 Cb 0.06 1.26 -0.05 0.00 -1.74 0.00 0.00 68.15 67.67 1gm0 h THR 85 CO -0.11 0.39 0.62 0.24 0.37 0.00 0.00 175.52 177.03 1gm0 h MET 86 N 0.54 1.17 0.22 6.66 2.86 -1.70 0.72 114.93 125.40 1gm0 h MET 86 Ca 0.10 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1gm0 h MET 86 Cb 0.61 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1gm0 h MET 86 CO 0.04 0.77 -0.10 0.00 1.06 0.00 0.00 176.91 178.68 1gm0 h ALA 87 N 1.44 -0.29 -0.77 6.32 0.00 -0.75 -3.10 119.26 122.11 1gm0 h ALA 87 Ca 0.37 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.24 1gm0 h ALA 87 Cb -0.02 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1gm0 h ALA 87 CO -0.11 -0.56 0.50 0.37 0.00 0.00 0.00 179.25 179.46 1gm0 h GLN 88 N -0.50 0.66 -0.05 0.00 5.75 -0.27 0.56 115.11 121.25 1gm0 h GLN 88 Ca -0.03 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.45 1gm0 h GLN 88 Cb 0.38 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.74 1gm0 h GLN 88 CO 0.05 0.44 -0.30 1.96 -2.65 0.00 0.00 178.83 178.33 1gm0 h GLN 89 N 0.68 -0.32 0.00 1.69 1.08 -0.90 -1.95 115.11 115.39 1gm0 h GLN 89 Ca 0.36 0.02 -0.05 0.00 -1.45 0.00 0.00 58.65 57.53 1gm0 h GLN 89 Cb 0.48 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.97 1gm0 h GLN 89 CO -0.13 -0.21 -0.25 -0.07 -0.95 0.00 0.00 178.83 177.22 1gm0 h LEU 90 N -0.33 0.00 -0.17 1.46 3.38 -0.90 -2.44 115.31 116.31 1gm0 h LEU 90 Ca 0.01 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.76 1gm0 h LEU 90 Cb 0.38 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.14 1gm0 h LEU 90 CO -0.23 0.25 -0.89 0.40 0.09 0.00 0.00 178.44 178.06 1gm0 h ILE 91 N 0.00 1.33 -0.22 1.22 2.04 -0.99 0.14 117.51 121.02 1gm0 h ILE 91 Ca -0.00 -2.20 -0.02 0.00 1.00 0.00 0.00 64.86 63.64 1gm0 h ILE 91 Cb 0.44 2.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.74 1gm0 h ILE 91 CO 0.03 0.68 0.06 -0.78 0.00 0.00 0.00 178.15 178.14 1gm0 h ASP 92 N 0.37 0.28 -0.12 1.72 1.82 -0.91 -1.43 116.42 118.14 1gm0 h ASP 92 Ca -0.08 -0.03 -0.05 0.00 -0.39 0.00 0.00 57.03 56.48 1gm0 h ASP 92 Cb 1.51 -0.07 -0.00 0.00 0.68 0.00 0.00 39.33 41.45 1gm0 h ASP 92 CO 0.17 0.29 -0.14 0.40 -1.61 0.00 0.00 179.24 178.35 1gm0 h ILE 93 N 0.31 1.36 0.01 2.25 2.04 -1.16 -2.01 117.51 120.31 1gm0 h ILE 93 Ca 0.08 -1.32 0.01 0.00 1.00 0.00 0.00 64.86 64.63 1gm0 h ILE 93 Cb 0.12 1.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 1gm0 h ILE 93 CO -0.00 0.38 -0.06 0.58 0.00 0.00 0.00 178.15 179.05 1gm0 h VAL 94 N -0.09 0.85 -0.07 1.67 2.07 0.27 0.47 116.25 121.41 1gm0 h VAL 94 Ca 0.02 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.42 1gm0 h VAL 94 Cb 0.67 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1gm0 h VAL 94 CO 0.03 0.00 -0.49 0.45 0.02 0.00 0.00 177.57 177.58 1gm0 h HIS 95 N -0.11 0.23 0.00 1.57 3.86 -1.47 -0.44 115.15 118.79 1gm0 h HIS 95 Ca 0.02 -0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.14 1gm0 h HIS 95 Cb 0.13 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 28.55 1gm0 h HIS 95 CO -0.13 0.65 -0.09 0.78 0.86 0.00 0.00 177.93 180.00 1gm0 h GLY 96 N 1.36 0.00 0.68 2.45 0.00 -0.45 -2.15 103.07 104.95 1gm0 h GLY 96 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.06 1gm0 h GLY 96 CO 0.07 0.00 -1.85 0.00 0.00 0.00 0.00 176.54 174.76 1gm0 h GLU 98 N 0.00 -0.01 -0.19 0.00 5.08 -0.99 -2.48 114.58 115.99 1gm0 h GLU 98 Ca -0.32 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1gm0 h GLU 98 Cb 1.96 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.20 1gm0 h GLU 98 CO 0.06 -0.01 0.11 0.87 -1.00 0.00 0.00 179.01 179.04 1gm0 h LYS 99 N -0.02 0.25 0.00 2.33 1.57 -1.25 0.26 116.57 119.71 1gm0 h LYS 99 Ca 0.10 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1gm0 h LYS 99 Cb 0.17 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1gm0 h LYS 99 CO -0.22 0.18 0.00 0.66 -0.57 0.00 0.00 179.45 179.49 1gm0 h SER 100 N 0.25 0.00 -3.62 0.86 4.64 -1.12 -3.44 113.55 111.12 1gm0 h SER 100 Ca 0.07 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.70 1gm0 h SER 100 Cb -0.00 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 61.75 1gm0 h SER 100 CO -0.01 0.00 -0.62 -0.89 -0.87 0.00 0.00 176.83 174.44 1gm0 s THR 101 N -3.22 3.23 0.37 2.95 2.01 0.08 -5.06 115.64 115.99 1gm0 s THR 101 Ca 0.08 -1.67 -0.27 0.00 0.31 0.00 0.00 61.69 60.13 1gm0 s THR 101 Cb 0.10 -3.03 -0.10 0.00 0.01 0.00 0.00 72.50 69.49 1gm0 s THR 101 CO 0.54 -0.39 1.31 -2.16 -0.69 0.00 0.00 174.62 173.22 1gm0 s PRO 102 N 1.22 4.18 -0.84 4.92 0.04 -1.26 -4.79 135.00 138.45 1gm0 s PRO 102 Ca 0.02 2.19 -0.23 0.00 0.04 0.00 0.00 61.00 63.02 1gm0 s PRO 102 Cb -0.21 -2.92 -0.20 0.00 0.04 0.00 0.00 34.50 31.20 1gm0 s PRO 102 CO -0.02 -0.33 2.43 0.00 0.04 0.00 0.00 177.00 179.11 1gm0 n ALA 103 N 0.48 0.64 -1.79 8.56 0.00 -1.26 -4.88 120.51 122.26 1gm0 n ALA 103 Ca 0.02 -0.81 -0.33 0.00 0.00 0.00 0.00 53.44 52.31 1gm0 n ALA 103 Cb 0.43 -2.73 -0.04 0.00 0.00 0.00 0.00 19.45 17.11 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 7.59 6.48 0.40 0.00 3.84 -1.26 -4.93 114.94 127.06 1gm0 s ASN 104 Ca 1.18 1.79 0.30 0.00 0.21 0.00 0.00 52.86 56.33 1gm0 s ASN 104 Cb -0.67 -2.54 1.35 0.00 -0.55 0.00 0.00 41.25 38.84 1gm0 s ASN 104 CO 0.38 -0.68 1.40 -0.67 -2.79 0.00 0.00 177.10 174.73 1gm0 n ASP 105 N -1.12 0.18 -3.78 -4.21 2.03 -1.26 -4.32 116.55 104.07 1gm0 n ASP 105 Ca 0.08 1.22 -0.28 0.00 0.52 0.00 0.00 54.79 56.33 1gm0 n ASP 105 Cb 0.53 -0.60 -0.16 0.00 -0.72 0.00 0.00 41.12 40.17 1gm0 n ASP 105 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1gm0 s ASP 106 N -4.27 3.00 0.49 1.67 -1.08 -1.26 -5.01 116.67 110.21 1gm0 s ASP 106 Ca -0.06 -0.84 0.16 0.00 -0.52 0.00 0.00 52.55 51.29 1gm0 s ASP 106 Cb 0.27 -0.70 1.18 0.00 -1.46 0.00 0.00 42.92 42.21 1gm0 s ASP 106 CO 0.74 -0.28 2.06 0.50 0.52 0.00 0.00 175.17 178.70 1gm0 h LYS 107 N 8.19 0.18 -0.02 4.34 3.11 -1.99 0.10 116.57 130.49 1gm0 h LYS 107 Ca -0.17 -0.01 0.03 0.00 -2.81 0.00 0.00 60.65 57.69 1gm0 h LYS 107 Cb 1.11 -0.04 -0.06 0.00 -1.00 0.00 0.00 32.23 32.25 1gm0 h LYS 107 CO 0.35 0.12 -0.38 0.00 -2.81 0.00 0.00 179.45 176.72 1gm0 h ILE 109 N -0.53 1.28 -0.09 0.00 2.04 -1.39 -2.29 117.51 116.53 1gm0 h ILE 109 Ca 0.06 -1.22 0.04 0.00 1.00 0.00 0.00 64.86 64.74 1gm0 h ILE 109 Cb 0.62 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.91 1gm0 h ILE 109 CO -0.31 0.41 -0.16 -0.25 0.00 0.00 0.00 178.15 177.83 1gm0 h TRP 110 N 0.57 -0.42 -0.81 1.37 7.01 -0.75 -1.08 115.95 121.84 1gm0 h TRP 110 Ca 0.10 0.02 0.11 0.00 2.11 0.00 0.00 58.89 61.22 1gm0 h TRP 110 Cb 0.65 0.20 -0.08 0.00 -2.10 0.00 0.00 29.16 27.83 1gm0 h TRP 110 CO 0.05 -0.24 0.44 1.15 -2.79 0.00 0.00 178.44 177.06 1gm0 h THR 111 N -0.23 0.85 -0.34 2.65 2.02 -0.72 0.22 112.91 117.38 1gm0 h THR 111 Ca 0.08 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1gm0 h THR 111 Cb 0.34 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 1gm0 h THR 111 CO -0.22 0.13 0.21 0.25 0.37 0.00 0.00 175.52 176.26 1gm0 h LEU 112 N 0.72 0.39 -0.46 2.58 5.85 -1.06 -1.67 115.31 121.67 1gm0 h LEU 112 Ca 0.41 -0.03 0.09 0.00 0.84 0.00 0.00 57.88 59.18 1gm0 h LEU 112 Cb 0.43 -0.10 -0.10 0.00 0.37 0.00 0.00 40.66 41.27 1gm0 h LEU 112 CO -0.28 0.31 -0.31 1.23 -0.34 0.00 0.00 178.44 179.06 1gm0 h GLY 113 N 0.44 -0.15 0.67 3.75 0.00 0.27 0.12 103.07 108.18 1gm0 h GLY 113 Ca 0.12 0.39 0.03 0.00 0.00 0.00 0.00 47.33 47.88 1gm0 h GLY 113 CO -0.02 -0.21 -0.05 -2.08 0.00 0.00 0.00 176.54 174.18 1gm0 h VAL 114 N -0.21 0.82 -0.05 4.60 2.07 -0.82 0.21 116.25 122.87 1gm0 h VAL 114 Ca 0.20 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.69 1gm0 h VAL 114 Cb 0.53 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1gm0 h VAL 114 CO -0.57 0.00 -0.09 0.00 0.02 0.00 0.00 177.57 176.93 1gm0 h ALA 115 N 1.12 1.77 0.00 1.67 0.00 -0.67 0.13 119.26 123.27 1gm0 h ALA 115 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1gm0 h ALA 115 Cb 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1gm0 h ALA 115 CO -0.17 0.18 -0.44 2.41 0.00 0.00 0.00 179.25 181.23 1gm0 n THR 116 N -4.39 0.30 0.20 0.00 -1.04 0.37 -2.32 114.28 107.40 1gm0 n THR 116 Ca -0.02 -0.20 -0.09 0.00 -2.04 0.00 0.00 64.05 61.70 1gm0 n THR 116 Cb 0.19 -0.17 -0.04 0.00 -1.82 0.00 0.00 70.33 68.48 1gm0 n THR 116 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1gm0 h PHE 118 N -1.09 -1.60 -0.75 0.00 3.57 -0.38 -1.27 116.94 115.41 1gm0 h PHE 118 Ca -0.06 0.09 0.10 0.00 3.53 0.00 0.00 57.97 61.63 1gm0 h PHE 118 Cb 0.43 0.77 -0.07 0.00 2.79 0.00 0.00 35.95 39.86 1gm0 h PHE 118 CO 0.01 -0.46 0.39 -0.22 -2.23 0.00 0.00 178.31 175.79 1gm0 h LYS 119 N -0.32 0.63 -0.09 1.11 3.64 -1.72 0.17 116.57 119.99 1gm0 h LYS 119 Ca 0.11 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 1gm0 h LYS 119 Cb 0.57 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1gm0 h LYS 119 CO -0.65 0.41 -0.16 0.00 -2.27 0.00 0.00 179.45 176.78 1gm0 h ALA 120 N 1.45 1.57 0.03 5.00 0.00 -1.46 -1.08 119.26 124.78 1gm0 h ALA 120 Ca 0.37 -0.20 -0.22 0.00 0.00 0.00 0.00 54.91 54.87 1gm0 h ALA 120 Cb 0.40 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1gm0 h ALA 120 CO -0.28 0.31 -1.01 0.93 0.00 0.00 0.00 179.25 179.20 1gm0 h GLU 121 N 0.13 0.10 -0.51 0.00 4.39 -0.47 -2.82 114.58 115.40 1gm0 h GLU 121 Ca 0.03 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 1gm0 h GLU 121 Cb 0.37 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.04 1gm0 h GLU 121 CO 0.02 1.02 0.27 0.82 -1.16 0.00 0.00 179.01 179.98 1gm0 h ILE 122 N 0.04 1.16 0.00 3.13 2.04 -0.20 0.10 117.51 123.78 1gm0 h ILE 122 Ca -0.04 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.40 1gm0 h ILE 122 Cb 1.73 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 1gm0 h ILE 122 CO 0.14 0.18 0.00 -0.74 0.00 0.00 0.00 178.15 177.73 1gm0 h HIS 123 N 0.71 0.00 0.00 1.37 2.76 -0.99 -0.26 115.15 118.74 1gm0 h HIS 123 Ca 0.18 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.35 1gm0 h HIS 123 Cb 0.03 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.99 1gm0 h HIS 123 CO 0.00 0.00 -0.75 0.36 -1.30 0.00 0.00 177.93 176.25 1gm0 n LYS 124 N -2.41 0.29 -1.71 5.26 2.85 0.31 -4.93 118.16 117.83 1gm0 n LYS 124 Ca -0.01 0.06 -0.30 0.00 -1.05 0.00 0.00 58.31 57.01 1gm0 n LYS 124 Cb 0.11 -1.66 0.05 0.00 -0.65 0.00 0.00 35.03 32.88 1gm0 n LYS 124 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1gm0 s LEU 125 N -4.14 2.92 0.00 -5.58 1.43 -0.11 -4.99 118.68 108.21 1gm0 s LEU 125 Ca 0.05 1.35 0.25 0.00 -1.03 0.00 0.00 54.13 54.76 1gm0 s LEU 125 Cb 0.14 -4.15 0.51 0.00 0.03 0.00 0.00 46.19 42.71 1gm0 s LEU 125 CO 0.74 -1.47 1.42 -0.46 0.23 0.00 0.00 176.35 176.81 1gm0 n ASN 126 N -3.12 1.79 -4.31 2.29 0.23 -1.26 -4.94 115.26 105.93 1gm0 n ASN 126 Ca 0.07 -1.42 -0.29 0.00 -0.53 0.00 0.00 54.58 52.41 1gm0 n ASN 126 Cb 0.55 0.17 -0.06 0.00 -2.08 0.00 0.00 39.78 38.36 1gm0 n ASN 126 CO 0.00 0.00 0.00 -2.67 -0.93 0.00 0.00 177.26 173.66 1gm0 n TRP 127 N 0.10 0.92 -3.58 -2.53 4.27 -1.26 -5.14 117.44 110.22 1gm0 n TRP 127 Ca 0.13 -2.30 -0.29 0.00 -3.89 0.00 0.00 57.50 51.15 1gm0 n TRP 127 Cb 0.43 -0.26 -0.13 0.00 -1.36 0.00 0.00 31.31 29.99 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 -2.83 1.22 0.42 -1.67 0.00 -1.26 -4.94 121.76 112.70 1gm0 s ALA 128 Ca 0.03 -1.80 -0.25 0.00 0.00 0.00 0.00 51.96 49.93 1gm0 s ALA 128 Cb 0.00 -1.62 -0.10 0.00 0.00 0.00 0.00 23.12 21.41 1gm0 s ALA 128 CO 0.02 -1.92 1.26 -2.30 0.00 0.00 0.00 175.76 172.82 1gm0 n PRO 129 N 4.36 1.89 -1.71 0.00 -0.02 -1.26 -4.99 135.00 133.28 1gm0 n PRO 129 Ca 0.05 0.67 -0.35 0.00 -2.02 0.00 0.00 63.50 61.85 1gm0 n PRO 129 Cb 0.38 -2.37 0.06 0.00 -0.02 0.00 0.00 33.50 31.56 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 -0.55 4.72 0.30 2.55 0.01 -1.26 -4.81 113.70 114.65 1gm0 s SER 130 Ca 0.61 2.31 -0.00 0.00 1.31 0.00 0.00 55.95 60.18 1gm0 s SER 130 Cb -0.51 -2.59 0.46 0.00 0.21 0.00 0.00 66.02 63.60 1gm0 s SER 130 CO 0.58 -1.90 1.89 -0.03 0.41 0.00 0.00 173.24 174.18 1gm0 h MET 131 N 0.21 0.86 -0.11 12.44 4.05 -1.96 -1.38 114.93 129.04 1gm0 h MET 131 Ca -0.49 -0.13 0.00 0.00 -0.28 0.00 0.00 59.70 58.81 1gm0 h MET 131 Cb 1.29 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.93 1gm0 h MET 131 CO 0.52 0.69 0.07 -0.44 0.23 0.00 0.00 176.91 177.99 1gm0 h ASP 132 N 0.85 0.11 0.23 1.39 5.19 -1.93 0.08 116.42 122.35 1gm0 h ASP 132 Ca 0.21 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.60 1gm0 h ASP 132 Cb 0.14 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.62 1gm0 h ASP 132 CO -0.02 0.08 -0.11 0.58 -3.12 0.00 0.00 179.24 176.65 1gm0 h VAL 133 N 0.14 0.00 -0.05 -1.35 2.07 -1.64 -0.67 116.25 114.75 1gm0 h VAL 133 Ca 0.04 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.19 1gm0 h VAL 133 Cb 0.00 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1gm0 h VAL 133 CO -0.01 0.00 0.10 0.00 0.02 0.00 0.00 177.57 177.68 1gm0 h ALA 134 N -1.48 1.37 0.00 1.67 0.00 -0.95 0.73 119.26 120.60 1gm0 h ALA 134 Ca -0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1gm0 h ALA 134 Cb 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1gm0 h ALA 134 CO 0.05 -0.12 -0.29 0.28 0.00 0.00 0.00 179.25 179.17 1gm0 h VAL 135 N 0.00 0.21 -0.89 0.00 2.07 -1.13 -3.34 116.25 113.16 1gm0 h VAL 135 Ca 0.02 -1.19 0.20 0.00 0.82 0.00 0.00 66.70 66.55 1gm0 h VAL 135 Cb 0.22 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 30.35 1gm0 h VAL 135 CO -0.00 0.07 0.59 1.23 0.02 0.00 0.00 177.57 179.48 1gm0 h GLY 136 N -1.00 0.82 0.24 2.17 0.00 0.45 -1.03 103.07 104.73 1gm0 h GLY 136 Ca -0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1gm0 h GLY 136 CO -0.02 -0.00 -0.09 0.83 0.00 0.00 0.00 176.54 177.26 1gm0 h GLU 137 N 0.39 -0.24 -0.06 4.80 5.08 -1.15 -1.16 114.58 122.24 1gm0 h GLU 137 Ca 0.46 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.86 1gm0 h GLU 137 Cb 1.18 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 1gm0 h GLU 137 CO -0.17 0.01 0.06 0.97 -1.00 0.00 0.00 179.01 178.88 1gm0 h ILE 138 N -1.02 0.69 -0.20 3.13 2.10 -1.57 0.12 117.51 120.76 1gm0 h ILE 138 Ca -0.03 0.00 -0.11 0.00 1.08 0.00 0.00 64.86 65.81 1gm0 h ILE 138 Cb 0.36 0.96 -0.00 0.00 -1.09 0.00 0.00 36.82 37.05 1gm0 h ILE 138 CO 0.04 0.00 -0.29 -0.07 -1.08 0.00 0.00 178.15 176.75 1gm0 h LEU 139 N 0.00 0.61 -1.48 2.19 3.38 -1.25 -0.97 115.31 117.78 1gm0 h LEU 139 Ca 0.03 -0.52 0.22 0.00 0.09 0.00 0.00 57.88 57.71 1gm0 h LEU 139 Cb 0.14 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.65 1gm0 h LEU 139 CO -0.00 1.00 0.63 0.00 0.09 0.00 0.00 178.44 180.16 1gm0 h ALA 140 N 0.62 2.24 0.02 1.53 0.00 0.50 -3.35 119.26 120.82 1gm0 h ALA 140 Ca 0.02 0.03 -0.38 0.00 0.00 0.00 0.00 54.91 54.57 1gm0 h ALA 140 Cb 0.87 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 1gm0 h ALA 140 CO 0.07 -0.55 -2.21 0.39 0.00 0.00 0.00 179.25 176.94 1gm0 n GLU 141 N -4.53 0.64 0.00 0.00 1.02 -0.56 -0.59 120.64 116.62 1gm0 n GLU 141 Ca 0.21 0.28 0.15 0.00 -0.02 0.00 0.00 57.16 57.78 1gm0 n GLU 141 Cb 0.76 -1.58 0.68 0.00 -0.02 0.00 0.00 31.44 31.27 1gm0 n GLU 141 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59