#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gm0 s GLN 2 N 0.00 1.93 -0.15 1.43 -1.52 -1.26 -5.07 119.66 115.03 1gm0 s GLN 2 Ca 0.00 -1.63 0.19 0.00 -1.95 0.00 0.00 55.36 51.97 1gm0 s GLN 2 Cb 0.00 -1.92 0.45 0.00 -0.22 0.00 0.00 33.01 31.32 1gm0 s GLN 2 CO 0.00 0.34 1.17 0.39 -0.25 0.00 0.00 175.29 176.94 1gm0 n GLU 3 N -0.74 1.25 -2.67 2.91 1.02 -1.26 -4.95 120.64 116.20 1gm0 n GLU 3 Ca -0.06 -2.94 -0.42 0.00 -0.02 0.00 0.00 57.16 53.73 1gm0 n GLU 3 Cb 0.60 -1.05 0.01 0.00 -0.02 0.00 0.00 31.44 30.98 1gm0 n GLU 3 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1gm0 n VAL 4 N -0.29 5.54 -1.28 2.62 0.31 -1.26 -4.38 118.33 119.59 1gm0 n VAL 4 Ca 0.14 -5.61 0.00 0.00 -0.01 0.00 0.00 64.34 58.86 1gm0 n VAL 4 Cb 0.94 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.97 1gm0 n VAL 4 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 1gm0 n MET 5 N 1.09 0.00 0.00 5.55 0.00 -1.26 -5.04 117.12 117.46 1gm0 n MET 5 Ca 0.40 -0.54 0.00 0.00 0.00 0.00 0.00 57.70 57.55 1gm0 n MET 5 Cb 0.30 -0.45 0.00 0.00 0.00 0.00 0.00 33.22 33.06 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 0.00 0.36 -0.80 3.17 5.02 -1.26 -5.02 118.16 119.62 1gm0 n LYS 6 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.96 1gm0 n LYS 6 Cb 0.54 0.00 0.12 0.00 -0.02 0.00 0.00 35.03 35.67 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 -1.33 -1.79 -2.83 4.39 0.23 -1.26 -4.53 115.26 108.14 1gm0 n ASN 7 Ca 0.00 0.35 -0.03 0.00 -0.53 0.00 0.00 54.58 54.37 1gm0 n ASN 7 Cb 0.00 -1.24 -0.02 0.00 -2.08 0.00 0.00 39.78 36.44 1gm0 n ASN 7 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 1gm0 n LEU 8 N -1.59 -5.60 -0.14 -4.53 -0.00 -1.26 -4.93 117.00 98.95 1gm0 n LEU 8 Ca 0.07 1.62 -0.11 0.00 -0.00 0.00 0.00 56.01 57.59 1gm0 n LEU 8 Cb 0.53 -2.54 -0.01 0.00 -0.00 0.00 0.00 43.42 41.40 1gm0 n LEU 8 CO 0.50 -3.37 0.69 -1.28 -0.00 0.00 0.00 177.39 173.94 1gm0 h SER 9 N 4.36 0.86 -3.88 1.96 0.87 -1.97 -3.44 113.55 112.31 1gm0 h SER 9 Ca -0.28 -0.38 -0.49 0.00 -1.23 0.00 0.00 61.79 59.41 1gm0 h SER 9 Cb 0.69 -0.24 0.20 0.00 -0.44 0.00 0.00 62.40 62.62 1gm0 h SER 9 CO 0.01 1.05 0.14 -0.76 -0.53 0.00 0.00 176.83 176.74 1gm0 s LEU 10 N -9.18 2.07 -0.90 2.23 1.43 -1.26 -4.95 118.68 108.13 1gm0 s LEU 10 Ca -0.12 1.96 0.01 0.00 -1.03 0.00 0.00 54.13 54.94 1gm0 s LEU 10 Cb 0.11 -4.15 0.32 0.00 0.03 0.00 0.00 46.19 42.50 1gm0 s LEU 10 CO 0.84 -3.56 1.53 -3.20 0.23 0.00 0.00 176.35 172.18 1gm0 n ASN 11 N -4.52 6.40 0.04 2.29 2.85 -1.20 -4.84 115.26 116.28 1gm0 n ASN 11 Ca 0.09 -3.67 -0.11 0.00 -0.11 0.00 0.00 54.58 50.78 1gm0 n ASN 11 Cb 0.53 -0.99 -0.04 0.00 1.24 0.00 0.00 39.78 40.51 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 3.94 -0.31 -0.84 1.20 -1.00 -1.92 -2.79 116.94 115.22 1gm0 h PHE 12 Ca 0.39 0.01 0.17 0.00 2.81 0.00 0.00 57.97 61.36 1gm0 h PHE 12 Cb 0.40 0.14 -0.16 0.00 3.61 0.00 0.00 35.95 39.94 1gm0 h PHE 12 CO 1.16 -0.18 -0.20 0.78 -1.61 0.00 0.00 178.31 178.26 1gm0 h GLY 13 N -0.19 0.63 0.87 -1.45 0.00 -1.93 0.22 103.07 101.21 1gm0 h GLY 13 Ca 0.05 0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.62 1gm0 h GLY 13 CO -0.14 -0.32 0.03 0.50 0.00 0.00 0.00 176.54 176.61 1gm0 h LYS 14 N 0.00 0.44 -0.36 4.80 1.79 -1.90 0.61 116.57 121.95 1gm0 h LYS 14 Ca 0.41 -0.12 -0.07 0.00 -2.18 0.00 0.00 60.65 58.69 1gm0 h LYS 14 Cb 0.63 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.22 1gm0 h LYS 14 CO -0.86 0.57 -0.04 0.00 -1.08 0.00 0.00 179.45 178.04 1gm0 h ALA 15 N 0.85 0.49 -0.66 3.86 0.00 -1.22 -2.90 119.26 119.68 1gm0 h ALA 15 Ca 0.08 -0.27 0.11 0.00 0.00 0.00 0.00 54.91 54.82 1gm0 h ALA 15 Cb 0.35 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 1gm0 h ALA 15 CO 0.01 0.30 0.25 -0.07 0.00 0.00 0.00 179.25 179.74 1gm0 h LEU 16 N 0.46 0.25 -2.03 0.00 3.38 -0.50 0.60 115.31 117.47 1gm0 h LEU 16 Ca 0.10 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1gm0 h LEU 16 Cb 0.52 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1gm0 h LEU 16 CO 0.03 0.14 0.00 -0.78 0.09 0.00 0.00 178.44 177.91 1gm0 h ASP 17 N 0.43 0.00 0.03 -0.43 3.58 -0.67 0.15 116.42 119.52 1gm0 h ASP 17 Ca 0.34 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.46 1gm0 h ASP 17 Cb 0.44 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.45 1gm0 h ASP 17 CO -0.33 0.00 -1.83 -0.62 -2.88 0.00 0.00 179.24 173.58 1gm0 n GLU 18 N -2.93 0.63 -0.28 0.28 1.02 -0.65 -4.19 120.64 114.52 1gm0 n GLU 18 Ca -0.01 0.39 0.02 0.00 -0.02 0.00 0.00 57.16 57.54 1gm0 n GLU 18 Cb 0.18 -1.66 0.15 0.00 -0.02 0.00 0.00 31.44 30.08 1gm0 n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1gm0 h LYS 20 N 0.76 0.00 0.08 0.00 5.09 -0.92 -1.47 116.57 120.10 1gm0 h LYS 20 Ca 0.38 0.00 -0.25 0.00 0.09 0.00 0.00 60.65 60.86 1gm0 h LYS 20 Cb 0.33 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.65 1gm0 h LYS 20 CO -0.24 0.03 -1.32 0.87 -2.09 0.00 0.00 179.45 176.70 1gm0 h LYS 21 N 0.00 0.17 -0.31 0.07 1.57 -1.00 -0.86 116.57 116.21 1gm0 h LYS 21 Ca -0.00 -0.29 0.07 0.00 -1.87 0.00 0.00 60.65 58.56 1gm0 h LYS 21 Cb 0.09 0.11 -0.07 0.00 0.08 0.00 0.00 32.23 32.43 1gm0 h LYS 21 CO 0.00 1.14 -0.13 0.93 -0.57 0.00 0.00 179.45 180.82 1gm0 h GLU 22 N -0.49 -0.08 -0.02 3.15 5.08 -0.67 -2.36 114.58 119.20 1gm0 h GLU 22 Ca -0.30 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1gm0 h GLU 22 Cb 1.62 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.88 1gm0 h GLU 22 CO -0.01 -0.05 -0.37 -1.33 -1.00 0.00 0.00 179.01 176.25 1gm0 n MET 23 N -5.31 1.38 -3.66 2.33 2.81 -0.59 -4.98 117.12 109.10 1gm0 n MET 23 Ca 0.00 -1.12 -0.27 0.00 -1.81 0.00 0.00 57.70 54.51 1gm0 n MET 23 Cb 0.23 -1.48 0.04 0.00 -0.71 0.00 0.00 33.22 31.30 1gm0 n MET 23 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1gm0 n THR 24 N 0.17 -5.73 -1.97 2.03 -1.04 -0.89 -5.02 114.28 101.83 1gm0 n THR 24 Ca 0.10 -0.88 -0.29 0.00 -2.04 0.00 0.00 64.05 60.95 1gm0 n THR 24 Cb 0.48 -4.34 0.14 0.00 -1.82 0.00 0.00 70.33 64.79 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 -6.42 2.66 0.90 -4.42 1.43 -0.36 -5.00 118.68 107.47 1gm0 s LEU 25 Ca 0.33 0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 53.72 1gm0 s LEU 25 Cb -0.10 -2.65 0.13 0.00 0.03 0.00 0.00 46.19 43.59 1gm0 s LEU 25 CO 0.84 -2.35 1.13 0.42 0.23 0.00 0.00 176.35 176.61 1gm0 s THR 26 N -3.71 2.19 -0.30 5.49 -4.23 -1.26 -4.81 115.64 109.01 1gm0 s THR 26 Ca 0.69 0.06 0.22 0.00 -1.18 0.00 0.00 61.69 61.48 1gm0 s THR 26 Cb -0.07 -2.78 0.13 0.00 1.34 0.00 0.00 72.50 71.12 1gm0 s THR 26 CO 0.51 -0.08 1.28 -0.78 -0.54 0.00 0.00 174.62 175.00 1gm0 h ASP 27 N -1.47 0.00 -0.90 3.99 3.58 -1.98 -3.36 116.42 116.29 1gm0 h ASP 27 Ca -0.50 0.00 0.16 0.00 0.42 0.00 0.00 57.03 57.10 1gm0 h ASP 27 Cb 1.32 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.30 1gm0 h ASP 27 CO 0.61 0.09 0.58 0.00 -2.88 0.00 0.00 179.24 177.64 1gm0 h ALA 28 N 1.91 1.87 -0.20 -0.78 0.00 -2.03 -1.33 119.26 118.72 1gm0 h ALA 28 Ca -0.01 0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.98 1gm0 h ALA 28 Cb 1.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1gm0 h ALA 28 CO 0.01 -0.13 0.41 -0.84 0.00 0.00 0.00 179.25 178.69 1gm0 h ILE 29 N 0.66 0.17 -1.00 0.00 -0.00 -1.95 -0.86 117.51 114.52 1gm0 h ILE 29 Ca 0.46 0.00 0.21 0.00 -0.00 0.00 0.00 64.86 65.53 1gm0 h ILE 29 Cb 0.80 0.64 -0.11 0.00 -0.00 0.00 0.00 36.82 38.14 1gm0 h ILE 29 CO -0.22 0.00 0.61 -1.13 -0.00 0.00 0.00 178.15 177.41 1gm0 h ASN 30 N 0.00 0.75 0.00 2.16 -0.73 -1.51 -0.38 115.58 115.87 1gm0 h ASN 30 Ca 0.09 0.11 -0.12 0.00 1.87 0.00 0.00 56.30 58.25 1gm0 h ASN 30 Cb 0.91 -0.02 -0.02 0.00 0.27 0.00 0.00 38.32 39.45 1gm0 h ASN 30 CO -0.00 0.23 -1.58 -0.62 -0.37 0.00 0.00 177.43 175.09 1gm0 n GLU 31 N -4.79 1.90 0.01 6.67 -0.58 -1.03 -4.55 120.64 118.26 1gm0 n GLU 31 Ca 0.24 -0.03 0.03 0.00 -0.42 0.00 0.00 57.16 56.99 1gm0 n GLU 31 Cb 0.62 -1.23 0.40 0.00 -0.57 0.00 0.00 31.44 30.66 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 0.00 0.46 0.22 1.62 3.58 -0.82 0.11 116.42 121.59 1gm0 h ASP 32 Ca -0.18 -0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.23 1gm0 h ASP 32 Cb 1.25 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.19 1gm0 h ASP 32 CO 0.01 0.38 -0.11 0.15 -2.88 0.00 0.00 179.24 176.79 1gm0 h PHE 33 N 0.53 -0.28 -0.60 0.28 3.04 -1.33 -3.06 116.94 115.52 1gm0 h PHE 33 Ca 0.14 -0.01 -0.07 0.00 3.98 0.00 0.00 57.97 62.01 1gm0 h PHE 33 Cb 0.02 0.09 -0.03 0.00 2.56 0.00 0.00 35.95 38.60 1gm0 h PHE 33 CO 0.00 -0.07 0.11 1.88 -2.02 0.00 0.00 178.31 178.22 1gm0 h TYR 34 N -0.44 1.00 -0.44 0.41 -1.99 -1.47 -2.51 116.97 111.53 1gm0 h TYR 34 Ca -0.03 -0.12 0.04 0.00 2.00 0.00 0.00 58.73 60.63 1gm0 h TYR 34 Cb 0.34 -0.28 -0.02 0.00 2.00 0.00 0.00 36.73 38.76 1gm0 h TYR 34 CO -0.02 0.85 0.30 -0.91 -0.00 0.00 0.00 178.16 178.37 1gm0 h ASN 35 N 0.91 0.37 -0.18 3.88 -0.26 -0.83 -2.26 115.58 117.20 1gm0 h ASN 35 Ca 0.19 -0.00 0.03 0.00 -0.56 0.00 0.00 56.30 55.95 1gm0 h ASN 35 Cb 0.37 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.54 1gm0 h ASN 35 CO 0.01 0.25 0.12 0.15 -1.06 0.00 0.00 177.43 176.90 1gm0 h PHE 36 N 0.43 0.13 -0.09 1.19 3.57 -1.34 -1.83 116.94 118.99 1gm0 h PHE 36 Ca 0.19 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.62 1gm0 h PHE 36 Cb 0.21 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1gm0 h PHE 36 CO -0.00 0.08 -0.25 -1.49 -2.23 0.00 0.00 178.31 174.41 1gm0 h TRP 37 N 0.13 0.17 -4.08 0.41 6.55 -1.55 -3.45 115.95 114.14 1gm0 h TRP 37 Ca 0.08 -0.03 -0.45 0.00 0.95 0.00 0.00 58.89 59.44 1gm0 h TRP 37 Cb 0.14 -0.05 0.15 0.00 -0.86 0.00 0.00 29.16 28.55 1gm0 h TRP 37 CO -0.00 0.40 0.28 0.15 -1.05 0.00 0.00 178.44 178.23 1gm0 s LYS 38 N -4.47 0.66 0.10 0.49 1.02 -0.69 -5.06 119.74 111.80 1gm0 s LYS 38 Ca -0.04 0.15 0.07 0.00 0.02 0.00 0.00 55.97 56.17 1gm0 s LYS 38 Cb 0.15 -1.80 -0.04 0.00 -0.52 0.00 0.00 37.83 35.62 1gm0 s LYS 38 CO 0.74 -2.49 -0.12 -1.21 -0.92 0.00 0.00 175.35 171.35 1gm0 s GLU 39 N -5.37 2.09 -0.75 1.68 2.02 -1.26 -3.95 118.70 113.16 1gm0 s GLU 39 Ca 0.66 -1.03 0.00 0.00 0.02 0.00 0.00 54.97 54.62 1gm0 s GLU 39 Cb -0.13 -2.28 0.00 0.00 0.10 0.00 0.00 34.13 31.83 1gm0 s GLU 39 CO 0.54 0.51 0.00 0.41 0.02 0.00 0.00 175.26 176.74 1gm0 n GLY 40 N 0.82 0.88 3.16 -1.39 0.00 -1.26 -5.00 105.19 102.39 1gm0 n GLY 40 Ca -0.14 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.12 1gm0 n GLY 40 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gm0 s TYR 41 N -2.10 3.50 -1.24 1.61 2.02 -1.25 -4.99 117.35 114.89 1gm0 s TYR 41 Ca 0.00 -2.29 -0.20 0.00 -0.37 0.00 0.00 57.07 54.21 1gm0 s TYR 41 Cb 0.00 -3.36 -0.01 0.00 -0.40 0.00 0.00 41.96 38.20 1gm0 s TYR 41 CO 0.00 -0.94 1.83 -1.21 -1.57 0.00 0.00 175.55 173.66 1gm0 s GLU 42 N 0.79 3.26 -0.93 -0.62 8.01 -1.26 -4.84 118.70 123.11 1gm0 s GLU 42 Ca 0.11 -1.59 -0.20 0.00 0.01 0.00 0.00 54.97 53.30 1gm0 s GLU 42 Cb -0.22 -5.40 0.11 0.00 -4.31 0.00 0.00 34.13 24.31 1gm0 s GLU 42 CO -0.03 -3.10 1.18 0.42 0.01 0.00 0.00 175.26 173.74 1gm0 s ILE 43 N 7.54 4.52 -0.24 -1.63 -1.09 -1.26 -4.81 121.20 124.23 1gm0 s ILE 43 Ca 0.61 -1.30 0.10 0.00 -2.23 0.00 0.00 60.65 57.82 1gm0 s ILE 43 Cb 0.02 -4.83 0.44 0.00 -1.58 0.00 0.00 42.46 36.50 1gm0 s ILE 43 CO 0.10 -1.60 1.20 0.29 -1.23 0.00 0.00 174.94 173.71 1gm0 n LYS 44 N 7.14 2.43 -1.63 2.79 4.76 -1.26 -4.95 118.16 127.44 1gm0 n LYS 44 Ca 0.24 -3.66 -0.21 0.00 -2.87 0.00 0.00 58.31 51.81 1gm0 n LYS 44 Cb 0.49 -1.87 0.13 0.00 -1.84 0.00 0.00 35.03 31.95 1gm0 n LYS 44 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1gm0 n ASN 45 N -0.91 0.36 -0.07 4.39 5.15 -1.26 -5.06 115.26 117.86 1gm0 n ASN 45 Ca 0.29 -1.51 -0.22 0.00 -0.60 0.00 0.00 54.58 52.54 1gm0 n ASN 45 Cb 0.82 -0.68 -0.12 0.00 -0.53 0.00 0.00 39.78 39.27 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 -2.90 0.66 0.27 1.20 1.74 -1.26 -4.42 116.66 111.96 1gm0 n ARG 46 Ca 0.12 0.34 0.12 0.00 -0.77 0.00 0.00 57.85 57.67 1gm0 n ARG 46 Cb 0.44 -1.66 0.78 0.00 -1.02 0.00 0.00 32.46 30.99 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 -0.42 0.00 0.45 5.56 4.39 -1.97 -2.45 114.58 120.14 1gm0 h GLU 47 Ca -0.46 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.23 1gm0 h GLU 47 Cb 1.73 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.36 1gm0 h GLU 47 CO -0.10 0.06 -0.40 1.15 -1.16 0.00 0.00 179.01 178.56 1gm0 h THR 48 N 0.00 0.19 -0.67 1.13 2.02 -1.95 -0.02 112.91 113.61 1gm0 h THR 48 Ca -0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 1gm0 h THR 48 Cb 0.15 0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 66.71 1gm0 h THR 48 CO 0.01 0.00 0.44 1.23 0.37 0.00 0.00 175.52 177.57 1gm0 h GLY 49 N -0.85 0.88 0.97 2.16 0.00 -1.62 -0.47 103.07 104.13 1gm0 h GLY 49 Ca -0.04 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 1gm0 h GLY 49 CO -0.04 0.22 0.14 0.00 0.00 0.00 0.00 176.54 176.87 1gm0 h ALA 51 N 1.05 0.29 -0.25 0.00 0.00 -0.22 -1.41 119.26 118.72 1gm0 h ALA 51 Ca 0.08 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.90 1gm0 h ALA 51 Cb 0.02 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.65 1gm0 h ALA 51 CO -0.02 -0.06 -0.32 0.82 0.00 0.00 0.00 179.25 179.68 1gm0 h ILE 52 N 0.18 0.26 -0.94 0.00 2.04 -0.96 0.16 117.51 118.26 1gm0 h ILE 52 Ca 0.07 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.03 1gm0 h ILE 52 Cb 0.28 0.26 -0.07 0.00 -0.74 0.00 0.00 36.82 36.55 1gm0 h ILE 52 CO 0.00 0.00 0.60 -0.03 0.00 0.00 0.00 178.15 178.73 1gm0 h MET 53 N -0.33 0.94 -0.06 2.37 4.05 -0.84 0.43 114.93 121.48 1gm0 h MET 53 Ca 0.13 -0.06 -0.20 0.00 -0.28 0.00 0.00 59.70 59.30 1gm0 h MET 53 Cb 0.54 -0.21 0.01 0.00 -0.80 0.00 0.00 31.60 31.14 1gm0 h MET 53 CO -0.43 0.62 -0.73 0.00 0.23 0.00 0.00 176.91 176.60 1gm0 h LEU 55 N 0.23 0.00 -1.35 0.00 4.07 -0.26 0.53 115.31 118.53 1gm0 h LEU 55 Ca -0.07 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.89 1gm0 h LEU 55 Cb 1.39 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.13 1gm0 h LEU 55 CO 0.15 0.03 0.00 -1.54 -1.08 0.00 0.00 178.44 176.00 1gm0 n SER 56 N -3.22 0.54 -0.86 -0.43 3.41 0.10 -1.86 113.62 111.29 1gm0 n SER 56 Ca -0.01 0.75 0.05 0.00 -0.26 0.00 0.00 58.87 59.40 1gm0 n SER 56 Cb 0.21 -0.82 0.13 0.00 -0.26 0.00 0.00 64.21 63.47 1gm0 n SER 56 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1gm0 n THR 57 N -2.22 1.34 -1.44 6.66 5.66 0.16 -4.59 114.28 119.86 1gm0 n THR 57 Ca -0.01 -2.27 0.06 0.00 -3.05 0.00 0.00 64.05 58.77 1gm0 n THR 57 Cb 0.04 0.21 0.08 0.00 -1.55 0.00 0.00 70.33 69.11 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 -0.54 0.76 -0.15 1.09 4.76 -0.78 -4.89 118.16 118.41 1gm0 n LYS 58 Ca 0.14 -1.88 0.14 0.00 -2.87 0.00 0.00 58.31 53.83 1gm0 n LYS 58 Cb 0.84 -1.06 0.49 0.00 -1.84 0.00 0.00 35.03 33.46 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 0.41 -2.05 -0.35 3.38 -1.81 0.14 115.31 115.03 1gm0 h LEU 59 Ca 0.00 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1gm0 h LEU 59 Cb 1.16 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 1gm0 h LEU 59 CO 0.00 0.23 0.08 -0.55 0.09 0.00 0.00 178.44 178.29 1gm0 h ASN 60 N 0.45 0.00 0.43 -0.43 -1.07 -1.86 0.39 115.58 113.49 1gm0 h ASN 60 Ca 0.34 0.00 -0.31 0.00 0.07 0.00 0.00 56.30 56.41 1gm0 h ASN 60 Cb 0.72 0.00 0.02 0.00 -2.07 0.00 0.00 38.32 36.99 1gm0 h ASN 60 CO -0.11 0.00 -1.41 0.24 0.07 0.00 0.00 177.43 176.22 1gm0 h MET 61 N 0.00 0.38 0.05 4.14 2.86 -1.12 -3.39 114.93 117.85 1gm0 h MET 61 Ca 0.05 -0.65 -0.16 0.00 -2.06 0.00 0.00 59.70 56.88 1gm0 h MET 61 Cb 0.21 0.24 0.02 0.00 0.06 0.00 0.00 31.60 32.13 1gm0 h MET 61 CO -0.00 1.30 -0.65 -0.07 1.06 0.00 0.00 176.91 178.55 1gm0 h LEU 62 N 0.10 0.48 -7.95 1.22 3.38 -1.08 -3.42 115.31 108.05 1gm0 h LEU 62 Ca -0.21 -0.83 -0.70 0.00 0.09 0.00 0.00 57.88 56.23 1gm0 h LEU 62 Cb 2.07 -0.15 -0.32 0.00 0.09 0.00 0.00 40.66 42.35 1gm0 h LEU 62 CO 0.22 1.26 -0.54 -0.62 0.09 0.00 0.00 178.44 178.86 1gm0 s ASP 63 N -6.79 5.34 0.19 -0.43 -1.08 0.06 -3.24 116.67 110.72 1gm0 s ASP 63 Ca -0.14 -1.75 -0.00 0.00 -0.52 0.00 0.00 52.55 50.14 1gm0 s ASP 63 Cb 0.02 -1.87 0.11 0.00 -1.46 0.00 0.00 42.92 39.73 1gm0 s ASP 63 CO 0.82 -0.51 1.48 1.55 0.52 0.00 0.00 175.17 179.03 1gm0 h PRO 64 N 8.17 0.39 0.00 4.34 0.13 -1.81 -2.44 132.00 140.78 1gm0 h PRO 64 Ca -0.18 -0.29 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1gm0 h PRO 64 Cb 1.06 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 1gm0 h PRO 64 CO 0.70 0.92 -0.12 0.93 -0.23 0.00 0.00 178.00 180.20 1gm0 h GLU 65 N 0.28 0.00 -5.32 0.86 5.08 -1.93 -3.47 114.58 110.07 1gm0 h GLU 65 Ca -0.02 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.05 1gm0 h GLU 65 Cb 1.22 0.00 0.16 0.00 0.50 0.00 0.00 28.75 30.63 1gm0 h GLU 65 CO 0.11 0.12 -0.71 0.41 -1.00 0.00 0.00 179.01 177.94 1gm0 n GLY 66 N -0.69 -0.37 0.13 -3.84 0.00 -0.92 -4.96 105.19 94.55 1gm0 n GLY 66 Ca -0.02 0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.65 0.47 -2.49 1.61 2.35 -1.91 -3.45 115.58 110.52 1gm0 h ASN 67 Ca -0.54 -0.90 -0.57 0.00 -0.55 0.00 0.00 56.30 53.74 1gm0 h ASN 67 Cb 1.31 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.51 1gm0 h ASN 67 CO 0.45 1.73 1.27 -0.22 -1.65 0.00 0.00 177.43 179.02 1gm0 s LEU 68 N -7.36 3.76 0.40 1.61 2.96 -1.26 -4.56 118.68 114.23 1gm0 s LEU 68 Ca -0.19 1.76 0.08 0.00 -0.22 0.00 0.00 54.13 55.56 1gm0 s LEU 68 Cb 0.05 -3.52 -0.07 0.00 0.50 0.00 0.00 46.19 43.15 1gm0 s LEU 68 CO 0.80 -1.52 0.05 -1.00 -1.32 0.00 0.00 176.35 173.36 1gm0 s HIS 69 N 6.30 2.54 -0.15 5.38 3.76 -0.53 -4.78 115.29 127.80 1gm0 s HIS 69 Ca 0.83 -0.60 -0.29 0.00 -0.15 0.00 0.00 55.06 54.85 1gm0 s HIS 69 Cb -0.29 -1.76 -0.01 0.00 1.11 0.00 0.00 32.58 31.63 1gm0 s HIS 69 CO 0.34 0.39 1.14 -1.58 -0.85 0.00 0.00 174.74 174.17 1gm0 s HIS 70 N -2.64 3.18 0.00 1.40 2.46 -1.26 -1.84 115.29 116.59 1gm0 s HIS 70 Ca 0.37 1.29 0.00 0.00 0.47 0.00 0.00 55.06 57.18 1gm0 s HIS 70 Cb 0.06 -3.36 0.00 0.00 -0.13 0.00 0.00 32.58 29.15 1gm0 s HIS 70 CO 0.19 -1.01 0.00 0.41 -2.47 0.00 0.00 174.74 171.86 1gm0 n GLY 71 N 3.38 0.81 2.70 1.59 0.00 0.13 -4.96 105.19 108.84 1gm0 n GLY 71 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 1gm0 n GLY 71 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1gm0 s ASN 72 N -2.63 -0.32 -0.03 1.61 2.47 -0.76 -4.94 114.94 110.33 1gm0 s ASN 72 Ca 0.00 -1.99 0.18 0.00 0.42 0.00 0.00 52.86 51.47 1gm0 s ASN 72 Cb 0.00 1.09 0.57 0.00 -1.45 0.00 0.00 41.25 41.46 1gm0 s ASN 72 CO 0.00 -0.12 1.47 0.00 -3.72 0.00 0.00 177.10 174.73 1gm0 n ALA 73 N 3.24 2.61 -0.10 1.71 0.00 -1.26 -1.46 120.51 125.26 1gm0 n ALA 73 Ca 0.20 -1.18 -0.04 0.00 0.00 0.00 0.00 53.44 52.41 1gm0 n ALA 73 Cb 0.52 -0.98 0.16 0.00 0.00 0.00 0.00 19.45 19.16 1gm0 n ALA 73 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1gm0 h MET 74 N 3.60 0.77 -0.06 0.00 2.86 -1.92 0.23 114.93 120.41 1gm0 h MET 74 Ca 0.00 -0.21 -0.05 0.00 -2.06 0.00 0.00 59.70 57.38 1gm0 h MET 74 Cb 0.99 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.56 1gm0 h MET 74 CO 0.07 0.79 -0.14 0.93 1.06 0.00 0.00 176.91 179.62 1gm0 h GLU 75 N 0.71 0.20 -0.75 1.72 4.39 -1.86 -2.69 114.58 116.30 1gm0 h GLU 75 Ca 0.14 -0.14 0.02 0.00 0.34 0.00 0.00 59.36 59.72 1gm0 h GLU 75 Cb 0.47 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.10 1gm0 h GLU 75 CO 0.02 0.74 0.49 0.35 -1.16 0.00 0.00 179.01 179.46 1gm0 h PHE 76 N -0.32 0.93 -0.32 4.33 3.57 -1.52 -1.24 116.94 122.37 1gm0 h PHE 76 Ca -0.00 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.56 1gm0 h PHE 76 Cb 0.75 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.14 1gm0 h PHE 76 CO 0.12 0.56 0.11 0.00 -2.23 0.00 0.00 178.31 176.88 1gm0 h ALA 77 N 1.29 0.37 0.00 2.41 0.00 -0.68 -2.72 119.26 119.93 1gm0 h ALA 77 Ca 0.29 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1gm0 h ALA 77 Cb -0.07 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1gm0 h ALA 77 CO -0.08 -0.29 -0.13 0.87 0.00 0.00 0.00 179.25 179.62 1gm0 h LYS 78 N 0.25 0.00 0.00 0.00 1.57 -0.19 0.86 116.57 119.05 1gm0 h LYS 78 Ca 0.14 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1gm0 h LYS 78 Cb 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1gm0 h LYS 78 CO -0.15 0.13 -0.00 0.87 -0.57 0.00 0.00 179.45 179.73 1gm0 h LYS 79 N 0.00 0.00 -0.31 3.15 1.57 -1.02 -1.37 116.57 118.58 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 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1gm0 h LYS 79 CO 0.02 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.62 1gm0 n HIS 80 N -3.10 0.72 -0.40 -1.35 8.25 0.24 -4.98 115.22 114.61 1gm0 n HIS 80 Ca -0.02 -0.68 0.00 0.00 -0.26 0.00 0.00 57.72 56.76 1gm0 n HIS 80 Cb 0.13 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.08 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 0.05 2.13 3.56 -1.41 0.00 -0.52 -4.86 105.19 104.15 1gm0 n GLY 81 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.34 2.41 1.05 4.61 0.00 -0.86 -4.92 121.76 120.72 1gm0 s ALA 82 Ca 0.00 -0.65 -0.12 0.00 0.00 0.00 0.00 51.96 51.19 1gm0 s ALA 82 Cb 0.00 -4.24 0.17 0.00 0.00 0.00 0.00 23.12 19.05 1gm0 s ALA 82 CO 0.00 -3.55 0.85 -0.40 0.00 0.00 0.00 175.76 172.67 1gm0 n ASP 83 N 11.60 -0.47 -0.33 0.00 5.68 -1.26 -1.54 116.55 130.23 1gm0 n ASP 83 Ca 0.17 -1.21 0.02 0.00 -0.50 0.00 0.00 54.79 53.27 1gm0 n ASP 83 Cb 0.51 -0.69 0.19 0.00 -1.14 0.00 0.00 41.12 39.99 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 1.13 -0.37 0.11 4.81 -1.95 0.11 114.58 118.43 1gm0 h GLU 84 Ca -0.29 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 58.80 1gm0 h GLU 84 Cb 0.82 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1gm0 h GLU 84 CO 0.20 0.75 -0.05 1.15 -0.73 0.00 0.00 179.01 180.32 1gm0 h THR 85 N 1.16 1.27 -0.18 0.32 2.02 -1.98 0.12 112.91 115.64 1gm0 h THR 85 Ca 0.38 -1.09 -0.00 0.00 0.77 0.00 0.00 66.41 66.46 1gm0 h THR 85 Cb 0.05 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1gm0 h THR 85 CO -0.12 0.36 0.10 0.24 0.37 0.00 0.00 175.52 176.47 1gm0 h MET 86 N 0.49 0.25 0.21 6.66 2.86 -1.65 0.55 114.93 124.31 1gm0 h MET 86 Ca 0.10 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1gm0 h MET 86 Cb 0.54 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.15 1gm0 h MET 86 CO 0.03 0.24 -0.12 0.00 1.06 0.00 0.00 176.91 178.12 1gm0 h ALA 87 N 1.00 -0.31 -0.98 6.32 0.00 -0.80 -2.90 119.26 121.60 1gm0 h ALA 87 Ca 0.06 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1gm0 h ALA 87 Cb 0.06 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 1gm0 h ALA 87 CO -0.01 -0.68 0.63 0.37 0.00 0.00 0.00 179.25 179.56 1gm0 h GLN 88 N -0.32 1.08 -0.70 0.00 5.75 -0.53 0.11 115.11 120.51 1gm0 h GLN 88 Ca -0.02 -0.06 0.09 0.00 -0.15 0.00 0.00 58.65 58.50 1gm0 h GLN 88 Cb 0.26 -0.24 -0.07 0.00 1.07 0.00 0.00 27.48 28.49 1gm0 h GLN 88 CO 0.03 0.71 0.34 1.96 -2.65 0.00 0.00 178.83 179.23 1gm0 h GLN 89 N 1.11 0.57 0.05 1.69 1.08 -0.80 -1.45 115.11 117.36 1gm0 h GLN 89 Ca 0.43 -0.03 -0.25 0.00 -1.45 0.00 0.00 58.65 57.35 1gm0 h GLN 89 Cb 0.22 -0.13 0.02 0.00 -0.05 0.00 0.00 27.48 27.54 1gm0 h GLN 89 CO -0.18 0.38 -1.00 -0.07 -0.95 0.00 0.00 178.83 177.01 1gm0 h LEU 90 N 0.59 0.79 -1.01 1.46 3.38 -0.84 -3.18 115.31 116.50 1gm0 h LEU 90 Ca 0.34 -0.79 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 1gm0 h LEU 90 Cb 0.36 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1gm0 h LEU 90 CO -0.27 1.49 0.32 0.40 0.09 0.00 0.00 178.44 180.47 1gm0 h ILE 91 N 0.19 1.23 -0.19 1.22 2.04 -0.70 0.33 117.51 121.64 1gm0 h ILE 91 Ca -0.14 -0.68 0.01 0.00 1.00 0.00 0.00 64.86 65.04 1gm0 h ILE 91 Cb 1.69 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 1gm0 h ILE 91 CO 0.19 0.28 0.11 -0.78 0.00 0.00 0.00 178.15 177.96 1gm0 h ASP 92 N 1.02 0.18 -0.44 1.72 3.58 -1.37 -2.82 116.42 118.28 1gm0 h ASP 92 Ca 0.25 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.72 1gm0 h ASP 92 Cb 0.14 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.12 1gm0 h ASP 92 CO -0.03 0.13 0.25 0.40 -2.88 0.00 0.00 179.24 177.12 1gm0 h ILE 93 N 0.23 1.03 -0.27 2.25 2.04 -1.32 0.21 117.51 121.68 1gm0 h ILE 93 Ca 0.07 -0.18 0.06 0.00 1.00 0.00 0.00 64.86 65.82 1gm0 h ILE 93 Cb -0.01 0.48 -0.06 0.00 -0.74 0.00 0.00 36.82 36.49 1gm0 h ILE 93 CO -0.03 0.09 -0.12 0.58 0.00 0.00 0.00 178.15 178.67 1gm0 h VAL 94 N 0.51 0.61 0.00 1.67 2.07 -0.84 0.21 116.25 120.48 1gm0 h VAL 94 Ca 0.18 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.66 1gm0 h VAL 94 Cb 0.03 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1gm0 h VAL 94 CO -0.09 0.00 -0.21 0.45 0.02 0.00 0.00 177.57 177.74 1gm0 h HIS 95 N -0.08 0.00 -0.02 1.57 3.86 -1.23 -0.21 115.15 119.04 1gm0 h HIS 95 Ca 0.14 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.23 1gm0 h HIS 95 Cb 0.30 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.75 1gm0 h HIS 95 CO -0.31 0.21 -0.56 0.78 0.86 0.00 0.00 177.93 178.91 1gm0 h GLY 96 N 2.71 0.07 1.43 2.45 0.00 0.08 -3.25 103.07 106.55 1gm0 h GLY 96 Ca -0.00 -0.08 -0.17 0.00 0.00 0.00 0.00 47.33 47.08 1gm0 h GLY 96 CO 0.03 0.07 -1.12 0.00 0.00 0.00 0.00 176.54 175.52 1gm0 h GLU 98 N 0.00 0.86 0.02 0.00 5.08 -1.13 -2.22 114.58 117.19 1gm0 h GLU 98 Ca -0.11 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1gm0 h GLU 98 Cb 1.60 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1gm0 h GLU 98 CO 0.07 0.57 -0.01 0.87 -1.00 0.00 0.00 179.01 179.51 1gm0 h LYS 99 N 0.88 -0.03 -0.78 2.33 1.57 -1.64 -3.35 116.57 115.56 1gm0 h LYS 99 Ca 0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 1gm0 h LYS 99 Cb 0.42 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.70 1gm0 h LYS 99 CO -0.26 0.72 0.49 0.66 -0.57 0.00 0.00 179.45 180.49 1gm0 h SER 100 N -0.85 0.92 -2.46 0.86 4.64 -1.46 -3.40 113.55 111.81 1gm0 h SER 100 Ca -0.00 -0.05 -0.53 0.00 -0.47 0.00 0.00 61.79 60.74 1gm0 h SER 100 Cb 0.76 -0.23 0.03 0.00 -0.31 0.00 0.00 62.40 62.65 1gm0 h SER 100 CO 0.00 0.70 1.16 0.41 -0.87 0.00 0.00 176.83 178.23 1gm0 n THR 101 N -4.50 0.50 -1.92 2.95 -1.04 -0.84 -4.94 114.28 104.48 1gm0 n THR 101 Ca 0.08 -0.09 -0.41 0.00 -2.04 0.00 0.00 64.05 61.58 1gm0 n THR 101 Cb 0.04 -2.20 -0.02 0.00 -1.82 0.00 0.00 70.33 66.33 1gm0 n THR 101 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1gm0 s PRO 102 N 3.28 4.21 -0.75 -2.82 0.04 -1.26 -4.86 135.00 132.84 1gm0 s PRO 102 Ca 0.84 2.42 -0.26 0.00 0.04 0.00 0.00 61.00 64.04 1gm0 s PRO 102 Cb -0.46 -3.07 -0.07 0.00 0.04 0.00 0.00 34.50 30.94 1gm0 s PRO 102 CO 0.39 -0.50 2.13 0.00 0.04 0.00 0.00 177.00 179.06 1gm0 s ALA 103 N -0.09 1.50 0.45 8.56 0.00 -1.26 -4.87 121.76 126.04 1gm0 s ALA 103 Ca 0.60 -0.89 -0.22 0.00 0.00 0.00 0.00 51.96 51.45 1gm0 s ALA 103 Cb -0.44 -4.48 -0.09 0.00 0.00 0.00 0.00 23.12 18.12 1gm0 s ALA 103 CO 0.46 -4.87 1.05 1.21 0.00 0.00 0.00 175.76 173.61 1gm0 s ASN 104 N 9.49 6.49 0.53 0.00 3.84 -1.26 -4.96 114.94 129.07 1gm0 s ASN 104 Ca 0.80 2.00 0.31 0.00 0.21 0.00 0.00 52.86 56.17 1gm0 s ASN 104 Cb -0.11 -2.57 1.46 0.00 -0.55 0.00 0.00 41.25 39.47 1gm0 s ASN 104 CO 0.10 -0.68 1.88 -0.78 -2.79 0.00 0.00 177.10 174.84 1gm0 h ASP 105 N 1.97 0.03 -3.63 -4.21 3.58 -2.02 -3.39 116.42 108.74 1gm0 h ASP 105 Ca -0.49 0.00 -0.69 0.00 0.42 0.00 0.00 57.03 56.28 1gm0 h ASP 105 Cb 1.22 -0.00 -0.27 0.00 1.72 0.00 0.00 39.33 42.00 1gm0 h ASP 105 CO 0.60 0.01 -0.60 -0.62 -2.88 0.00 0.00 179.24 175.75 1gm0 s ASP 106 N -5.60 5.27 0.27 2.28 -1.08 -1.26 -5.00 116.67 111.56 1gm0 s ASP 106 Ca -0.05 -0.93 -0.01 0.00 -0.52 0.00 0.00 52.55 51.03 1gm0 s ASP 106 Cb 0.22 -1.89 0.36 0.00 -1.46 0.00 0.00 42.92 40.15 1gm0 s ASP 106 CO 0.78 -0.27 1.77 0.50 0.52 0.00 0.00 175.17 178.47 1gm0 h LYS 107 N 8.25 0.77 0.66 4.34 1.63 -1.99 -0.15 116.57 130.08 1gm0 h LYS 107 Ca -0.27 -0.20 -0.03 0.00 -0.85 0.00 0.00 60.65 59.29 1gm0 h LYS 107 Cb 1.10 -0.09 0.01 0.00 -0.60 0.00 0.00 32.23 32.65 1gm0 h LYS 107 CO 0.61 0.78 -0.32 0.00 -3.45 0.00 0.00 179.45 177.07 1gm0 h ILE 109 N -0.90 1.23 0.10 0.00 2.04 -1.74 -0.76 117.51 117.48 1gm0 h ILE 109 Ca -0.09 -0.45 0.02 0.00 1.00 0.00 0.00 64.86 65.34 1gm0 h ILE 109 Cb 0.68 -0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 1gm0 h ILE 109 CO 0.15 0.24 -0.35 -0.25 0.00 0.00 0.00 178.15 177.94 1gm0 h TRP 110 N 1.33 -0.97 -0.75 1.37 7.01 -0.94 -0.57 115.95 122.43 1gm0 h TRP 110 Ca 0.37 0.02 0.11 0.00 2.11 0.00 0.00 58.89 61.51 1gm0 h TRP 110 Cb -0.11 0.41 -0.08 0.00 -2.10 0.00 0.00 29.16 27.29 1gm0 h TRP 110 CO -0.00 -0.45 0.38 1.15 -2.79 0.00 0.00 178.44 176.72 1gm0 h THR 111 N -0.57 0.82 -0.10 2.65 2.02 0.23 0.94 112.91 118.91 1gm0 h THR 111 Ca 0.03 -0.21 -0.14 0.00 0.77 0.00 0.00 66.41 66.87 1gm0 h THR 111 Cb 0.61 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1gm0 h THR 111 CO -0.22 0.11 -0.54 0.25 0.37 0.00 0.00 175.52 175.49 1gm0 h LEU 112 N 0.62 0.33 0.07 2.58 7.12 -1.12 -1.41 115.31 123.50 1gm0 h LEU 112 Ca 0.38 -0.17 0.02 0.00 0.13 0.00 0.00 57.88 58.24 1gm0 h LEU 112 Cb 0.43 -0.09 -0.04 0.00 -0.53 0.00 0.00 40.66 40.43 1gm0 h LEU 112 CO -0.29 0.80 -0.28 1.23 -0.13 0.00 0.00 178.44 179.77 1gm0 h GLY 113 N 1.33 -0.50 0.51 3.75 0.00 0.72 0.65 103.07 109.54 1gm0 h GLY 113 Ca 0.00 0.34 0.07 0.00 0.00 0.00 0.00 47.33 47.74 1gm0 h GLY 113 CO 0.09 -0.23 0.19 -2.08 0.00 0.00 0.00 176.54 174.51 1gm0 h VAL 114 N -0.47 0.82 -0.47 4.60 2.07 -0.69 -0.98 116.25 121.13 1gm0 h VAL 114 Ca 0.04 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.45 1gm0 h VAL 114 Cb 0.52 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1gm0 h VAL 114 CO -0.20 0.07 0.30 0.00 0.02 0.00 0.00 177.57 177.76 1gm0 h ALA 115 N 1.35 0.60 -0.39 1.67 0.00 -0.98 0.16 119.26 121.66 1gm0 h ALA 115 Ca 0.25 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1gm0 h ALA 115 Cb 0.27 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1gm0 h ALA 115 CO -0.25 0.01 0.25 1.15 0.00 0.00 0.00 179.25 180.40 1gm0 h THR 116 N 0.60 1.12 0.22 0.00 2.02 -0.22 -1.73 112.91 114.91 1gm0 h THR 116 Ca 0.18 -0.26 0.01 0.00 0.77 0.00 0.00 66.41 67.11 1gm0 h THR 116 Cb -0.03 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 1gm0 h THR 116 CO -0.06 0.12 -0.26 0.00 0.37 0.00 0.00 175.52 175.68 1gm0 h PHE 118 N -0.54 -1.50 -0.71 0.00 3.57 -0.06 0.14 116.94 117.84 1gm0 h PHE 118 Ca 0.00 0.04 0.12 0.00 3.53 0.00 0.00 57.97 61.66 1gm0 h PHE 118 Cb 0.51 0.64 -0.13 0.00 2.79 0.00 0.00 35.95 39.77 1gm0 h PHE 118 CO -0.19 -0.59 -0.37 -0.22 -2.23 0.00 0.00 178.31 174.71 1gm0 h LYS 119 N -0.75 -0.12 -1.01 1.11 3.11 -1.40 -0.15 116.57 117.38 1gm0 h LYS 119 Ca -0.01 0.01 0.02 0.00 -2.81 0.00 0.00 60.65 57.86 1gm0 h LYS 119 Cb 0.75 0.03 -0.05 0.00 -1.00 0.00 0.00 32.23 31.95 1gm0 h LYS 119 CO -0.28 -0.08 0.66 0.00 -2.81 0.00 0.00 179.45 176.95 1gm0 h ALA 120 N 1.05 1.30 -0.20 5.00 0.00 -0.56 -2.61 119.26 123.24 1gm0 h ALA 120 Ca 0.26 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1gm0 h ALA 120 Cb 0.56 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1gm0 h ALA 120 CO -0.77 0.61 -0.30 0.93 0.00 0.00 0.00 179.25 179.72 1gm0 h GLU 121 N 1.32 0.38 -0.89 0.00 4.39 0.94 -2.11 114.58 118.61 1gm0 h GLU 121 Ca 0.38 -0.15 0.20 0.00 0.34 0.00 0.00 59.36 60.13 1gm0 h GLU 121 Cb -0.08 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.48 1gm0 h GLU 121 CO -0.10 0.65 0.59 0.82 -1.16 0.00 0.00 179.01 179.81 1gm0 h ILE 122 N 0.34 0.69 0.00 3.13 2.04 -0.79 0.66 117.51 123.57 1gm0 h ILE 122 Ca 0.05 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 1gm0 h ILE 122 Cb 0.70 0.25 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1gm0 h ILE 122 CO 0.05 0.07 -0.11 -0.74 0.00 0.00 0.00 178.15 177.43 1gm0 h HIS 123 N 0.40 0.00 0.00 1.37 2.76 -1.37 -1.30 115.15 117.02 1gm0 h HIS 123 Ca 0.46 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.56 1gm0 h HIS 123 Cb 1.15 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.10 1gm0 h HIS 123 CO -0.00 0.11 -0.35 1.57 -1.30 0.00 0.00 177.93 177.96 1gm0 h LYS 124 N 0.00 0.00 -7.34 5.26 2.10 -0.95 -3.46 116.57 112.19 1gm0 h LYS 124 Ca -0.00 0.00 -0.47 0.00 -2.00 0.00 0.00 60.65 58.18 1gm0 h LYS 124 Cb 0.30 0.00 0.16 0.00 -0.90 0.00 0.00 32.23 31.79 1gm0 h LYS 124 CO 0.01 0.35 0.21 -0.51 -2.00 0.00 0.00 179.45 177.52 1gm0 s LEU 125 N -7.18 1.92 -0.03 7.07 1.43 -0.49 -4.98 118.68 116.42 1gm0 s LEU 125 Ca -0.00 1.37 0.20 0.00 -1.03 0.00 0.00 54.13 54.66 1gm0 s LEU 125 Cb 0.11 -3.67 0.60 0.00 0.03 0.00 0.00 46.19 43.27 1gm0 s LEU 125 CO 0.68 -2.94 1.51 -0.46 0.23 0.00 0.00 176.35 175.37 1gm0 n ASN 126 N -4.07 3.94 -3.64 2.29 0.23 -1.26 -4.96 115.26 107.79 1gm0 n ASN 126 Ca 0.06 -2.11 -0.16 0.00 -0.53 0.00 0.00 54.58 51.84 1gm0 n ASN 126 Cb 0.56 -0.46 -0.08 0.00 -2.08 0.00 0.00 39.78 37.72 1gm0 n ASN 126 CO 0.00 0.00 0.00 -1.66 -0.93 0.00 0.00 177.26 174.67 1gm0 s TRP 127 N -1.21 1.37 -0.21 -2.53 1.48 -1.26 -5.16 118.94 111.42 1gm0 s TRP 127 Ca 0.45 -1.46 -0.04 0.00 -1.06 0.00 0.00 56.10 53.99 1gm0 s TRP 127 Cb 0.25 -0.51 0.07 0.00 -1.16 0.00 0.00 33.47 32.12 1gm0 s TRP 127 CO 0.28 -0.85 0.09 0.00 -4.06 0.00 0.00 176.95 172.41 1gm0 s ALA 128 N -3.64 0.66 0.82 2.67 0.00 -1.26 -4.93 121.76 116.08 1gm0 s ALA 128 Ca 0.37 -0.66 -0.11 0.00 0.00 0.00 0.00 51.96 51.56 1gm0 s ALA 128 Cb 0.03 -1.19 0.09 0.00 0.00 0.00 0.00 23.12 22.05 1gm0 s ALA 128 CO 0.20 -1.32 1.13 -2.14 0.00 0.00 0.00 175.76 173.63 1gm0 s PRO 129 N 2.04 1.78 0.81 0.00 0.02 -1.26 -5.03 135.00 133.36 1gm0 s PRO 129 Ca 0.04 1.40 -0.12 0.00 0.02 0.00 0.00 61.00 62.33 1gm0 s PRO 129 Cb -0.16 -1.83 0.09 0.00 0.02 0.00 0.00 34.50 32.62 1gm0 s PRO 129 CO -0.17 -2.04 1.16 -1.12 -0.33 0.00 0.00 177.00 174.51 1gm0 s SER 130 N -2.91 3.70 0.09 2.53 0.01 -1.26 -4.87 113.70 110.99 1gm0 s SER 130 Ca 0.65 2.20 -0.20 0.00 1.31 0.00 0.00 55.95 59.91 1gm0 s SER 130 Cb -0.21 -2.57 -0.09 0.00 0.21 0.00 0.00 66.02 63.36 1gm0 s SER 130 CO 0.55 -2.58 1.60 0.24 0.41 0.00 0.00 173.24 173.45 1gm0 h MET 131 N -1.09 0.29 0.00 12.44 0.00 -1.99 -1.99 114.93 122.59 1gm0 h MET 131 Ca -0.45 -0.06 -0.00 0.00 0.00 0.00 0.00 59.70 59.19 1gm0 h MET 131 Cb 1.27 -0.04 -0.00 0.00 0.00 0.00 0.00 31.60 32.83 1gm0 h MET 131 CO 0.46 0.39 -0.02 -0.44 0.00 0.00 0.00 176.91 177.31 1gm0 h ASP 132 N 0.14 0.00 0.00 1.22 5.19 -1.97 0.17 116.42 121.17 1gm0 h ASP 132 Ca 0.06 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 1gm0 h ASP 132 Cb 0.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.73 1gm0 h ASP 132 CO -0.00 0.02 0.00 0.52 -3.12 0.00 0.00 179.24 176.65 1gm0 n VAL 133 N -4.43 0.00 -0.01 -1.35 0.31 -1.16 -2.07 118.33 109.62 1gm0 n VAL 133 Ca -0.03 1.10 -0.09 0.00 -0.01 0.00 0.00 64.34 65.30 1gm0 n VAL 133 Cb 0.10 -2.04 -0.03 0.00 -0.91 0.00 0.00 33.84 30.97 1gm0 n VAL 133 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1gm0 h ALA 134 N -2.00 -0.19 -0.28 3.52 0.00 -0.47 0.18 119.26 120.02 1gm0 h ALA 134 Ca 0.00 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1gm0 h ALA 134 Cb 0.00 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1gm0 h ALA 134 CO 0.00 -0.69 -0.07 0.28 0.00 0.00 0.00 179.25 178.77 1gm0 h VAL 135 N -0.29 1.20 -0.11 0.00 2.07 -0.91 -1.65 116.25 116.57 1gm0 h VAL 135 Ca 0.11 -0.86 0.02 0.00 0.82 0.00 0.00 66.70 66.79 1gm0 h VAL 135 Cb 0.45 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1gm0 h VAL 135 CO -0.32 0.28 -0.02 1.23 0.02 0.00 0.00 177.57 178.77 1gm0 h GLY 136 N 0.84 0.09 0.62 2.17 0.00 -0.18 -3.14 103.07 103.47 1gm0 h GLY 136 Ca 0.09 0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 1gm0 h GLY 136 CO 0.02 -0.03 -0.10 0.83 0.00 0.00 0.00 176.54 177.26 1gm0 h GLU 137 N 0.02 -0.27 -0.07 4.80 5.08 -0.29 -2.26 114.58 121.60 1gm0 h GLU 137 Ca 0.05 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1gm0 h GLU 137 Cb 0.07 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1gm0 h GLU 137 CO -0.10 0.08 0.02 0.97 -1.00 0.00 0.00 179.01 178.98 1gm0 h ILE 138 N -0.66 1.03 -0.26 3.13 2.10 -1.41 0.97 117.51 122.40 1gm0 h ILE 138 Ca -0.03 -0.10 -0.19 0.00 1.08 0.00 0.00 64.86 65.62 1gm0 h ILE 138 Cb 0.47 0.96 0.00 0.00 -1.09 0.00 0.00 36.82 37.16 1gm0 h ILE 138 CO 0.05 0.04 -0.57 -0.07 -1.08 0.00 0.00 178.15 176.51 1gm0 h LEU 139 N 0.09 0.96 -0.85 2.19 3.38 -1.50 0.18 115.31 119.76 1gm0 h LEU 139 Ca 0.02 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1gm0 h LEU 139 Cb 0.03 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.50 1gm0 h LEU 139 CO -0.00 1.34 0.19 0.00 0.09 0.00 0.00 178.44 180.05 1gm0 n ALA 140 N -2.57 0.75 0.00 1.53 0.00 0.29 -4.20 120.51 116.30 1gm0 n ALA 140 Ca -0.05 0.12 -0.01 0.00 0.00 0.00 0.00 53.44 53.50 1gm0 n ALA 140 Cb 0.64 -0.91 -0.00 0.00 0.00 0.00 0.00 19.45 19.18 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 -1.97 0.07 0.00 0.00 1.02 -0.82 0.20 120.64 119.14 1gm0 n GLU 141 Ca -0.01 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1gm0 n GLU 141 Cb 0.21 -0.43 0.00 0.00 -0.02 0.00 0.00 31.44 31.20 1gm0 n GLU 141 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59