#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gm0 s GLN 2 N 0.00 2.67 -1.18 -1.46 -0.21 -1.26 -4.53 119.66 113.69 1gm0 s GLN 2 Ca 0.00 0.61 -0.22 0.00 0.02 0.00 0.00 55.36 55.77 1gm0 s GLN 2 Cb 0.00 -1.99 0.00 0.00 1.00 0.00 0.00 33.01 32.03 1gm0 s GLN 2 CO 0.00 -1.20 0.73 -1.91 -2.12 0.00 0.00 175.29 170.79 1gm0 n GLU 3 N -3.15 -1.19 -2.70 2.91 2.13 -1.26 -4.95 120.64 112.44 1gm0 n GLU 3 Ca 0.07 0.37 -0.25 0.00 0.66 0.00 0.00 57.16 58.01 1gm0 n GLU 3 Cb 0.56 -3.81 -0.01 0.00 0.27 0.00 0.00 31.44 28.44 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 -4.39 2.38 -2.77 6.31 0.31 -1.26 -4.76 118.33 114.15 1gm0 n VAL 4 Ca -0.12 -5.01 0.00 0.00 -0.01 0.00 0.00 64.34 59.21 1gm0 n VAL 4 Cb 0.59 -1.11 0.05 0.00 -0.91 0.00 0.00 33.84 32.47 1gm0 n VAL 4 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1gm0 n MET 5 N -0.32 1.46 0.00 5.55 2.81 -1.26 -5.12 117.12 120.24 1gm0 n MET 5 Ca 0.33 -3.02 0.00 0.00 -1.81 0.00 0.00 57.70 53.20 1gm0 n MET 5 Cb 0.58 -1.15 0.00 0.00 -0.71 0.00 0.00 33.22 31.94 1gm0 n MET 5 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1gm0 n LYS 6 N -0.58 -0.16 -0.97 0.03 2.85 -1.26 -5.02 118.16 113.04 1gm0 n LYS 6 Ca 0.03 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.92 1gm0 n LYS 6 Cb 0.85 0.00 0.05 0.00 -0.65 0.00 0.00 35.03 35.27 1gm0 n LYS 6 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1gm0 n ASN 7 N -1.38 -4.41 -0.81 -5.58 2.04 -1.26 -4.66 115.26 99.19 1gm0 n ASN 7 Ca 0.00 0.10 0.00 0.00 -0.44 0.00 0.00 54.58 54.24 1gm0 n ASN 7 Cb 0.00 -0.68 0.00 0.00 -2.53 0.00 0.00 39.78 36.57 1gm0 n ASN 7 CO 0.00 0.00 0.00 -0.11 -0.44 0.00 0.00 177.26 176.71 1gm0 n LEU 8 N 3.02 -1.14 0.07 -4.53 -0.00 -1.26 -4.92 117.00 108.23 1gm0 n LEU 8 Ca -0.01 0.23 -0.13 0.00 -0.00 0.00 0.00 56.01 56.10 1gm0 n LEU 8 Cb 0.65 -0.39 -0.04 0.00 -0.00 0.00 0.00 43.42 43.64 1gm0 n LEU 8 CO 0.49 -0.67 0.19 0.28 -0.00 0.00 0.00 177.39 177.67 1gm0 h SER 9 N 2.66 0.47 -3.09 1.96 0.02 -1.99 -3.47 113.55 110.12 1gm0 h SER 9 Ca 0.00 -0.39 -0.56 0.00 -0.84 0.00 0.00 61.79 60.00 1gm0 h SER 9 Cb 0.02 -0.15 0.09 0.00 0.14 0.00 0.00 62.40 62.51 1gm0 h SER 9 CO 0.00 1.19 0.64 0.18 -1.14 0.00 0.00 176.83 177.70 1gm0 n LEU 10 N -3.72 3.62 -2.92 5.07 4.77 -1.26 -4.82 117.00 117.74 1gm0 n LEU 10 Ca -0.06 1.17 -0.31 0.00 -0.03 0.00 0.00 56.01 56.78 1gm0 n LEU 10 Cb 0.84 -1.49 -0.07 0.00 -2.33 0.00 0.00 43.42 40.36 1gm0 n LEU 10 CO 0.51 -0.31 2.81 -3.20 -1.33 0.00 0.00 177.39 175.87 1gm0 n ASN 11 N 1.58 7.68 0.12 -1.43 2.85 -0.64 -4.57 115.26 120.85 1gm0 n ASN 11 Ca 0.08 -2.58 0.05 0.00 -0.11 0.00 0.00 54.58 52.01 1gm0 n ASN 11 Cb 0.35 -1.50 0.48 0.00 1.24 0.00 0.00 39.78 40.34 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 4.36 0.26 0.09 1.20 0.04 -1.87 -2.95 116.94 118.07 1gm0 h PHE 12 Ca 0.66 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 61.44 1gm0 h PHE 12 Cb 0.65 -0.09 -0.05 0.00 2.20 0.00 0.00 35.95 38.67 1gm0 h PHE 12 CO 1.84 0.24 -0.51 0.78 -0.60 0.00 0.00 178.31 180.06 1gm0 h GLY 13 N 0.44 -1.08 0.99 -1.45 0.00 -1.98 0.17 103.07 100.15 1gm0 h GLY 13 Ca 0.07 0.62 -0.01 0.00 0.00 0.00 0.00 47.33 48.01 1gm0 h GLY 13 CO -0.00 -0.26 -0.14 0.50 0.00 0.00 0.00 176.54 176.63 1gm0 h LYS 14 N -0.72 -0.37 -0.50 4.80 1.79 -1.92 -1.51 116.57 118.14 1gm0 h LYS 14 Ca 0.01 0.03 0.03 0.00 -2.18 0.00 0.00 60.65 58.54 1gm0 h LYS 14 Cb 0.74 0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 31.44 1gm0 h LYS 14 CO -0.30 -0.25 0.27 0.00 -1.08 0.00 0.00 179.45 178.09 1gm0 h ALA 15 N 0.33 0.63 -0.64 3.86 0.00 -1.34 -1.70 119.26 120.40 1gm0 h ALA 15 Ca -0.04 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1gm0 h ALA 15 Cb 0.30 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1gm0 h ALA 15 CO 0.06 -0.06 0.37 -0.07 0.00 0.00 0.00 179.25 179.54 1gm0 h LEU 16 N 0.53 0.79 -1.99 0.00 3.38 -0.63 0.70 115.31 118.09 1gm0 h LEU 16 Ca 0.21 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1gm0 h LEU 16 Cb 0.08 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1gm0 h LEU 16 CO -0.13 0.64 -0.06 -0.78 0.09 0.00 0.00 178.44 178.21 1gm0 h ASP 17 N 0.88 0.00 0.12 -0.43 1.82 -0.42 0.13 116.42 118.51 1gm0 h ASP 17 Ca 0.23 0.00 -0.35 0.00 -0.39 0.00 0.00 57.03 56.52 1gm0 h ASP 17 Cb 0.02 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.01 1gm0 h ASP 17 CO -0.04 0.06 -1.90 -0.33 -1.61 0.00 0.00 179.24 175.42 1gm0 h GLU 18 N 0.00 0.24 -0.49 0.28 4.39 -1.00 -3.37 114.58 114.64 1gm0 h GLU 18 Ca -0.00 -0.42 0.00 0.00 0.34 0.00 0.00 59.36 59.28 1gm0 h GLU 18 Cb 0.33 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 1gm0 h GLU 18 CO 0.01 1.20 0.32 0.00 -1.16 0.00 0.00 179.01 179.38 1gm0 h LYS 20 N 0.66 0.30 -0.19 0.00 5.09 -0.98 -1.44 116.57 120.02 1gm0 h LYS 20 Ca 0.18 -0.02 -0.16 0.00 0.09 0.00 0.00 60.65 60.74 1gm0 h LYS 20 Cb -0.07 -0.07 -0.01 0.00 0.10 0.00 0.00 32.23 32.19 1gm0 h LYS 20 CO -0.04 0.20 -0.53 0.87 -2.09 0.00 0.00 179.45 177.86 1gm0 h LYS 21 N 0.31 0.56 0.33 0.07 1.57 -1.45 -0.82 116.57 117.14 1gm0 h LYS 21 Ca 0.32 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1gm0 h LYS 21 Cb 0.82 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1gm0 h LYS 21 CO -0.08 0.95 -0.16 0.93 -0.57 0.00 0.00 179.45 180.53 1gm0 h GLU 22 N 0.44 -0.43 -0.01 3.15 5.08 -1.13 -3.29 114.58 118.39 1gm0 h GLU 22 Ca 0.01 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1gm0 h GLU 22 Cb 1.07 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1gm0 h GLU 22 CO 0.10 -0.12 -0.18 -1.33 -1.00 0.00 0.00 179.01 176.49 1gm0 n MET 23 N -5.15 1.00 -3.37 2.33 0.00 -0.93 -4.93 117.12 106.07 1gm0 n MET 23 Ca -0.10 -0.56 -0.23 0.00 0.00 0.00 0.00 57.70 56.81 1gm0 n MET 23 Cb 0.27 -1.49 -0.00 0.00 0.00 0.00 0.00 33.22 32.00 1gm0 n MET 23 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1gm0 n THR 24 N -0.51 -1.03 -0.47 2.03 5.66 -0.32 -4.98 114.28 114.65 1gm0 n THR 24 Ca 0.14 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.86 1gm0 n THR 24 Cb 0.34 -1.88 0.23 0.00 -1.55 0.00 0.00 70.33 67.47 1gm0 n THR 24 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1gm0 n LEU 25 N -3.75 -1.61 -4.86 1.09 4.77 -1.16 -4.99 117.00 106.49 1gm0 n LEU 25 Ca -0.02 -0.37 -0.31 0.00 -0.03 0.00 0.00 56.01 55.28 1gm0 n LEU 25 Cb 0.54 -1.05 -0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1gm0 n LEU 25 CO 0.52 -3.58 0.70 0.42 -1.33 0.00 0.00 177.39 174.12 1gm0 s THR 26 N -2.24 4.66 0.19 -5.08 -4.23 -1.26 -4.96 115.64 102.72 1gm0 s THR 26 Ca 0.61 0.98 -0.11 0.00 -1.18 0.00 0.00 61.69 61.98 1gm0 s THR 26 Cb -0.16 -3.82 0.11 0.00 1.34 0.00 0.00 72.50 69.96 1gm0 s THR 26 CO 0.60 -0.99 1.78 -0.78 -0.54 0.00 0.00 174.62 174.69 1gm0 h ASP 27 N 0.10 0.39 -0.08 3.99 1.82 -1.99 -3.14 116.42 117.50 1gm0 h ASP 27 Ca -0.45 0.04 0.02 0.00 -0.39 0.00 0.00 57.03 56.25 1gm0 h ASP 27 Cb 1.19 -0.03 -0.00 0.00 0.68 0.00 0.00 39.33 41.16 1gm0 h ASP 27 CO 0.62 0.26 0.38 0.00 -1.61 0.00 0.00 179.24 178.89 1gm0 h ALA 28 N 1.32 1.51 -0.05 -0.78 0.00 -2.02 0.26 119.26 119.50 1gm0 h ALA 28 Ca 0.26 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1gm0 h ALA 28 Cb 0.19 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1gm0 h ALA 28 CO -0.19 -0.42 0.17 -0.84 0.00 0.00 0.00 179.25 177.97 1gm0 h ILE 29 N 0.00 0.13 -0.86 0.00 -0.00 -1.94 0.44 117.51 115.28 1gm0 h ILE 29 Ca 0.04 0.00 0.12 0.00 -0.00 0.00 0.00 64.86 65.02 1gm0 h ILE 29 Cb 0.80 0.84 -0.06 0.00 -0.00 0.00 0.00 36.82 38.40 1gm0 h ILE 29 CO -0.00 0.00 0.56 -1.13 -0.00 0.00 0.00 178.15 177.58 1gm0 h ASN 30 N 0.00 0.68 0.00 2.16 -0.73 -1.19 -1.27 115.58 115.22 1gm0 h ASN 30 Ca 0.02 0.03 -0.39 0.00 1.87 0.00 0.00 56.30 57.83 1gm0 h ASN 30 Cb 0.36 -0.11 -0.06 0.00 0.27 0.00 0.00 38.32 38.79 1gm0 h ASN 30 CO -0.00 0.37 -2.18 -0.62 -0.37 0.00 0.00 177.43 174.63 1gm0 n GLU 31 N -4.54 0.58 0.27 6.67 4.71 -0.76 -4.60 120.64 122.98 1gm0 n GLU 31 Ca 0.16 0.33 0.14 0.00 -0.01 0.00 0.00 57.16 57.79 1gm0 n GLU 31 Cb 0.40 -1.55 0.79 0.00 -1.01 0.00 0.00 31.44 30.07 1gm0 n GLU 31 CO 0.00 0.00 0.00 0.22 0.09 0.00 0.00 177.13 177.44 1gm0 h ASP 32 N -1.00 0.00 -0.02 1.62 3.58 -0.80 0.13 116.42 119.92 1gm0 h ASP 32 Ca -0.59 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 56.85 1gm0 h ASP 32 Cb 1.51 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.56 1gm0 h ASP 32 CO -0.36 0.09 0.00 0.15 -2.88 0.00 0.00 179.24 176.24 1gm0 h PHE 33 N 0.00 0.04 -0.43 0.28 3.57 -1.47 -2.83 116.94 116.10 1gm0 h PHE 33 Ca -0.00 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.37 1gm0 h PHE 33 Cb 0.30 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1gm0 h PHE 33 CO 0.00 0.30 -0.20 1.88 -2.23 0.00 0.00 178.31 178.05 1gm0 h TYR 34 N -0.23 0.97 0.00 0.41 -1.99 -1.21 -2.87 116.97 112.05 1gm0 h TYR 34 Ca 0.01 -0.22 -0.01 0.00 2.00 0.00 0.00 58.73 60.51 1gm0 h TYR 34 Cb 0.28 -0.23 -0.00 0.00 2.00 0.00 0.00 36.73 38.78 1gm0 h TYR 34 CO 0.02 0.98 -0.03 -0.91 -0.00 0.00 0.00 178.16 178.22 1gm0 h ASN 35 N 0.75 0.00 -0.86 3.88 2.35 -0.84 -2.39 115.58 118.46 1gm0 h ASN 35 Ca 0.10 0.00 0.19 0.00 -0.55 0.00 0.00 56.30 56.04 1gm0 h ASN 35 Cb 0.74 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.04 1gm0 h ASN 35 CO 0.06 0.03 0.57 0.15 -1.65 0.00 0.00 177.43 176.59 1gm0 h PHE 36 N 0.00 0.54 -0.00 1.19 3.57 -1.26 -1.25 116.94 119.73 1gm0 h PHE 36 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1gm0 h PHE 36 Cb 0.22 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.79 1gm0 h PHE 36 CO 0.00 0.16 -0.16 0.91 -2.23 0.00 0.00 178.31 176.99 1gm0 n TRP 37 N -4.50 0.00 -2.47 0.41 8.01 -0.90 -4.91 117.44 113.08 1gm0 n TRP 37 Ca 0.18 0.00 -0.38 0.00 -1.31 0.00 0.00 57.50 55.99 1gm0 n TRP 37 Cb 0.64 -0.37 -0.04 0.00 -2.01 0.00 0.00 31.31 29.53 1gm0 n TRP 37 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.69 176.83 1gm0 s LYS 38 N -2.91 4.30 0.43 -0.99 1.02 -0.47 -4.99 119.74 116.12 1gm0 s LYS 38 Ca 0.16 1.68 -0.25 0.00 0.02 0.00 0.00 55.97 57.57 1gm0 s LYS 38 Cb 0.19 -2.79 -0.08 0.00 -0.52 0.00 0.00 37.83 34.63 1gm0 s LYS 38 CO 0.57 -0.06 1.28 -1.21 -0.92 0.00 0.00 175.35 175.01 1gm0 s GLU 39 N -2.10 3.86 0.00 1.68 8.01 -1.26 -2.64 118.70 126.25 1gm0 s GLU 39 Ca 0.53 2.09 0.00 0.00 0.01 0.00 0.00 54.97 57.60 1gm0 s GLU 39 Cb -0.27 -2.65 0.00 0.00 -4.31 0.00 0.00 34.13 26.90 1gm0 s GLU 39 CO 0.34 -0.56 0.00 0.41 0.01 0.00 0.00 175.26 175.46 1gm0 n GLY 40 N 0.64 0.00 3.68 -1.39 0.00 -1.26 -4.96 105.19 101.90 1gm0 n GLY 40 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.93 3.42 -0.38 1.61 6.14 -1.08 -5.06 117.35 121.08 1gm0 s TYR 41 Ca 0.00 0.88 -0.06 0.00 0.64 0.00 0.00 57.07 58.53 1gm0 s TYR 41 Cb 0.00 -2.68 0.07 0.00 0.42 0.00 0.00 41.96 39.77 1gm0 s TYR 41 CO 0.00 -0.03 0.17 -1.21 0.64 0.00 0.00 175.55 175.12 1gm0 s GLU 42 N 1.37 2.45 -0.85 4.97 8.01 -1.26 -4.87 118.70 128.52 1gm0 s GLU 42 Ca 0.27 -1.45 -0.03 0.00 0.01 0.00 0.00 54.97 53.77 1gm0 s GLU 42 Cb -0.16 -3.57 0.21 0.00 -4.31 0.00 0.00 34.13 26.31 1gm0 s GLU 42 CO 0.11 -0.86 0.73 0.42 0.01 0.00 0.00 175.26 175.67 1gm0 s ILE 43 N 1.33 4.41 -2.06 -1.63 1.09 -1.26 -4.88 121.20 118.20 1gm0 s ILE 43 Ca 0.02 -3.58 0.12 0.00 -1.10 0.00 0.00 60.65 56.11 1gm0 s ILE 43 Cb -0.22 -3.75 0.30 0.00 -1.06 0.00 0.00 42.46 37.73 1gm0 s ILE 43 CO 0.00 -1.05 1.33 0.29 -0.10 0.00 0.00 174.94 175.42 1gm0 n LYS 44 N 2.68 1.45 -1.01 2.79 4.76 -1.26 -4.95 118.16 122.62 1gm0 n LYS 44 Ca 0.18 -0.70 -0.31 0.00 -2.87 0.00 0.00 58.31 54.62 1gm0 n LYS 44 Cb 0.38 -1.23 0.14 0.00 -1.84 0.00 0.00 35.03 32.47 1gm0 n LYS 44 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1gm0 s ASN 45 N -1.22 3.51 -0.05 4.39 2.47 -1.26 -4.98 114.94 117.80 1gm0 s ASN 45 Ca 0.20 1.86 -0.11 0.00 0.42 0.00 0.00 52.86 55.23 1gm0 s ASN 45 Cb 0.10 -2.45 -0.06 0.00 -1.45 0.00 0.00 41.25 37.39 1gm0 s ASN 45 CO 0.15 -2.67 0.47 0.03 -3.72 0.00 0.00 177.10 171.36 1gm0 h ARG 46 N -1.57 -0.38 -0.06 0.43 -0.00 -1.98 -3.35 114.38 107.47 1gm0 h ARG 46 Ca -0.46 0.03 0.02 0.00 -0.50 0.00 0.00 59.98 59.06 1gm0 h ARG 46 Cb 1.26 0.09 -0.00 0.00 0.00 0.00 0.00 29.97 31.31 1gm0 h ARG 46 CO 0.49 -0.25 0.09 0.93 0.00 0.00 0.00 179.97 181.22 1gm0 h GLU 47 N -1.03 0.00 -0.40 0.04 3.07 -1.96 0.87 114.58 115.18 1gm0 h GLU 47 Ca -0.04 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.87 1gm0 h GLU 47 Cb 0.30 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.16 1gm0 h GLU 47 CO 0.07 0.00 0.13 1.15 -1.40 0.00 0.00 179.01 178.95 1gm0 h THR 48 N 0.00 0.86 -0.46 1.13 2.02 -1.94 0.68 112.91 115.20 1gm0 h THR 48 Ca 0.03 -0.10 -0.11 0.00 0.77 0.00 0.00 66.41 67.00 1gm0 h THR 48 Cb 0.20 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1gm0 h THR 48 CO -0.00 0.05 -0.13 1.23 0.37 0.00 0.00 175.52 177.04 1gm0 h GLY 49 N 0.28 0.98 0.67 2.16 0.00 -1.00 -2.03 103.07 104.13 1gm0 h GLY 49 Ca 0.18 -0.82 0.05 0.00 0.00 0.00 0.00 47.33 46.75 1gm0 h GLY 49 CO -0.20 0.75 0.25 0.00 0.00 0.00 0.00 176.54 177.34 1gm0 h ALA 51 N 1.30 -0.12 0.11 0.00 0.00 -0.67 -0.09 119.26 119.78 1gm0 h ALA 51 Ca 0.24 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1gm0 h ALA 51 Cb 0.17 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1gm0 h ALA 51 CO -0.18 -0.55 -0.44 0.82 0.00 0.00 0.00 179.25 178.89 1gm0 h ILE 52 N -0.15 0.12 -0.51 0.00 2.04 -1.08 0.51 117.51 118.45 1gm0 h ILE 52 Ca -0.01 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.91 1gm0 h ILE 52 Cb 0.12 0.12 -0.05 0.00 -0.74 0.00 0.00 36.82 36.27 1gm0 h ILE 52 CO 0.02 0.00 0.21 -0.03 0.00 0.00 0.00 178.15 178.35 1gm0 h MET 53 N -0.67 0.40 -0.58 2.37 4.05 -0.76 0.49 114.93 120.23 1gm0 h MET 53 Ca 0.02 -0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.34 1gm0 h MET 53 Cb 0.70 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.38 1gm0 h MET 53 CO -0.26 0.27 0.06 0.00 0.23 0.00 0.00 176.91 177.20 1gm0 h LEU 55 N 0.88 0.00 -2.04 0.00 3.38 0.33 -2.93 115.31 114.93 1gm0 h LEU 55 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1gm0 h LEU 55 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1gm0 h LEU 55 CO 0.02 0.07 0.03 0.77 0.09 0.00 0.00 178.44 179.41 1gm0 h SER 56 N 0.00 0.00 -0.06 -0.43 4.64 -0.74 -1.02 113.55 115.94 1gm0 h SER 56 Ca -0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1gm0 h SER 56 Cb 0.42 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.37 1gm0 h SER 56 CO 0.01 0.00 -0.67 1.07 -0.87 0.00 0.00 176.83 176.37 1gm0 n THR 57 N -2.59 1.66 -1.15 2.95 5.66 -1.10 -4.48 114.28 115.22 1gm0 n THR 57 Ca -0.02 -2.75 0.05 0.00 -3.05 0.00 0.00 64.05 58.28 1gm0 n THR 57 Cb 0.08 0.05 0.07 0.00 -1.55 0.00 0.00 70.33 68.98 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 -0.67 1.11 -0.33 1.09 4.76 -0.39 -4.86 118.16 118.86 1gm0 n LYS 58 Ca 0.17 -1.87 0.16 0.00 -2.87 0.00 0.00 58.31 53.91 1gm0 n LYS 58 Cb 0.83 -1.10 0.39 0.00 -1.84 0.00 0.00 35.03 33.31 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 0.66 -1.10 -0.35 3.38 -1.80 0.13 115.31 116.23 1gm0 h LEU 59 Ca 0.00 0.10 0.12 0.00 0.09 0.00 0.00 57.88 58.19 1gm0 h LEU 59 Cb 1.03 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.69 1gm0 h LEU 59 CO 0.00 0.20 0.61 -1.13 0.09 0.00 0.00 178.44 178.21 1gm0 h ASN 60 N 0.62 0.85 -0.35 -0.43 -1.24 -1.86 0.88 115.58 114.05 1gm0 h ASN 60 Ca 0.58 0.04 -0.11 0.00 0.71 0.00 0.00 56.30 57.52 1gm0 h ASN 60 Cb 1.10 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 40.02 1gm0 h ASN 60 CO -0.36 0.46 -0.22 0.24 -1.29 0.00 0.00 177.43 176.25 1gm0 h MET 61 N 0.92 0.77 -0.07 6.67 2.86 -1.13 -3.26 114.93 121.68 1gm0 h MET 61 Ca 0.47 -0.36 -0.13 0.00 -2.06 0.00 0.00 59.70 57.62 1gm0 h MET 61 Cb 0.52 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 32.18 1gm0 h MET 61 CO -0.24 0.98 -0.46 -0.07 1.06 0.00 0.00 176.91 178.18 1gm0 h LEU 62 N 0.55 0.53 -7.46 1.22 3.38 -1.06 -3.41 115.31 109.06 1gm0 h LEU 62 Ca 0.07 -0.67 -0.63 0.00 0.09 0.00 0.00 57.88 56.74 1gm0 h LEU 62 Cb 0.78 -0.16 -0.40 0.00 0.09 0.00 0.00 40.66 40.97 1gm0 h LEU 62 CO 0.06 1.12 -0.73 -0.62 0.09 0.00 0.00 178.44 178.35 1gm0 s ASP 63 N -6.60 4.45 0.44 -0.43 -1.08 0.22 -1.62 116.67 112.05 1gm0 s ASP 63 Ca -0.13 -1.96 0.23 0.00 -0.52 0.00 0.00 52.55 50.17 1gm0 s ASP 63 Cb 0.04 -1.31 0.93 0.00 -1.46 0.00 0.00 42.92 41.13 1gm0 s ASP 63 CO 0.81 -0.39 1.83 1.55 0.52 0.00 0.00 175.17 179.49 1gm0 h PRO 64 N 7.79 0.00 0.00 4.34 0.13 -1.80 -1.92 132.00 140.54 1gm0 h PRO 64 Ca -0.08 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.04 1gm0 h PRO 64 Cb 1.02 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.14 1gm0 h PRO 64 CO 0.50 0.24 -0.06 0.93 -0.23 0.00 0.00 178.00 179.38 1gm0 h GLU 65 N 0.00 0.00 -0.31 0.86 5.08 -1.95 -3.47 114.58 114.79 1gm0 h GLU 65 Ca -0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 1gm0 h GLU 65 Cb 0.73 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.93 1gm0 h GLU 65 CO 0.03 0.06 -0.12 0.41 -1.00 0.00 0.00 179.01 178.39 1gm0 n GLY 66 N -1.19 0.86 0.27 -3.84 0.00 -0.72 -4.93 105.19 95.64 1gm0 n GLY 66 Ca -0.03 -0.46 0.05 0.00 0.00 0.00 0.00 46.02 45.58 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 0.20 -1.33 1.61 2.35 -1.91 -3.32 115.58 113.19 1gm0 h ASN 67 Ca -0.13 -0.02 -0.54 0.00 -0.55 0.00 0.00 56.30 55.06 1gm0 h ASN 67 Cb 0.54 -0.05 -0.09 0.00 0.05 0.00 0.00 38.32 38.78 1gm0 h ASN 67 CO 0.20 0.21 1.30 -0.22 -1.65 0.00 0.00 177.43 177.27 1gm0 s LEU 68 N -9.10 3.38 0.38 1.61 2.96 -1.26 -4.05 118.68 112.60 1gm0 s LEU 68 Ca -0.06 -1.07 -0.15 0.00 -0.22 0.00 0.00 54.13 52.63 1gm0 s LEU 68 Cb 0.17 -2.56 -0.09 0.00 0.50 0.00 0.00 46.19 44.21 1gm0 s LEU 68 CO 0.71 -1.79 0.81 -1.00 -1.32 0.00 0.00 176.35 173.75 1gm0 s HIS 69 N 6.04 3.39 0.10 5.38 3.76 -1.25 -4.77 115.29 127.94 1gm0 s HIS 69 Ca 0.48 1.27 -0.31 0.00 -0.15 0.00 0.00 55.06 56.35 1gm0 s HIS 69 Cb -0.03 -2.59 -0.08 0.00 1.11 0.00 0.00 32.58 30.99 1gm0 s HIS 69 CO -0.03 -0.04 1.43 -1.58 -0.85 0.00 0.00 174.74 173.68 1gm0 s HIS 70 N -2.17 3.10 -0.88 1.40 2.46 -1.26 -3.13 115.29 114.81 1gm0 s HIS 70 Ca 0.55 0.85 0.00 0.00 0.47 0.00 0.00 55.06 56.93 1gm0 s HIS 70 Cb -0.10 -3.73 0.00 0.00 -0.13 0.00 0.00 32.58 28.62 1gm0 s HIS 70 CO 0.21 -2.61 0.00 0.41 -2.47 0.00 0.00 174.74 170.28 1gm0 n GLY 71 N 3.58 0.91 2.70 1.59 0.00 0.45 -4.83 105.19 109.60 1gm0 n GLY 71 Ca 0.12 -0.18 -0.04 0.00 0.00 0.00 0.00 46.02 45.92 1gm0 n GLY 71 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1gm0 n ASN 72 N -0.53 -0.92 -0.22 1.61 5.15 -1.18 -5.00 115.26 114.16 1gm0 n ASN 72 Ca -0.08 -2.34 0.00 0.00 -0.60 0.00 0.00 54.58 51.56 1gm0 n ASN 72 Cb 0.43 0.53 0.00 0.00 -0.53 0.00 0.00 39.78 40.20 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 -0.93 2.42 -0.09 5.20 0.00 -1.24 -4.28 120.51 121.59 1gm0 n ALA 73 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.26 1gm0 n ALA 73 Cb 0.85 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.26 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 0.03 0.52 -0.30 0.00 2.86 -1.92 0.14 114.93 116.26 1gm0 h MET 74 Ca 0.00 -0.20 -0.08 0.00 -2.06 0.00 0.00 59.70 57.37 1gm0 h MET 74 Cb 0.20 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1gm0 h MET 74 CO 0.00 0.73 -0.11 0.93 1.06 0.00 0.00 176.91 179.52 1gm0 h GLU 75 N 0.27 0.61 0.11 1.72 4.39 -1.87 0.07 114.58 119.89 1gm0 h GLU 75 Ca 0.07 -0.25 0.02 0.00 0.34 0.00 0.00 59.36 59.54 1gm0 h GLU 75 Cb 0.53 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.12 1gm0 h GLU 75 CO 0.03 0.82 -0.31 0.35 -1.16 0.00 0.00 179.01 178.74 1gm0 h PHE 76 N 0.37 -0.85 -0.91 4.33 3.57 -1.67 -2.60 116.94 119.17 1gm0 h PHE 76 Ca 0.07 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.70 1gm0 h PHE 76 Cb 0.62 0.36 -0.07 0.00 2.79 0.00 0.00 35.95 39.65 1gm0 h PHE 76 CO 0.06 -0.42 0.59 0.00 -2.23 0.00 0.00 178.31 176.31 1gm0 h ALA 77 N 0.13 1.64 0.00 2.41 0.00 -0.46 0.16 119.26 123.14 1gm0 h ALA 77 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1gm0 h ALA 77 Cb 0.56 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1gm0 h ALA 77 CO -0.19 0.16 -0.02 0.87 0.00 0.00 0.00 179.25 180.07 1gm0 h LYS 78 N 0.88 0.00 0.00 0.00 1.57 -0.62 -0.99 116.57 117.41 1gm0 h LYS 78 Ca 0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 1gm0 h LYS 78 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1gm0 h LYS 78 CO -0.20 0.02 0.00 0.87 -0.57 0.00 0.00 179.45 179.57 1gm0 h LYS 79 N 0.00 0.00 -0.23 3.15 1.57 -0.31 -2.02 116.57 118.73 1gm0 h LYS 79 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1gm0 h LYS 79 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1gm0 h LYS 79 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.60 1gm0 n HIS 80 N -2.69 0.40 -0.58 -1.35 8.25 -0.41 -4.99 115.22 113.86 1gm0 n HIS 80 Ca -0.01 -0.58 0.00 0.00 -0.26 0.00 0.00 57.72 56.86 1gm0 n HIS 80 Cb 0.11 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.14 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 0.01 0.73 3.69 -1.41 0.00 -0.76 -4.85 105.19 102.61 1gm0 n GLY 81 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.34 3.62 1.06 4.61 0.00 -1.02 -4.97 121.76 122.72 1gm0 s ALA 82 Ca 0.00 1.00 -0.13 0.00 0.00 0.00 0.00 51.96 52.83 1gm0 s ALA 82 Cb 0.00 -3.63 0.18 0.00 0.00 0.00 0.00 23.12 19.67 1gm0 s ALA 82 CO 0.00 -0.99 0.90 -0.40 0.00 0.00 0.00 175.76 175.27 1gm0 n ASP 83 N 5.49 -0.52 -0.03 0.00 5.68 -1.26 -3.80 116.55 122.10 1gm0 n ASP 83 Ca 0.14 -1.23 -0.10 0.00 -0.50 0.00 0.00 54.79 53.10 1gm0 n ASP 83 Cb 0.42 -0.73 -0.04 0.00 -1.14 0.00 0.00 41.12 39.63 1gm0 n ASP 83 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1gm0 h GLU 84 N 0.00 0.23 -0.28 0.11 4.81 -1.96 -1.71 114.58 115.77 1gm0 h GLU 84 Ca -0.30 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 58.79 1gm0 h GLU 84 Cb 0.87 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 1gm0 h GLU 84 CO 0.21 0.20 -0.30 1.15 -0.73 0.00 0.00 179.01 179.54 1gm0 h THR 85 N 0.19 1.28 0.06 0.32 2.02 -1.98 0.11 112.91 114.92 1gm0 h THR 85 Ca 0.06 -1.40 -0.00 0.00 0.77 0.00 0.00 66.41 65.83 1gm0 h THR 85 Cb 0.03 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1gm0 h THR 85 CO -0.01 0.45 -0.03 0.24 0.37 0.00 0.00 175.52 176.54 1gm0 h MET 86 N 0.51 -0.08 0.13 6.66 2.86 -1.90 0.28 114.93 123.39 1gm0 h MET 86 Ca 0.06 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1gm0 h MET 86 Cb 0.78 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.46 1gm0 h MET 86 CO 0.06 0.06 -0.06 0.00 1.06 0.00 0.00 176.91 178.03 1gm0 h ALA 87 N 0.72 -0.18 -0.69 6.32 0.00 -1.10 -2.98 119.26 121.35 1gm0 h ALA 87 Ca -0.01 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.87 1gm0 h ALA 87 Cb 0.18 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1gm0 h ALA 87 CO 0.01 -0.55 0.46 0.37 0.00 0.00 0.00 179.25 179.54 1gm0 h GLN 88 N -0.28 0.75 -0.09 0.00 5.75 -0.70 -0.18 115.11 120.37 1gm0 h GLN 88 Ca -0.02 -0.05 0.04 0.00 -0.15 0.00 0.00 58.65 58.48 1gm0 h GLN 88 Cb 0.23 -0.17 -0.06 0.00 1.07 0.00 0.00 27.48 28.55 1gm0 h GLN 88 CO 0.03 0.50 -0.32 1.96 -2.65 0.00 0.00 178.83 178.35 1gm0 h GLN 89 N 0.78 -0.40 -0.13 1.69 1.08 -0.86 0.44 115.11 117.70 1gm0 h GLN 89 Ca 0.29 0.03 -0.05 0.00 -1.45 0.00 0.00 58.65 57.46 1gm0 h GLN 89 Cb 0.16 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 1gm0 h GLN 89 CO -0.09 -0.27 -0.15 -0.07 -0.95 0.00 0.00 178.83 177.30 1gm0 h LEU 90 N -0.42 0.20 -0.02 1.46 3.38 -0.90 -2.18 115.31 116.82 1gm0 h LEU 90 Ca 0.08 -0.04 -0.25 0.00 0.09 0.00 0.00 57.88 57.76 1gm0 h LEU 90 Cb 0.55 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1gm0 h LEU 90 CO -0.33 0.38 -1.10 0.40 0.09 0.00 0.00 178.44 177.88 1gm0 h ILE 91 N 0.20 1.46 -0.89 1.22 2.04 -1.06 -0.29 117.51 120.20 1gm0 h ILE 91 Ca 0.04 -2.78 0.03 0.00 1.00 0.00 0.00 64.86 63.16 1gm0 h ILE 91 Cb 0.39 2.70 -0.05 0.00 -0.74 0.00 0.00 36.82 39.12 1gm0 h ILE 91 CO 0.02 0.82 0.57 -0.78 0.00 0.00 0.00 178.15 178.78 1gm0 h ASP 92 N 0.14 0.95 -0.52 1.72 3.58 -0.59 -1.09 116.42 120.60 1gm0 h ASP 92 Ca -0.11 -0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.27 1gm0 h ASP 92 Cb 1.78 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 42.60 1gm0 h ASP 92 CO 0.18 0.65 0.08 0.40 -2.88 0.00 0.00 179.24 177.67 1gm0 h ILE 93 N 1.11 1.25 0.13 2.25 2.04 -1.26 -0.21 117.51 122.82 1gm0 h ILE 93 Ca 0.35 -0.96 0.01 0.00 1.00 0.00 0.00 64.86 65.27 1gm0 h ILE 93 Cb 0.01 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 1gm0 h ILE 93 CO -0.12 0.35 -0.21 0.58 0.00 0.00 0.00 178.15 178.74 1gm0 h VAL 94 N 0.76 0.52 0.00 1.67 2.07 0.13 0.13 116.25 121.52 1gm0 h VAL 94 Ca 0.16 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1gm0 h VAL 94 Cb 0.42 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1gm0 h VAL 94 CO 0.01 0.00 0.00 0.45 0.02 0.00 0.00 177.57 178.05 1gm0 h HIS 95 N -0.41 0.00 0.07 1.57 3.86 -1.29 -2.86 115.15 116.08 1gm0 h HIS 95 Ca 0.02 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 58.98 1gm0 h HIS 95 Cb 0.42 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.90 1gm0 h HIS 95 CO -0.20 0.00 -1.09 0.78 0.86 0.00 0.00 177.93 178.28 1gm0 h GLY 96 N 2.67 0.41 1.38 2.45 0.00 -0.14 -3.36 103.07 106.49 1gm0 h GLY 96 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.49 1gm0 h GLY 96 CO 0.00 0.74 -0.61 0.00 0.00 0.00 0.00 176.54 176.68 1gm0 h GLU 98 N 0.00 0.42 0.06 0.00 5.08 -1.68 -2.95 114.58 115.51 1gm0 h GLU 98 Ca 0.00 -0.03 -0.28 0.00 -1.00 0.00 0.00 59.36 58.06 1gm0 h GLU 98 Cb 0.98 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1gm0 h GLU 98 CO 0.00 0.28 -1.49 0.87 -1.00 0.00 0.00 179.01 177.67 1gm0 h LYS 99 N 0.44 0.12 -0.37 2.33 1.79 -1.61 -3.29 116.57 115.97 1gm0 h LYS 99 Ca 0.33 -0.21 -0.03 0.00 -2.18 0.00 0.00 60.65 58.56 1gm0 h LYS 99 Cb 0.67 0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.38 1gm0 h LYS 99 CO -0.10 1.10 0.09 0.66 -1.08 0.00 0.00 179.45 180.12 1gm0 h SER 100 N -0.56 0.50 -2.95 0.86 4.64 -1.64 -3.41 113.55 110.99 1gm0 h SER 100 Ca -0.36 -0.07 -0.54 0.00 -0.47 0.00 0.00 61.79 60.36 1gm0 h SER 100 Cb 1.60 -0.13 0.01 0.00 -0.31 0.00 0.00 62.40 63.57 1gm0 h SER 100 CO -0.07 0.51 0.79 -0.89 -0.87 0.00 0.00 176.83 176.29 1gm0 s THR 101 N -5.15 3.52 0.42 2.95 2.01 -1.12 -5.00 115.64 113.28 1gm0 s THR 101 Ca -0.08 1.01 -0.26 0.00 0.31 0.00 0.00 61.69 62.67 1gm0 s THR 101 Cb 0.16 -3.65 -0.09 0.00 0.01 0.00 0.00 72.50 68.93 1gm0 s THR 101 CO 0.76 0.03 1.38 -2.16 -0.69 0.00 0.00 174.62 173.94 1gm0 s PRO 102 N 1.82 3.89 -0.80 4.92 0.04 -1.26 -4.87 135.00 138.74 1gm0 s PRO 102 Ca 0.65 2.32 -0.25 0.00 0.04 0.00 0.00 61.00 63.76 1gm0 s PRO 102 Cb -0.34 -2.76 -0.05 0.00 0.04 0.00 0.00 34.50 31.39 1gm0 s PRO 102 CO 0.29 -0.62 2.00 0.00 0.04 0.00 0.00 177.00 178.70 1gm0 s ALA 103 N -1.21 1.67 0.88 8.56 0.00 -1.26 -4.93 121.76 125.47 1gm0 s ALA 103 Ca 0.58 -1.17 -0.11 0.00 0.00 0.00 0.00 51.96 51.26 1gm0 s ALA 103 Cb -0.42 -4.49 0.12 0.00 0.00 0.00 0.00 23.12 18.34 1gm0 s ALA 103 CO 0.54 -4.71 1.11 -0.80 0.00 0.00 0.00 175.76 171.91 1gm0 s ASN 104 N 8.53 3.37 0.49 0.00 -0.87 -1.26 -4.92 114.94 120.28 1gm0 s ASN 104 Ca 0.73 1.93 0.32 0.00 -1.57 0.00 0.00 52.86 54.27 1gm0 s ASN 104 Cb -0.09 -2.49 1.39 0.00 -0.02 0.00 0.00 41.25 40.04 1gm0 s ASN 104 CO 0.06 -2.77 1.95 -0.78 -2.57 0.00 0.00 177.10 172.99 1gm0 h ASP 105 N -1.64 0.00 -3.11 -1.22 3.58 -2.01 -3.43 116.42 108.60 1gm0 h ASP 105 Ca -0.45 0.00 -0.64 0.00 0.42 0.00 0.00 57.03 56.35 1gm0 h ASP 105 Cb 1.26 0.00 -0.35 0.00 1.72 0.00 0.00 39.33 41.96 1gm0 h ASP 105 CO 0.47 0.00 -0.85 -0.62 -2.88 0.00 0.00 179.24 175.36 1gm0 s ASP 106 N -5.22 2.99 0.51 2.28 2.15 -1.26 -5.01 116.67 113.11 1gm0 s ASP 106 Ca 0.01 -0.61 0.17 0.00 0.43 0.00 0.00 52.55 52.56 1gm0 s ASP 106 Cb 0.09 -1.36 1.27 0.00 -0.30 0.00 0.00 42.92 42.62 1gm0 s ASP 106 CO 0.48 -0.03 2.12 0.50 -0.17 0.00 0.00 175.17 178.07 1gm0 h LYS 107 N 7.98 0.00 0.26 4.34 1.63 -1.99 -0.03 116.57 128.77 1gm0 h LYS 107 Ca -0.42 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.37 1gm0 h LYS 107 Cb 1.14 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.77 1gm0 h LYS 107 CO 0.59 0.05 -0.13 0.00 -3.45 0.00 0.00 179.45 176.52 1gm0 h ILE 109 N -0.46 0.87 0.69 0.00 2.04 -1.79 -1.28 117.51 117.58 1gm0 h ILE 109 Ca -0.04 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 1gm0 h ILE 109 Cb 0.27 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.61 1gm0 h ILE 109 CO 0.06 0.10 -0.44 -0.25 0.00 0.00 0.00 178.15 177.62 1gm0 h TRP 110 N 0.55 -1.18 -0.57 1.37 7.01 -1.01 -2.67 115.95 119.45 1gm0 h TRP 110 Ca 0.36 -0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.45 1gm0 h TRP 110 Cb 0.64 0.42 -0.03 0.00 -2.10 0.00 0.00 29.16 28.09 1gm0 h TRP 110 CO -0.00 -0.65 0.39 1.15 -2.79 0.00 0.00 178.44 176.54 1gm0 h THR 111 N -1.06 0.89 -0.18 2.65 2.02 -0.19 0.77 112.91 117.81 1gm0 h THR 111 Ca -0.09 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 66.93 1gm0 h THR 111 Cb 0.85 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1gm0 h THR 111 CO 0.08 0.07 -0.03 0.25 0.37 0.00 0.00 175.52 176.26 1gm0 h LEU 112 N 0.36 0.34 -0.28 2.58 7.12 -1.29 -0.37 115.31 123.78 1gm0 h LEU 112 Ca 0.26 -0.35 0.06 0.00 0.13 0.00 0.00 57.88 57.99 1gm0 h LEU 112 Cb 0.57 -0.09 -0.08 0.00 -0.53 0.00 0.00 40.66 40.52 1gm0 h LEU 112 CO -0.07 0.61 -0.38 1.23 -0.13 0.00 0.00 178.44 179.70 1gm0 h GLY 113 N 0.06 -0.49 0.23 3.75 0.00 -0.55 0.79 103.07 106.85 1gm0 h GLY 113 Ca 0.05 0.47 0.04 0.00 0.00 0.00 0.00 47.33 47.89 1gm0 h GLY 113 CO 0.02 -0.21 -0.34 -2.08 0.00 0.00 0.00 176.54 173.93 1gm0 h VAL 114 N -0.37 0.27 0.00 4.60 2.07 -1.05 -1.57 116.25 120.21 1gm0 h VAL 114 Ca 0.12 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.61 1gm0 h VAL 114 Cb 0.58 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1gm0 h VAL 114 CO -0.47 0.00 -0.16 0.00 0.02 0.00 0.00 177.57 176.96 1gm0 h ALA 115 N 0.27 1.23 -0.25 1.67 0.00 -0.72 -0.87 119.26 120.60 1gm0 h ALA 115 Ca 0.07 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 1gm0 h ALA 115 Cb 0.57 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1gm0 h ALA 115 CO -0.31 0.20 -0.54 1.15 0.00 0.00 0.00 179.25 179.75 1gm0 h THR 116 N 0.00 1.29 -0.47 0.00 2.02 -0.23 -2.77 112.91 112.76 1gm0 h THR 116 Ca -0.00 -1.75 0.00 0.00 0.77 0.00 0.00 66.41 65.43 1gm0 h THR 116 Cb 0.44 1.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 1gm0 h THR 116 CO 0.02 0.56 0.31 0.00 0.37 0.00 0.00 175.52 176.78 1gm0 h PHE 118 N 0.64 -1.20 -0.26 0.00 3.04 -0.95 -1.76 116.94 116.45 1gm0 h PHE 118 Ca 0.17 0.04 0.02 0.00 3.98 0.00 0.00 57.97 62.18 1gm0 h PHE 118 Cb -0.07 0.53 -0.01 0.00 2.56 0.00 0.00 35.95 38.95 1gm0 h PHE 118 CO -0.04 -0.43 0.17 -0.22 -2.02 0.00 0.00 178.31 175.77 1gm0 h LYS 119 N -0.49 0.27 -0.65 1.11 3.64 -1.52 0.10 116.57 119.04 1gm0 h LYS 119 Ca 0.01 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 1gm0 h LYS 119 Cb 0.53 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 1gm0 h LYS 119 CO -0.29 0.18 0.09 0.00 -2.27 0.00 0.00 179.45 177.16 1gm0 h ALA 120 N 1.85 0.87 -0.20 5.00 0.00 -1.22 -2.66 119.26 122.90 1gm0 h ALA 120 Ca 0.10 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.58 1gm0 h ALA 120 Cb 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1gm0 h ALA 120 CO -0.02 0.64 -0.53 0.93 0.00 0.00 0.00 179.25 180.27 1gm0 h GLU 121 N 1.00 0.59 -0.05 0.00 4.39 0.01 -2.07 114.58 118.45 1gm0 h GLU 121 Ca 0.20 -0.36 0.01 0.00 0.34 0.00 0.00 59.36 59.55 1gm0 h GLU 121 Cb 0.46 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1gm0 h GLU 121 CO 0.02 0.97 0.05 0.82 -1.16 0.00 0.00 179.01 179.71 1gm0 h ILE 122 N 0.46 0.58 0.00 3.13 2.04 -1.10 0.00 117.51 122.62 1gm0 h ILE 122 Ca 0.01 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.75 1gm0 h ILE 122 Cb 1.07 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 1gm0 h ILE 122 CO 0.10 0.00 -0.60 -0.74 0.00 0.00 0.00 178.15 176.91 1gm0 h HIS 123 N 0.00 0.00 0.00 1.37 2.76 -1.01 -2.77 115.15 115.50 1gm0 h HIS 123 Ca 0.02 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.06 1gm0 h HIS 123 Cb 0.13 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.07 1gm0 h HIS 123 CO 0.00 0.60 -0.65 0.87 -1.30 0.00 0.00 177.93 177.45 1gm0 h LYS 124 N 0.00 0.00 -7.26 5.26 1.57 -0.78 -3.47 116.57 111.89 1gm0 h LYS 124 Ca -0.01 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.25 1gm0 h LYS 124 Cb 1.19 0.00 0.16 0.00 0.08 0.00 0.00 32.23 33.66 1gm0 h LYS 124 CO 0.08 0.65 0.30 -0.51 -0.57 0.00 0.00 179.45 179.40 1gm0 s LEU 125 N -7.48 3.05 0.00 2.94 1.43 -0.36 -4.94 118.68 113.32 1gm0 s LEU 125 Ca -0.01 2.11 0.29 0.00 -1.03 0.00 0.00 54.13 55.49 1gm0 s LEU 125 Cb 0.12 -4.56 1.25 0.00 0.03 0.00 0.00 46.19 43.04 1gm0 s LEU 125 CO 0.77 -2.50 1.89 -3.20 0.23 0.00 0.00 176.35 173.54 1gm0 n ASN 126 N -3.55 0.28 -3.76 2.29 5.15 -1.26 -4.89 115.26 109.53 1gm0 n ASN 126 Ca 0.11 -0.29 -0.16 0.00 -0.60 0.00 0.00 54.58 53.64 1gm0 n ASN 126 Cb 0.52 -0.16 -0.09 0.00 -0.53 0.00 0.00 39.78 39.52 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 -2.61 1.50 -0.22 1.20 1.48 -1.26 -5.16 118.94 113.87 1gm0 s TRP 127 Ca 0.25 -1.53 -0.03 0.00 -1.06 0.00 0.00 56.10 53.74 1gm0 s TRP 127 Cb 0.20 -0.66 0.07 0.00 -1.16 0.00 0.00 33.47 31.92 1gm0 s TRP 127 CO 0.50 -0.75 0.06 0.00 -4.06 0.00 0.00 176.95 172.70 1gm0 s ALA 128 N -3.76 0.97 0.86 2.67 0.00 -1.26 -4.88 121.76 116.35 1gm0 s ALA 128 Ca 0.40 -0.84 -0.13 0.00 0.00 0.00 0.00 51.96 51.38 1gm0 s ALA 128 Cb 0.04 -1.25 0.04 0.00 0.00 0.00 0.00 23.12 21.95 1gm0 s ALA 128 CO 0.20 -1.30 0.71 -2.30 0.00 0.00 0.00 175.76 173.07 1gm0 n PRO 129 N 5.07 -0.05 -1.32 0.00 -0.02 -1.26 -4.99 135.00 132.44 1gm0 n PRO 129 Ca -0.07 0.05 -0.34 0.00 -2.02 0.00 0.00 63.50 61.11 1gm0 n PRO 129 Cb 0.46 -2.05 0.10 0.00 -0.02 0.00 0.00 33.50 32.00 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 -1.97 3.99 0.21 2.55 0.01 -1.26 -4.81 113.70 112.41 1gm0 s SER 130 Ca 0.64 2.37 -0.09 0.00 1.31 0.00 0.00 55.95 60.18 1gm0 s SER 130 Cb -0.27 -2.59 0.24 0.00 0.21 0.00 0.00 66.02 63.61 1gm0 s SER 130 CO 0.60 -2.40 1.81 0.24 0.41 0.00 0.00 173.24 173.90 1gm0 h MET 131 N -0.49 0.70 -0.90 12.44 2.86 -1.99 -1.03 114.93 126.51 1gm0 h MET 131 Ca -0.47 -0.04 0.18 0.00 -2.06 0.00 0.00 59.70 57.31 1gm0 h MET 131 Cb 1.30 -0.16 -0.11 0.00 0.06 0.00 0.00 31.60 32.69 1gm0 h MET 131 CO 0.49 0.46 0.47 -0.44 1.06 0.00 0.00 176.91 178.94 1gm0 h ASP 132 N 0.72 0.52 0.38 1.22 5.19 -1.97 0.11 116.42 122.59 1gm0 h ASP 132 Ca 0.30 0.12 -0.02 0.00 -0.62 0.00 0.00 57.03 56.81 1gm0 h ASP 132 Cb 0.17 0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.72 1gm0 h ASP 132 CO -0.17 0.15 -0.18 0.58 -3.12 0.00 0.00 179.24 176.50 1gm0 h VAL 133 N 0.58 0.00 0.00 -1.35 2.07 -1.58 -0.24 116.25 115.72 1gm0 h VAL 133 Ca 0.53 -0.56 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 1gm0 h VAL 133 Cb 0.87 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1gm0 h VAL 133 CO -0.43 0.00 -0.22 0.00 0.02 0.00 0.00 177.57 176.95 1gm0 h ALA 134 N -1.20 1.34 0.10 1.67 0.00 -0.81 0.10 119.26 120.45 1gm0 h ALA 134 Ca -0.05 -0.20 -0.31 0.00 0.00 0.00 0.00 54.91 54.35 1gm0 h ALA 134 Cb 0.39 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1gm0 h ALA 134 CO 0.09 0.27 -1.65 0.28 0.00 0.00 0.00 179.25 178.23 1gm0 h VAL 135 N 0.00 1.00 -0.31 0.00 2.07 -0.95 -3.33 116.25 114.73 1gm0 h VAL 135 Ca -0.00 -2.69 0.03 0.00 0.82 0.00 0.00 66.70 64.86 1gm0 h VAL 135 Cb 0.48 2.65 -0.03 0.00 -1.52 0.00 0.00 31.29 32.87 1gm0 h VAL 135 CO 0.03 0.78 0.12 1.23 0.02 0.00 0.00 177.57 179.75 1gm0 h GLY 136 N 1.88 0.40 0.45 2.17 0.00 0.34 -2.93 103.07 105.37 1gm0 h GLY 136 Ca -0.29 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 1gm0 h GLY 136 CO 0.13 0.05 -0.01 0.83 0.00 0.00 0.00 176.54 177.54 1gm0 h GLU 137 N 0.27 -0.03 -0.19 4.80 5.08 -1.22 -1.39 114.58 121.91 1gm0 h GLU 137 Ca 0.13 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1gm0 h GLU 137 Cb 0.08 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1gm0 h GLU 137 CO -0.12 0.51 0.11 0.97 -1.00 0.00 0.00 179.01 179.48 1gm0 h ILE 138 N -0.58 1.06 -0.15 3.13 2.10 -1.67 -0.79 117.51 120.60 1gm0 h ILE 138 Ca -0.00 -0.14 -0.22 0.00 1.08 0.00 0.00 64.86 65.58 1gm0 h ILE 138 Cb 0.55 0.79 0.01 0.00 -1.09 0.00 0.00 36.82 37.08 1gm0 h ILE 138 CO 0.00 0.06 -0.75 -0.07 -1.08 0.00 0.00 178.15 176.32 1gm0 h LEU 139 N 0.26 0.92 -1.72 2.19 3.38 -1.45 0.88 115.31 119.78 1gm0 h LEU 139 Ca 0.07 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.41 1gm0 h LEU 139 Cb -0.00 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.47 1gm0 h LEU 139 CO -0.01 1.40 0.12 0.00 0.09 0.00 0.00 178.44 180.04 1gm0 h ALA 140 N 0.55 1.10 0.00 1.53 0.00 0.00 -3.39 119.26 119.05 1gm0 h ALA 140 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1gm0 h ALA 140 Cb 1.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1gm0 h ALA 140 CO 0.15 -0.10 -0.18 0.39 0.00 0.00 0.00 179.25 179.51 1gm0 n GLU 141 N -2.48 0.00 0.00 0.00 1.02 -0.91 -0.41 120.64 117.85 1gm0 n GLU 141 Ca -0.02 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.18 1gm0 n GLU 141 Cb 0.16 -0.41 0.36 0.00 -0.02 0.00 0.00 31.44 31.53 1gm0 n GLU 141 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59