#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 -1.58 -3.45 1.43 1.13 -1.26 -5.06 117.38 108.59 1gm0 n GLN 2 Ca 0.00 -1.79 -0.27 0.00 -1.94 0.00 0.00 57.00 53.00 1gm0 n GLN 2 Cb 0.00 -1.29 -0.09 0.00 0.11 0.00 0.00 30.24 28.96 1gm0 n GLN 2 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 1gm0 n GLU 3 N -3.77 0.93 -3.75 -1.09 2.13 -1.26 -5.00 120.64 108.84 1gm0 n GLU 3 Ca 0.15 -3.64 -0.26 0.00 0.66 0.00 0.00 57.16 54.07 1gm0 n GLU 3 Cb 0.52 -1.76 0.00 0.00 0.27 0.00 0.00 31.44 30.48 1gm0 n GLU 3 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1gm0 n VAL 4 N 2.08 -3.20 -1.71 6.31 0.31 -1.26 -4.88 118.33 115.98 1gm0 n VAL 4 Ca 0.26 -0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.62 1gm0 n VAL 4 Cb 0.46 -2.86 0.05 0.00 -0.91 0.00 0.00 33.84 30.57 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 -2.34 0.43 0.00 5.55 0.00 -1.26 -4.99 117.12 114.50 1gm0 n MET 5 Ca -0.30 -1.56 0.00 0.00 0.00 0.00 0.00 57.70 55.85 1gm0 n MET 5 Cb 0.68 -0.82 0.00 0.00 0.00 0.00 0.00 33.22 33.08 1gm0 n MET 5 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1gm0 n LYS 6 N -0.47 0.12 -0.85 3.17 5.02 -1.26 -5.06 118.16 118.83 1gm0 n LYS 6 Ca 0.05 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.00 1gm0 n LYS 6 Cb 0.69 0.00 0.10 0.00 -0.02 0.00 0.00 35.03 35.80 1gm0 n LYS 6 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1gm0 n ASN 7 N -1.86 -3.34 -3.10 4.39 6.94 -1.26 -4.62 115.26 112.41 1gm0 n ASN 7 Ca 0.00 0.20 -0.00 0.00 -0.02 0.00 0.00 54.58 54.75 1gm0 n ASN 7 Cb 0.00 -0.99 -0.00 0.00 -2.36 0.00 0.00 39.78 36.43 1gm0 n ASN 7 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 1gm0 n LEU 8 N 0.37 -4.36 0.13 -4.53 -0.00 -1.26 -4.95 117.00 102.41 1gm0 n LEU 8 Ca 0.03 0.76 0.12 0.00 -0.00 0.00 0.00 56.01 56.92 1gm0 n LEU 8 Cb 0.57 -1.73 0.08 0.00 -0.00 0.00 0.00 43.42 42.34 1gm0 n LEU 8 CO 0.51 -2.19 0.32 0.28 -0.00 0.00 0.00 177.39 176.31 1gm0 h SER 9 N 4.18 0.00 -1.57 1.96 0.02 -1.94 -3.44 113.55 112.75 1gm0 h SER 9 Ca -0.03 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.84 1gm0 h SER 9 Cb 0.56 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.14 1gm0 h SER 9 CO 0.01 0.01 -0.01 0.18 -1.14 0.00 0.00 176.83 175.88 1gm0 n LEU 10 N -2.73 0.00 -2.79 5.07 4.77 -1.26 -5.04 117.00 115.02 1gm0 n LEU 10 Ca 0.02 -0.17 -0.17 0.00 -0.03 0.00 0.00 56.01 55.65 1gm0 n LEU 10 Cb 0.53 -0.17 -0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1gm0 n LEU 10 CO 0.38 -1.47 -0.05 -3.20 -1.33 0.00 0.00 177.39 171.72 1gm0 n ASN 11 N -3.40 2.38 -0.19 -1.43 5.15 -1.26 -4.95 115.26 111.57 1gm0 n ASN 11 Ca 0.02 -3.13 -0.05 0.00 -0.60 0.00 0.00 54.58 50.82 1gm0 n ASN 11 Cb 0.10 -0.54 0.12 0.00 -0.53 0.00 0.00 39.78 38.93 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 2.91 1.02 -0.96 1.20 -1.00 -1.92 -3.07 116.94 115.12 1gm0 h PHE 12 Ca 0.07 -0.11 0.05 0.00 2.81 0.00 0.00 57.97 60.79 1gm0 h PHE 12 Cb 0.98 -0.29 -0.06 0.00 3.61 0.00 0.00 35.95 40.19 1gm0 h PHE 12 CO 0.60 0.84 0.63 0.78 -1.61 0.00 0.00 178.31 179.55 1gm0 h GLY 13 N 1.03 1.41 0.88 -1.45 0.00 -1.94 0.25 103.07 103.24 1gm0 h GLY 13 Ca 0.20 -0.46 -0.08 0.00 0.00 0.00 0.00 47.33 46.98 1gm0 h GLY 13 CO 0.00 0.37 -0.15 0.50 0.00 0.00 0.00 176.54 177.26 1gm0 h LYS 14 N 1.16 0.55 -0.67 4.80 1.79 -1.89 0.13 116.57 122.45 1gm0 h LYS 14 Ca 0.40 -0.25 -0.05 0.00 -2.18 0.00 0.00 60.65 58.56 1gm0 h LYS 14 Cb 0.09 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.70 1gm0 h LYS 14 CO -0.14 0.82 0.23 0.00 -1.08 0.00 0.00 179.45 179.28 1gm0 h ALA 15 N 0.72 1.13 -0.49 3.86 0.00 -1.31 -2.43 119.26 120.74 1gm0 h ALA 15 Ca 0.05 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1gm0 h ALA 15 Cb 0.67 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1gm0 h ALA 15 CO 0.04 0.61 0.05 -0.07 0.00 0.00 0.00 179.25 179.88 1gm0 h LEU 16 N 0.99 0.74 -2.31 0.00 3.38 -0.42 -0.05 115.31 117.64 1gm0 h LEU 16 Ca 0.22 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1gm0 h LEU 16 Cb 0.25 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1gm0 h LEU 16 CO -0.01 0.78 -0.02 -0.78 0.09 0.00 0.00 178.44 178.49 1gm0 h ASP 17 N 0.74 0.00 0.12 -0.43 1.82 -0.26 -0.53 116.42 117.88 1gm0 h ASP 17 Ca 0.15 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 56.49 1gm0 h ASP 17 Cb 0.38 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.38 1gm0 h ASP 17 CO 0.01 0.02 -1.61 -0.33 -1.61 0.00 0.00 179.24 175.73 1gm0 h GLU 18 N 0.00 0.25 0.00 0.28 5.08 -1.14 -3.38 114.58 115.66 1gm0 h GLU 18 Ca -0.00 -0.42 -0.06 0.00 -1.00 0.00 0.00 59.36 57.88 1gm0 h GLU 18 Cb 0.06 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1gm0 h GLU 18 CO 0.00 1.20 -0.30 0.00 -1.00 0.00 0.00 179.01 178.91 1gm0 h LYS 20 N 0.00 0.00 0.04 0.00 -0.00 -1.35 -3.26 116.57 112.00 1gm0 h LYS 20 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.65 1gm0 h LYS 20 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.80 1gm0 h LYS 20 CO 0.04 0.54 -0.02 0.87 -0.00 0.00 0.00 179.45 180.88 1gm0 h LYS 21 N 0.00 -0.05 -0.96 0.07 1.57 -1.05 -0.77 116.57 115.38 1gm0 h LYS 21 Ca -0.01 0.00 0.24 0.00 -1.87 0.00 0.00 60.65 59.02 1gm0 h LYS 21 Cb 1.04 0.01 -0.13 0.00 0.08 0.00 0.00 32.23 33.24 1gm0 h LYS 21 CO 0.07 0.38 0.51 0.93 -0.57 0.00 0.00 179.45 180.78 1gm0 h GLU 22 N -0.50 0.47 0.00 3.15 4.39 -1.51 -1.00 114.58 119.58 1gm0 h GLU 22 Ca -0.01 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1gm0 h GLU 22 Cb 0.46 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1gm0 h GLU 22 CO 0.01 0.31 -0.88 -1.33 -1.16 0.00 0.00 179.01 175.96 1gm0 n MET 23 N -4.97 0.98 -3.48 2.33 0.00 -1.24 -4.99 117.12 105.75 1gm0 n MET 23 Ca 0.26 -0.00 -0.25 0.00 0.00 0.00 0.00 57.70 57.71 1gm0 n MET 23 Cb 0.74 -1.36 0.01 0.00 0.00 0.00 0.00 33.22 32.61 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 -1.44 -2.86 -1.41 2.03 -1.04 -0.38 -5.03 114.28 104.14 1gm0 n THR 24 Ca 0.03 0.01 -0.30 0.00 -2.04 0.00 0.00 64.05 61.76 1gm0 n THR 24 Cb 0.29 -2.57 0.21 0.00 -1.82 0.00 0.00 70.33 66.43 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 -3.88 1.53 0.63 -4.42 1.43 -0.35 -5.03 118.68 108.59 1gm0 s LEU 25 Ca 0.09 0.58 -0.14 0.00 -1.03 0.00 0.00 54.13 53.63 1gm0 s LEU 25 Cb -0.01 -2.51 -0.02 0.00 0.03 0.00 0.00 46.19 43.69 1gm0 s LEU 25 CO 0.76 -3.45 1.07 0.42 0.23 0.00 0.00 176.35 175.38 1gm0 s THR 26 N -3.32 3.73 0.41 5.49 -4.23 -1.26 -4.88 115.64 111.59 1gm0 s THR 26 Ca 0.71 0.76 0.23 0.00 -1.18 0.00 0.00 61.69 62.21 1gm0 s THR 26 Cb -0.09 -3.32 0.25 0.00 1.34 0.00 0.00 72.50 70.69 1gm0 s THR 26 CO 0.55 -0.54 2.03 -0.78 -0.54 0.00 0.00 174.62 175.33 1gm0 h ASP 27 N 0.10 0.00 -0.14 3.99 1.82 -1.97 -3.06 116.42 117.16 1gm0 h ASP 27 Ca -0.46 0.00 0.04 0.00 -0.39 0.00 0.00 57.03 56.22 1gm0 h ASP 27 Cb 1.22 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.23 1gm0 h ASP 27 CO 0.56 0.16 0.21 0.00 -1.61 0.00 0.00 179.24 178.56 1gm0 h ALA 28 N 1.84 1.64 -0.04 -0.78 0.00 -2.02 -1.82 119.26 118.08 1gm0 h ALA 28 Ca -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1gm0 h ALA 28 Cb 0.36 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1gm0 h ALA 28 CO 0.02 -0.28 0.30 -0.84 0.00 0.00 0.00 179.25 178.45 1gm0 h ILE 29 N 0.00 0.04 -0.67 0.00 -0.00 -1.94 0.38 117.51 115.34 1gm0 h ILE 29 Ca 0.07 0.00 0.09 0.00 -0.00 0.00 0.00 64.86 65.01 1gm0 h ILE 29 Cb 0.49 0.70 -0.04 0.00 -0.00 0.00 0.00 36.82 37.97 1gm0 h ILE 29 CO -0.00 0.00 0.44 -1.13 -0.00 0.00 0.00 178.15 177.46 1gm0 h ASN 30 N 0.00 0.51 0.00 2.16 -0.73 -1.60 -3.07 115.58 112.85 1gm0 h ASN 30 Ca 0.02 0.01 -0.12 0.00 1.87 0.00 0.00 56.30 58.08 1gm0 h ASN 30 Cb 0.63 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 39.10 1gm0 h ASN 30 CO -0.00 0.31 -1.43 -0.62 -0.37 0.00 0.00 177.43 175.33 1gm0 n GLU 31 N -4.48 0.18 -0.34 6.67 -0.58 -0.44 -4.61 120.64 117.05 1gm0 n GLU 31 Ca 0.11 0.05 0.11 0.00 -0.42 0.00 0.00 57.16 57.00 1gm0 n GLU 31 Cb 0.31 -1.10 0.31 0.00 -0.57 0.00 0.00 31.44 30.39 1gm0 n GLU 31 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 1gm0 h ASP 32 N -0.04 0.81 -0.03 1.62 3.58 -1.08 0.25 116.42 121.53 1gm0 h ASP 32 Ca -0.17 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.34 1gm0 h ASP 32 Cb 1.25 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 42.20 1gm0 h ASP 32 CO -0.04 0.37 0.01 0.15 -2.88 0.00 0.00 179.24 176.86 1gm0 h PHE 33 N 0.84 0.04 -0.54 0.28 3.57 -1.77 -2.88 116.94 116.48 1gm0 h PHE 33 Ca 0.52 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.96 1gm0 h PHE 33 Cb 0.71 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 1gm0 h PHE 33 CO -0.00 0.16 0.10 1.88 -2.23 0.00 0.00 178.31 178.22 1gm0 h TYR 34 N -0.09 0.87 0.00 0.41 -1.99 -1.41 -2.43 116.97 112.33 1gm0 h TYR 34 Ca 0.01 -0.09 -0.00 0.00 2.00 0.00 0.00 58.73 60.65 1gm0 h TYR 34 Cb 0.14 -0.25 -0.00 0.00 2.00 0.00 0.00 36.73 38.62 1gm0 h TYR 34 CO -0.03 0.75 -0.01 -0.91 -0.00 0.00 0.00 178.16 177.96 1gm0 h ASN 35 N 0.80 0.00 -0.21 3.88 2.35 -0.80 -2.82 115.58 118.78 1gm0 h ASN 35 Ca 0.17 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.98 1gm0 h ASN 35 Cb 0.34 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 1gm0 h ASN 35 CO 0.00 0.01 0.21 0.15 -1.65 0.00 0.00 177.43 176.15 1gm0 h PHE 36 N 0.00 0.00 0.09 1.19 3.57 -1.30 -2.09 116.94 118.40 1gm0 h PHE 36 Ca -0.00 0.00 -0.26 0.00 3.53 0.00 0.00 57.97 61.24 1gm0 h PHE 36 Cb 0.05 0.00 0.01 0.00 2.79 0.00 0.00 35.95 38.80 1gm0 h PHE 36 CO 0.00 0.00 -1.13 -1.49 -2.23 0.00 0.00 178.31 173.46 1gm0 h TRP 37 N 0.00 0.58 -2.21 0.41 6.55 -1.71 -3.46 115.95 116.11 1gm0 h TRP 37 Ca 0.10 -0.38 -0.56 0.00 0.95 0.00 0.00 58.89 59.00 1gm0 h TRP 37 Cb 0.52 -0.04 0.02 0.00 -0.86 0.00 0.00 29.16 28.80 1gm0 h TRP 37 CO 0.00 1.25 1.21 1.63 -1.05 0.00 0.00 178.44 181.48 1gm0 n LYS 38 N -3.64 2.58 -1.26 0.49 5.02 -0.79 -4.89 118.16 115.68 1gm0 n LYS 38 Ca -0.08 0.93 -0.32 0.00 -2.02 0.00 0.00 58.31 56.82 1gm0 n LYS 38 Cb 0.95 -2.91 0.10 0.00 -0.02 0.00 0.00 35.03 33.16 1gm0 n LYS 38 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1gm0 s GLU 39 N 4.50 2.06 0.00 1.97 8.01 -1.26 -3.28 118.70 130.70 1gm0 s GLU 39 Ca 0.91 1.39 0.00 0.00 0.01 0.00 0.00 54.97 57.28 1gm0 s GLU 39 Cb -0.51 -1.86 0.00 0.00 -4.31 0.00 0.00 34.13 27.45 1gm0 s GLU 39 CO 0.45 -1.82 0.00 0.41 0.01 0.00 0.00 175.26 174.31 1gm0 n GLY 40 N -0.52 1.15 3.77 -1.39 0.00 -1.26 -4.96 105.19 101.97 1gm0 n GLY 40 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1gm0 n GLY 40 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1gm0 s TYR 41 N -1.64 2.93 -0.32 1.61 6.14 -1.21 -5.04 117.35 119.82 1gm0 s TYR 41 Ca 0.00 1.47 0.03 0.00 0.64 0.00 0.00 57.07 59.21 1gm0 s TYR 41 Cb 0.00 -3.57 0.09 0.00 0.42 0.00 0.00 41.96 38.90 1gm0 s TYR 41 CO 0.00 -1.78 0.02 -2.00 0.64 0.00 0.00 175.55 172.43 1gm0 s GLU 42 N -2.21 1.56 -0.52 4.97 2.12 -1.26 -5.01 118.70 118.35 1gm0 s GLU 42 Ca 0.56 -1.68 -0.18 0.00 0.36 0.00 0.00 54.97 54.03 1gm0 s GLU 42 Cb -0.35 -3.03 0.08 0.00 0.26 0.00 0.00 34.13 31.08 1gm0 s GLU 42 CO 0.45 -0.86 0.59 0.42 -0.54 0.00 0.00 175.26 175.32 1gm0 s ILE 43 N 1.01 4.96 0.00 -3.70 1.09 -1.26 -4.87 121.20 118.44 1gm0 s ILE 43 Ca 0.07 -0.81 0.00 0.00 -1.10 0.00 0.00 60.65 58.81 1gm0 s ILE 43 Cb -0.19 -4.31 0.00 0.00 -1.06 0.00 0.00 42.46 36.90 1gm0 s ILE 43 CO -0.09 -0.84 0.89 2.29 -0.10 0.00 0.00 174.94 177.10 1gm0 n LYS 44 N 5.94 2.32 -1.53 2.79 2.85 -1.26 -5.05 118.16 124.22 1gm0 n LYS 44 Ca -0.09 -1.30 -0.31 0.00 -1.05 0.00 0.00 58.31 55.56 1gm0 n LYS 44 Cb 0.44 -0.94 0.06 0.00 -0.65 0.00 0.00 35.03 33.93 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 -0.80 5.26 0.13 -5.58 2.47 -1.26 -4.98 114.94 110.18 1gm0 s ASN 45 Ca 0.00 1.65 -0.10 0.00 0.42 0.00 0.00 52.86 54.83 1gm0 s ASN 45 Cb 0.00 -2.50 -0.07 0.00 -1.45 0.00 0.00 41.25 37.23 1gm0 s ASN 45 CO 0.00 -1.53 1.39 0.03 -3.72 0.00 0.00 177.10 173.28 1gm0 h ARG 46 N -0.77 0.80 0.00 0.43 3.08 -1.97 -3.23 114.38 112.72 1gm0 h ARG 46 Ca -0.44 -0.55 0.00 0.00 0.07 0.00 0.00 59.98 59.07 1gm0 h ARG 46 Cb 1.21 0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.34 1gm0 h ARG 46 CO 0.56 1.17 0.00 0.93 -1.07 0.00 0.00 179.97 181.56 1gm0 h GLU 47 N 0.59 0.00 0.35 0.04 5.08 -1.93 0.70 114.58 119.40 1gm0 h GLU 47 Ca -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1gm0 h GLU 47 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1gm0 h GLU 47 CO 0.13 0.00 -0.18 1.15 -1.00 0.00 0.00 179.01 179.12 1gm0 h THR 48 N 0.00 0.64 -0.10 1.13 2.02 -1.95 0.85 112.91 115.50 1gm0 h THR 48 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1gm0 h THR 48 Cb 0.62 0.64 -0.06 0.00 -1.74 0.00 0.00 68.15 67.61 1gm0 h THR 48 CO 0.00 0.00 -0.45 1.23 0.37 0.00 0.00 175.52 176.67 1gm0 h GLY 49 N -0.48 -0.81 0.96 2.16 0.00 -1.35 -1.34 103.07 102.21 1gm0 h GLY 49 Ca -0.05 0.56 0.06 0.00 0.00 0.00 0.00 47.33 47.90 1gm0 h GLY 49 CO 0.07 -0.22 0.54 0.00 0.00 0.00 0.00 176.54 176.92 1gm0 h ALA 51 N 1.55 -0.29 -0.30 0.00 0.00 -0.44 0.50 119.26 120.28 1gm0 h ALA 51 Ca 0.35 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1gm0 h ALA 51 Cb 0.20 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1gm0 h ALA 51 CO -0.12 -0.52 -0.06 0.82 0.00 0.00 0.00 179.25 179.36 1gm0 h ILE 52 N -0.58 0.71 0.44 0.00 2.04 -0.77 0.17 117.51 119.52 1gm0 h ILE 52 Ca -0.03 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1gm0 h ILE 52 Cb 0.43 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1gm0 h ILE 52 CO 0.05 0.00 -0.34 -0.03 0.00 0.00 0.00 178.15 177.84 1gm0 h MET 53 N 0.01 -0.74 -0.41 2.37 4.05 -0.63 -2.03 114.93 117.55 1gm0 h MET 53 Ca 0.14 0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.57 1gm0 h MET 53 Cb 0.22 0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 31.16 1gm0 h MET 53 CO -0.30 -0.49 0.07 0.00 0.23 0.00 0.00 176.91 176.42 1gm0 h LEU 55 N 0.60 0.00 0.00 0.00 3.38 -0.19 -2.29 115.31 116.82 1gm0 h LEU 55 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1gm0 h LEU 55 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1gm0 h LEU 55 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.99 1gm0 n SER 56 N -2.91 0.00 -1.05 -0.43 3.41 -0.57 -1.36 113.62 110.71 1gm0 n SER 56 Ca -0.01 0.40 -0.03 0.00 -0.26 0.00 0.00 58.87 58.97 1gm0 n SER 56 Cb 0.17 -0.44 0.15 0.00 -0.26 0.00 0.00 64.21 63.82 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 -1.44 2.25 -1.43 6.66 5.66 -0.86 -4.64 114.28 120.47 1gm0 n THR 57 Ca 0.03 -3.48 0.02 0.00 -3.05 0.00 0.00 64.05 57.57 1gm0 n THR 57 Cb 0.11 -0.46 0.03 0.00 -1.55 0.00 0.00 70.33 68.46 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 -0.96 0.51 -0.13 1.09 4.76 -0.46 -4.85 118.16 118.11 1gm0 n LYS 58 Ca 0.26 -1.26 0.12 0.00 -2.87 0.00 0.00 58.31 54.56 1gm0 n LYS 58 Cb 0.78 -0.74 0.47 0.00 -1.84 0.00 0.00 35.03 33.69 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 0.00 0.45 -1.31 -0.35 3.38 -1.83 0.17 115.31 115.82 1gm0 h LEU 59 Ca 0.00 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1gm0 h LEU 59 Cb 1.16 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1gm0 h LEU 59 CO 0.00 0.26 -0.07 -0.55 0.09 0.00 0.00 178.44 178.17 1gm0 h ASN 60 N 0.49 0.36 1.88 -0.43 -1.07 -1.88 0.21 115.58 115.14 1gm0 h ASN 60 Ca 0.32 -0.07 0.00 0.00 0.07 0.00 0.00 56.30 56.62 1gm0 h ASN 60 Cb 0.57 -0.09 0.00 0.00 -2.07 0.00 0.00 38.32 36.73 1gm0 h ASN 60 CO -0.10 0.47 0.00 0.24 0.07 0.00 0.00 177.43 178.11 1gm0 h MET 61 N 0.36 0.00 0.00 4.14 2.86 -1.35 -3.31 114.93 117.63 1gm0 h MET 61 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1gm0 h MET 61 Cb 0.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1gm0 h MET 61 CO 0.02 0.00 -0.15 -0.07 1.06 0.00 0.00 176.91 177.77 1gm0 h LEU 62 N 0.00 0.00 -8.22 1.22 3.38 -0.79 -3.41 115.31 107.49 1gm0 h LEU 62 Ca 0.00 0.00 -0.73 0.00 0.09 0.00 0.00 57.88 57.24 1gm0 h LEU 62 Cb 0.94 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.44 1gm0 h LEU 62 CO 0.00 0.30 -0.38 -0.62 0.09 0.00 0.00 178.44 177.83 1gm0 s ASP 63 N -4.38 5.94 0.40 -0.43 2.15 0.68 -4.02 116.67 117.01 1gm0 s ASP 63 Ca -0.04 -1.42 0.18 0.00 0.43 0.00 0.00 52.55 51.70 1gm0 s ASP 63 Cb 0.01 -2.11 0.85 0.00 -0.30 0.00 0.00 42.92 41.37 1gm0 s ASP 63 CO 0.06 -0.61 1.84 1.55 -0.17 0.00 0.00 175.17 177.84 1gm0 h PRO 64 N 8.62 0.00 0.00 4.34 0.13 -1.82 -3.20 132.00 140.07 1gm0 h PRO 64 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1gm0 h PRO 64 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1gm0 h PRO 64 CO 0.84 0.33 0.00 0.39 -0.23 0.00 0.00 178.00 179.32 1gm0 n GLU 65 N -3.78 0.00 -1.21 0.86 1.02 -1.26 -4.89 120.64 111.38 1gm0 n GLU 65 Ca -0.01 0.17 -0.06 0.00 -0.02 0.00 0.00 57.16 57.23 1gm0 n GLU 65 Cb 0.41 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.30 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 0.51 0.86 0.25 0.62 0.00 -1.21 -4.93 105.19 101.30 1gm0 n GLY 66 Ca 0.05 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 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 0.91 -1.54 1.61 2.35 -1.90 -3.41 115.58 113.60 1gm0 h ASN 67 Ca -0.13 -0.45 -0.62 0.00 -0.55 0.00 0.00 56.30 54.56 1gm0 h ASN 67 Cb 0.43 -0.26 -0.12 0.00 0.05 0.00 0.00 38.32 38.43 1gm0 h ASN 67 CO 0.19 1.22 1.29 -0.22 -1.65 0.00 0.00 177.43 178.27 1gm0 s LEU 68 N -8.72 3.83 0.33 1.61 2.96 -1.26 -4.40 118.68 113.02 1gm0 s LEU 68 Ca -0.10 -1.48 0.00 0.00 -0.22 0.00 0.00 54.13 52.34 1gm0 s LEU 68 Cb 0.11 -2.53 -0.03 0.00 0.50 0.00 0.00 46.19 44.24 1gm0 s LEU 68 CO 0.87 -1.44 0.53 -1.00 -1.32 0.00 0.00 176.35 173.99 1gm0 s HIS 69 N 4.53 3.50 -0.14 5.38 3.76 -1.12 -4.82 115.29 126.37 1gm0 s HIS 69 Ca 0.41 0.34 -0.29 0.00 -0.15 0.00 0.00 55.06 55.37 1gm0 s HIS 69 Cb -0.02 -1.88 -0.02 0.00 1.11 0.00 0.00 32.58 31.76 1gm0 s HIS 69 CO -0.07 0.16 1.25 -1.58 -0.85 0.00 0.00 174.74 173.65 1gm0 s HIS 70 N -2.26 2.93 0.00 1.40 2.46 -1.26 -1.90 115.29 116.66 1gm0 s HIS 70 Ca 0.40 1.05 0.00 0.00 0.47 0.00 0.00 55.06 56.98 1gm0 s HIS 70 Cb -0.10 -3.49 0.00 0.00 -0.13 0.00 0.00 32.58 28.87 1gm0 s HIS 70 CO 0.35 -1.62 0.00 0.41 -2.47 0.00 0.00 174.74 171.41 1gm0 n GLY 71 N 3.55 0.23 2.28 1.59 0.00 0.15 -4.86 105.19 108.14 1gm0 n GLY 71 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.49 -0.03 -0.67 1.61 5.15 -0.80 -4.93 115.26 115.10 1gm0 n ASN 72 Ca 0.00 -2.93 0.11 0.00 -0.60 0.00 0.00 54.58 51.15 1gm0 n ASN 72 Cb 0.24 -0.24 0.33 0.00 -0.53 0.00 0.00 39.78 39.59 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 0.94 2.50 0.00 5.20 0.00 -1.18 -2.80 120.51 125.17 1gm0 n ALA 73 Ca 0.20 -0.62 -0.15 0.00 0.00 0.00 0.00 53.44 52.87 1gm0 n ALA 73 Cb 0.60 -1.04 -0.05 0.00 0.00 0.00 0.00 19.45 18.96 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 2.64 0.68 -0.00 0.00 2.86 -1.90 0.14 114.93 119.35 1gm0 h MET 74 Ca 0.00 -0.57 -0.15 0.00 -2.06 0.00 0.00 59.70 56.92 1gm0 h MET 74 Cb 0.58 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.34 1gm0 h MET 74 CO 0.00 1.18 -0.73 0.93 1.06 0.00 0.00 176.91 179.35 1gm0 h GLU 75 N 0.45 0.01 0.84 1.72 4.39 -1.87 0.47 114.58 120.59 1gm0 h GLU 75 Ca -0.05 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 1gm0 h GLU 75 Cb 1.41 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.07 1gm0 h GLU 75 CO 0.16 0.74 -0.41 0.35 -1.16 0.00 0.00 179.01 178.69 1gm0 h PHE 76 N 0.01 -1.05 -0.88 4.33 3.57 -1.69 -3.25 116.94 117.98 1gm0 h PHE 76 Ca -0.01 -0.02 0.16 0.00 3.53 0.00 0.00 57.97 61.63 1gm0 h PHE 76 Cb 1.29 0.35 -0.10 0.00 2.79 0.00 0.00 35.95 40.28 1gm0 h PHE 76 CO 0.00 -0.65 0.46 0.00 -2.23 0.00 0.00 178.31 175.89 1gm0 h ALA 77 N -1.00 1.35 -0.04 2.41 0.00 -0.33 0.12 119.26 121.78 1gm0 h ALA 77 Ca -0.12 0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1gm0 h ALA 77 Cb 0.87 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1gm0 h ALA 77 CO 0.19 -0.11 0.11 0.87 0.00 0.00 0.00 179.25 180.31 1gm0 h LYS 78 N 0.62 0.00 0.00 0.00 1.57 -0.53 -0.25 116.57 117.98 1gm0 h LYS 78 Ca 0.49 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.23 1gm0 h LYS 78 Cb 0.73 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 1gm0 h LYS 78 CO -0.38 0.00 -0.21 0.87 -0.57 0.00 0.00 179.45 179.16 1gm0 h LYS 79 N 0.00 0.00 0.00 3.15 1.57 -0.78 -2.98 116.57 117.53 1gm0 h LYS 79 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1gm0 h LYS 79 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1gm0 h LYS 79 CO -0.00 0.21 -1.21 0.72 -0.57 0.00 0.00 179.45 178.60 1gm0 n HIS 80 N -3.30 0.10 0.00 -1.35 8.25 -0.18 -4.97 115.22 113.78 1gm0 n HIS 80 Ca 0.01 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1gm0 n HIS 80 Cb 0.47 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.29 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 1.40 1.50 3.65 -1.41 0.00 -0.91 -4.98 105.19 104.44 1gm0 n GLY 81 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.39 3.47 1.25 4.61 0.00 -0.75 -4.82 121.76 124.12 1gm0 s ALA 82 Ca 0.00 0.70 -0.21 0.00 0.00 0.00 0.00 51.96 52.45 1gm0 s ALA 82 Cb 0.00 -3.78 0.31 0.00 0.00 0.00 0.00 23.12 19.64 1gm0 s ALA 82 CO 0.00 -1.63 1.11 -0.40 0.00 0.00 0.00 175.76 174.84 1gm0 n ASP 83 N 7.70 -2.06 -0.17 0.00 5.68 -1.26 -2.37 116.55 124.08 1gm0 n ASP 83 Ca 0.18 -1.18 -0.10 0.00 -0.50 0.00 0.00 54.79 53.18 1gm0 n ASP 83 Cb 0.44 -1.01 0.00 0.00 -1.14 0.00 0.00 41.12 39.41 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 0.86 -0.81 0.11 5.08 -1.94 -0.83 114.58 117.05 1gm0 h GLU 84 Ca -0.42 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 57.64 1gm0 h GLU 84 Cb 1.27 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.41 1gm0 h GLU 84 CO 0.27 0.92 0.44 1.15 -1.00 0.00 0.00 179.01 180.78 1gm0 h THR 85 N 0.72 1.24 -0.08 1.13 2.02 -1.97 0.19 112.91 116.15 1gm0 h THR 85 Ca 0.13 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1gm0 h THR 85 Cb 0.54 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1gm0 h THR 85 CO 0.03 0.27 0.05 0.24 0.37 0.00 0.00 175.52 176.48 1gm0 h MET 86 N 1.13 0.10 0.24 6.66 2.86 -1.79 0.93 114.93 125.08 1gm0 h MET 86 Ca 0.28 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.91 1gm0 h MET 86 Cb 0.04 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.68 1gm0 h MET 86 CO -0.04 0.07 -0.12 0.00 1.06 0.00 0.00 176.91 177.88 1gm0 h ALA 87 N 1.03 -0.33 0.00 6.32 0.00 -0.93 -3.00 119.26 122.36 1gm0 h ALA 87 Ca 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1gm0 h ALA 87 Cb -0.01 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1gm0 h ALA 87 CO -0.01 -0.67 -0.03 0.37 0.00 0.00 0.00 179.25 178.91 1gm0 h GLN 88 N -0.35 0.00 -0.54 0.00 5.75 -0.34 0.15 115.11 119.79 1gm0 h GLN 88 Ca -0.03 0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.48 1gm0 h GLN 88 Cb 0.27 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.79 1gm0 h GLN 88 CO 0.05 0.03 0.34 1.96 -2.65 0.00 0.00 178.83 178.56 1gm0 h GLN 89 N 0.00 0.66 -0.02 1.69 1.08 -0.74 -0.98 115.11 116.80 1gm0 h GLN 89 Ca -0.00 -0.04 -0.21 0.00 -1.45 0.00 0.00 58.65 56.95 1gm0 h GLN 89 Cb 0.05 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.33 1gm0 h GLN 89 CO 0.00 0.44 -0.87 -0.07 -0.95 0.00 0.00 178.83 177.38 1gm0 h LEU 90 N 0.68 0.44 -0.60 1.46 3.38 -0.66 -2.85 115.31 117.16 1gm0 h LEU 90 Ca 0.21 -0.34 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 1gm0 h LEU 90 Cb -0.03 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1gm0 h LEU 90 CO -0.07 1.12 -0.02 0.40 0.09 0.00 0.00 178.44 179.96 1gm0 h ILE 91 N 0.21 1.27 -0.58 1.22 2.04 -0.92 0.60 117.51 121.34 1gm0 h ILE 91 Ca -0.06 -1.18 0.01 0.00 1.00 0.00 0.00 64.86 64.63 1gm0 h ILE 91 Cb 1.48 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 38.35 1gm0 h ILE 91 CO 0.15 0.43 0.38 -0.78 0.00 0.00 0.00 178.15 178.32 1gm0 h ASP 92 N 0.98 0.65 0.04 1.72 3.58 -1.16 -1.47 116.42 120.75 1gm0 h ASP 92 Ca 0.17 -0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.63 1gm0 h ASP 92 Cb 0.59 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.45 1gm0 h ASP 92 CO 0.04 0.47 -0.18 0.40 -2.88 0.00 0.00 179.24 177.09 1gm0 h ILE 93 N 0.77 0.58 -0.37 2.25 2.04 -1.30 0.22 117.51 121.70 1gm0 h ILE 93 Ca 0.22 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.13 1gm0 h ILE 93 Cb -0.07 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 36.54 1gm0 h ILE 93 CO -0.06 0.00 0.08 0.58 0.00 0.00 0.00 178.15 178.75 1gm0 h VAL 94 N -0.31 0.82 0.00 1.67 2.07 -0.08 0.18 116.25 120.60 1gm0 h VAL 94 Ca 0.04 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1gm0 h VAL 94 Cb 0.36 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1gm0 h VAL 94 CO -0.14 0.04 -0.01 0.45 0.02 0.00 0.00 177.57 177.93 1gm0 h HIS 95 N 0.21 0.00 -0.36 1.57 3.86 -1.30 -1.33 115.15 117.81 1gm0 h HIS 95 Ca 0.18 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.32 1gm0 h HIS 95 Cb 0.20 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.65 1gm0 h HIS 95 CO -0.19 0.00 -0.07 0.78 0.86 0.00 0.00 177.93 179.31 1gm0 h GLY 96 N 4.03 0.65 0.52 2.45 0.00 0.74 -3.27 103.07 108.19 1gm0 h GLY 96 Ca 0.00 -0.44 -0.11 0.00 0.00 0.00 0.00 47.33 46.78 1gm0 h GLY 96 CO 0.00 0.40 -1.67 0.00 0.00 0.00 0.00 176.54 175.28 1gm0 h GLU 98 N 0.00 0.46 0.30 0.00 5.08 -1.34 -2.00 114.58 117.08 1gm0 h GLU 98 Ca -0.14 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 1gm0 h GLU 98 Cb 1.38 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1gm0 h GLU 98 CO 0.02 0.30 -0.14 0.87 -1.00 0.00 0.00 179.01 179.06 1gm0 h LYS 99 N 0.47 -0.39 0.00 2.33 6.56 -1.60 -3.36 116.57 120.58 1gm0 h LYS 99 Ca 0.30 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.92 1gm0 h LYS 99 Cb 0.34 0.09 0.00 0.00 -0.57 0.00 0.00 32.23 32.08 1gm0 h LYS 99 CO -0.27 -0.06 0.00 -1.13 -2.06 0.00 0.00 179.45 175.93 1gm0 n SER 100 N -5.06 0.56 -4.68 0.86 3.41 -0.60 -4.29 113.62 103.82 1gm0 n SER 100 Ca -0.08 0.59 -0.42 0.00 -0.26 0.00 0.00 58.87 58.69 1gm0 n SER 100 Cb 0.26 -0.72 -0.03 0.00 -0.26 0.00 0.00 64.21 63.46 1gm0 n SER 100 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1gm0 s THR 101 N -3.15 4.17 0.62 6.66 2.01 -0.76 -5.04 115.64 120.16 1gm0 s THR 101 Ca 0.09 1.49 -0.19 0.00 0.31 0.00 0.00 61.69 63.39 1gm0 s THR 101 Cb 0.12 -3.96 -0.02 0.00 0.01 0.00 0.00 72.50 68.65 1gm0 s THR 101 CO 0.48 -0.03 1.28 -2.16 -0.69 0.00 0.00 174.62 173.51 1gm0 s PRO 102 N 2.52 2.73 -1.23 4.92 0.04 -1.26 -4.83 135.00 137.89 1gm0 s PRO 102 Ca 0.57 2.04 -0.20 0.00 0.04 0.00 0.00 61.00 63.45 1gm0 s PRO 102 Cb -0.25 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.36 1gm0 s PRO 102 CO 0.21 -1.45 1.87 0.00 0.04 0.00 0.00 177.00 177.66 1gm0 n ALA 103 N -1.71 3.01 -1.81 8.56 0.00 -1.26 -4.88 120.51 122.43 1gm0 n ALA 103 Ca 0.15 -3.49 -0.41 0.00 0.00 0.00 0.00 53.44 49.68 1gm0 n ALA 103 Cb 0.48 -3.56 -0.02 0.00 0.00 0.00 0.00 19.45 16.36 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 5.07 6.49 0.34 0.00 3.84 -1.26 -4.88 114.94 124.54 1gm0 s ASN 104 Ca 0.59 2.83 0.23 0.00 0.21 0.00 0.00 52.86 56.73 1gm0 s ASN 104 Cb 0.04 -2.63 1.25 0.00 -0.55 0.00 0.00 41.25 39.36 1gm0 s ASN 104 CO 0.09 -0.82 1.71 -0.78 -2.79 0.00 0.00 177.10 174.51 1gm0 h ASP 105 N 4.88 0.00 -3.58 -4.21 3.58 -2.01 -3.38 116.42 111.70 1gm0 h ASP 105 Ca -0.47 0.00 -0.71 0.00 0.42 0.00 0.00 57.03 56.28 1gm0 h ASP 105 Cb 1.22 0.00 -0.25 0.00 1.72 0.00 0.00 39.33 42.02 1gm0 h ASP 105 CO 0.78 0.00 -0.52 -0.62 -2.88 0.00 0.00 179.24 176.00 1gm0 s ASP 106 N -4.10 5.68 0.53 2.28 -1.08 -1.26 -4.97 116.67 113.75 1gm0 s ASP 106 Ca -0.03 -1.06 0.18 0.00 -0.52 0.00 0.00 52.55 51.13 1gm0 s ASP 106 Cb 0.07 -2.00 1.32 0.00 -1.46 0.00 0.00 42.92 40.84 1gm0 s ASP 106 CO 0.21 -0.39 2.14 0.50 0.52 0.00 0.00 175.17 178.14 1gm0 h LYS 107 N 8.41 0.00 0.84 4.34 1.63 -1.99 -0.10 116.57 129.70 1gm0 h LYS 107 Ca -0.25 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.51 1gm0 h LYS 107 Cb 1.10 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.73 1gm0 h LYS 107 CO 0.67 0.00 -0.44 0.00 -3.45 0.00 0.00 179.45 176.22 1gm0 h ILE 109 N -1.18 1.25 0.21 0.00 2.04 -1.66 -0.66 117.51 117.51 1gm0 h ILE 109 Ca -0.11 -0.76 0.01 0.00 1.00 0.00 0.00 64.86 64.99 1gm0 h ILE 109 Cb 0.92 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 1gm0 h ILE 109 CO 0.16 0.31 -0.53 -0.25 0.00 0.00 0.00 178.15 177.85 1gm0 h TRP 110 N 1.09 -1.51 -0.54 1.37 7.01 -1.03 -1.85 115.95 120.50 1gm0 h TRP 110 Ca 0.26 0.03 0.11 0.00 2.11 0.00 0.00 58.89 61.40 1gm0 h TRP 110 Cb 0.18 0.63 -0.03 0.00 -2.10 0.00 0.00 29.16 27.84 1gm0 h TRP 110 CO 0.02 -0.62 0.37 1.15 -2.79 0.00 0.00 178.44 176.57 1gm0 h THR 111 N -0.82 0.86 0.03 2.65 2.02 0.00 0.12 112.91 117.77 1gm0 h THR 111 Ca -0.02 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 1gm0 h THR 111 Cb 0.79 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1gm0 h THR 111 CO -0.24 0.05 -0.01 0.25 0.37 0.00 0.00 175.52 175.94 1gm0 h LEU 112 N 0.26 -0.03 -0.36 2.58 7.12 -0.97 -1.47 115.31 122.44 1gm0 h LEU 112 Ca 0.25 -0.34 0.06 0.00 0.13 0.00 0.00 57.88 57.98 1gm0 h LEU 112 Cb 0.64 0.01 -0.06 0.00 -0.53 0.00 0.00 40.66 40.72 1gm0 h LEU 112 CO -0.05 0.33 0.02 1.23 -0.13 0.00 0.00 178.44 179.83 1gm0 h GLY 113 N -0.39 0.37 0.08 3.75 0.00 -0.11 0.60 103.07 107.38 1gm0 h GLY 113 Ca -0.00 0.03 0.04 0.00 0.00 0.00 0.00 47.33 47.39 1gm0 h GLY 113 CO 0.01 -0.07 -0.41 -2.08 0.00 0.00 0.00 176.54 173.98 1gm0 h VAL 114 N 0.12 0.16 0.00 4.60 2.07 -0.87 0.11 116.25 122.44 1gm0 h VAL 114 Ca 0.18 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.65 1gm0 h VAL 114 Cb 0.24 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1gm0 h VAL 114 CO -0.28 0.00 -0.24 0.00 0.02 0.00 0.00 177.57 177.07 1gm0 h ALA 115 N 0.08 1.21 -0.23 1.67 0.00 -0.89 -1.28 119.26 119.83 1gm0 h ALA 115 Ca 0.06 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1gm0 h ALA 115 Cb 0.63 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1gm0 h ALA 115 CO -0.36 0.30 -0.10 1.15 0.00 0.00 0.00 179.25 180.24 1gm0 h THR 116 N 0.00 1.30 -0.93 0.00 2.02 -0.25 -2.91 112.91 112.14 1gm0 h THR 116 Ca -0.00 -1.16 0.07 0.00 0.77 0.00 0.00 66.41 66.09 1gm0 h THR 116 Cb 0.58 1.57 -0.06 0.00 -1.74 0.00 0.00 68.15 68.50 1gm0 h THR 116 CO 0.03 0.36 0.60 0.00 0.37 0.00 0.00 175.52 176.88 1gm0 h PHE 118 N 1.04 -1.18 -0.79 0.00 3.04 -1.05 -0.76 116.94 117.24 1gm0 h PHE 118 Ca 0.40 0.02 0.14 0.00 3.98 0.00 0.00 57.97 62.51 1gm0 h PHE 118 Cb 0.23 0.48 -0.14 0.00 2.56 0.00 0.00 35.95 39.08 1gm0 h PHE 118 CO -0.00 -0.52 -0.31 -0.22 -2.02 0.00 0.00 178.31 175.23 1gm0 h LYS 119 N -0.74 -0.06 -0.52 1.11 3.64 -1.48 0.54 116.57 119.06 1gm0 h LYS 119 Ca -0.03 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1gm0 h LYS 119 Cb 0.68 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 1gm0 h LYS 119 CO -0.12 -0.04 0.32 0.00 -2.27 0.00 0.00 179.45 177.34 1gm0 h ALA 120 N 1.38 0.67 -0.57 5.00 0.00 -1.28 -1.49 119.26 122.97 1gm0 h ALA 120 Ca 0.32 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 1gm0 h ALA 120 Cb 0.58 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1gm0 h ALA 120 CO -0.83 0.03 -0.05 0.93 0.00 0.00 0.00 179.25 179.34 1gm0 h GLU 121 N 0.63 1.03 -0.64 0.00 4.39 0.39 -2.16 114.58 118.23 1gm0 h GLU 121 Ca 0.21 -0.35 0.10 0.00 0.34 0.00 0.00 59.36 59.66 1gm0 h GLU 121 Cb 0.01 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.53 1gm0 h GLU 121 CO -0.09 1.04 0.42 0.82 -1.16 0.00 0.00 179.01 180.04 1gm0 h ILE 122 N 0.93 0.90 0.00 3.13 2.04 -0.59 -0.24 117.51 123.69 1gm0 h ILE 122 Ca 0.16 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1gm0 h ILE 122 Cb 0.60 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1gm0 h ILE 122 CO 0.04 0.08 -0.00 -0.74 0.00 0.00 0.00 178.15 177.53 1gm0 h HIS 123 N 0.46 0.00 0.00 1.37 2.76 -0.59 -0.91 115.15 118.24 1gm0 h HIS 123 Ca 0.29 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.46 1gm0 h HIS 123 Cb 0.54 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.50 1gm0 h HIS 123 CO -0.00 0.00 -0.64 1.57 -1.30 0.00 0.00 177.93 177.56 1gm0 h LYS 124 N 0.00 0.00 -7.31 5.26 2.10 -1.05 -3.48 116.57 112.09 1gm0 h LYS 124 Ca -0.00 0.00 -0.51 0.00 -2.00 0.00 0.00 60.65 58.14 1gm0 h LYS 124 Cb 0.01 0.00 0.12 0.00 -0.90 0.00 0.00 32.23 31.45 1gm0 h LYS 124 CO 0.00 0.00 0.34 -0.51 -2.00 0.00 0.00 179.45 177.28 1gm0 s LEU 125 N -4.95 3.10 0.00 7.07 1.43 -0.35 -4.95 118.68 120.03 1gm0 s LEU 125 Ca 0.04 1.76 0.30 0.00 -1.03 0.00 0.00 54.13 55.20 1gm0 s LEU 125 Cb 0.11 -4.51 1.39 0.00 0.03 0.00 0.00 46.19 43.20 1gm0 s LEU 125 CO 0.73 -1.79 1.94 -3.20 0.23 0.00 0.00 176.35 174.27 1gm0 n ASN 126 N -3.29 0.51 -4.36 2.29 5.15 -1.26 -4.88 115.26 109.42 1gm0 n ASN 126 Ca 0.09 -0.83 -0.23 0.00 -0.60 0.00 0.00 54.58 53.00 1gm0 n ASN 126 Cb 0.53 -0.05 -0.10 0.00 -0.53 0.00 0.00 39.78 39.63 1gm0 n ASN 126 CO 0.00 0.00 0.00 -1.66 1.40 0.00 0.00 177.26 177.00 1gm0 s TRP 127 N -2.27 1.89 -0.40 1.20 1.48 -1.26 -5.13 118.94 114.45 1gm0 s TRP 127 Ca 0.35 -1.06 0.01 0.00 -1.06 0.00 0.00 56.10 54.34 1gm0 s TRP 127 Cb 0.21 -1.25 0.13 0.00 -1.16 0.00 0.00 33.47 31.40 1gm0 s TRP 127 CO 0.42 -0.09 0.21 0.00 -4.06 0.00 0.00 176.95 173.43 1gm0 s ALA 128 N -3.27 1.87 0.51 2.67 0.00 -1.26 -4.94 121.76 117.34 1gm0 s ALA 128 Ca 0.31 -2.32 -0.22 0.00 0.00 0.00 0.00 51.96 49.74 1gm0 s ALA 128 Cb 0.07 -1.80 -0.08 0.00 0.00 0.00 0.00 23.12 21.31 1gm0 s ALA 128 CO 0.15 -2.00 1.02 -2.30 0.00 0.00 0.00 175.76 172.63 1gm0 n PRO 129 N 3.86 1.22 -1.66 0.00 -0.02 -1.26 -4.94 135.00 132.21 1gm0 n PRO 129 Ca 0.07 0.45 -0.40 0.00 -2.02 0.00 0.00 63.50 61.60 1gm0 n PRO 129 Cb 0.36 -2.14 0.02 0.00 -0.02 0.00 0.00 33.50 31.72 1gm0 n PRO 129 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1gm0 n SER 130 N -0.11 1.85 0.10 2.55 7.64 -1.26 -4.76 113.62 119.63 1gm0 n SER 130 Ca 0.11 1.03 0.02 0.00 1.01 0.00 0.00 58.87 61.03 1gm0 n SER 130 Cb 0.43 -1.44 0.37 0.00 -1.01 0.00 0.00 64.21 62.56 1gm0 n SER 130 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1gm0 h MET 131 N 1.61 0.29 -0.85 1.43 2.86 -1.99 -0.66 114.93 117.63 1gm0 h MET 131 Ca -0.47 -0.07 0.03 0.00 -2.06 0.00 0.00 59.70 57.14 1gm0 h MET 131 Cb 1.32 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.89 1gm0 h MET 131 CO 0.57 0.42 0.55 -0.44 1.06 0.00 0.00 176.91 179.07 1gm0 h ASP 132 N 0.28 0.90 0.01 1.22 5.19 -1.98 -0.80 116.42 121.23 1gm0 h ASP 132 Ca 0.06 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1gm0 h ASP 132 Cb 0.38 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.69 1gm0 h ASP 132 CO 0.02 0.62 -0.00 0.58 -3.12 0.00 0.00 179.24 177.34 1gm0 h VAL 133 N 1.06 0.00 -0.68 -1.35 2.07 -1.71 -1.27 116.25 114.38 1gm0 h VAL 133 Ca 0.34 -0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.87 1gm0 h VAL 133 Cb 0.01 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.75 1gm0 h VAL 133 CO -0.12 0.00 0.45 0.00 0.02 0.00 0.00 177.57 177.92 1gm0 h ALA 134 N -1.99 1.55 0.10 1.67 0.00 -1.04 0.22 119.26 119.76 1gm0 h ALA 134 Ca -0.00 -0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.59 1gm0 h ALA 134 Cb 0.01 -0.26 0.02 0.00 0.00 0.00 0.00 17.79 17.55 1gm0 h ALA 134 CO 0.00 0.41 -1.18 0.28 0.00 0.00 0.00 179.25 178.76 1gm0 h VAL 135 N 0.89 1.38 -0.48 0.00 2.07 -1.30 -3.17 116.25 115.64 1gm0 h VAL 135 Ca 0.25 -2.64 0.06 0.00 0.82 0.00 0.00 66.70 65.19 1gm0 h VAL 135 Cb -0.06 2.71 -0.05 0.00 -1.52 0.00 0.00 31.29 32.37 1gm0 h VAL 135 CO -0.06 0.79 0.18 1.23 0.02 0.00 0.00 177.57 179.73 1gm0 h GLY 136 N 0.92 0.63 0.55 2.17 0.00 0.38 -3.06 103.07 104.65 1gm0 h GLY 136 Ca -0.15 -0.10 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 1gm0 h GLY 136 CO 0.21 0.02 -0.23 0.83 0.00 0.00 0.00 176.54 177.37 1gm0 h GLU 137 N 0.36 0.22 -0.78 4.80 5.08 -0.79 -2.67 114.58 120.79 1gm0 h GLU 137 Ca 0.22 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1gm0 h GLU 137 Cb 0.22 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 1gm0 h GLU 137 CO -0.22 0.86 0.40 0.97 -1.00 0.00 0.00 179.01 180.02 1gm0 h ILE 138 N -0.36 1.24 -0.79 3.13 2.10 -1.59 -0.82 117.51 120.41 1gm0 h ILE 138 Ca -0.02 -0.63 -0.04 0.00 1.08 0.00 0.00 64.86 65.26 1gm0 h ILE 138 Cb 0.91 0.21 -0.04 0.00 -1.09 0.00 0.00 36.82 36.81 1gm0 h ILE 138 CO 0.05 0.27 0.36 -0.07 -1.08 0.00 0.00 178.15 177.68 1gm0 h LEU 139 N 1.10 1.06 0.00 2.19 3.38 -1.58 0.13 115.31 121.60 1gm0 h LEU 139 Ca 0.27 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1gm0 h LEU 139 Cb 0.07 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1gm0 h LEU 139 CO -0.04 0.91 0.00 0.00 0.09 0.00 0.00 178.44 179.40 1gm0 n ALA 140 N -2.41 1.22 0.00 1.53 0.00 -0.35 -3.95 120.51 116.55 1gm0 n ALA 140 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1gm0 n ALA 140 Cb 0.16 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.42 3.19 0.00 0.00 1.02 -0.20 0.33 120.64 123.55 1gm0 n GLU 141 Ca 0.01 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.29 1gm0 n GLU 141 Cb 0.03 -0.92 0.50 0.00 -0.02 0.00 0.00 31.44 31.03 1gm0 n GLU 141 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59