#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 1.97 -0.61 4.33 -0.21 -1.26 -5.06 119.66 118.82 1gm0 s GLN 2 Ca 0.00 -0.99 0.06 0.00 0.02 0.00 0.00 55.36 54.46 1gm0 s GLN 2 Cb 0.00 -1.99 0.25 0.00 1.00 0.00 0.00 33.01 32.28 1gm0 s GLN 2 CO 0.00 0.53 0.73 0.39 -2.12 0.00 0.00 175.29 174.83 1gm0 n GLU 3 N 2.20 2.36 -1.98 2.91 1.02 -1.26 -4.75 120.64 121.14 1gm0 n GLU 3 Ca -0.16 -4.52 0.01 0.00 -0.02 0.00 0.00 57.16 52.47 1gm0 n GLU 3 Cb 0.51 -2.14 0.04 0.00 -0.02 0.00 0.00 31.44 29.84 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 0.85 0.77 -2.42 2.62 0.31 -1.26 -4.86 118.33 114.33 1gm0 n VAL 4 Ca 0.29 -2.05 0.02 0.00 -0.01 0.00 0.00 64.34 62.59 1gm0 n VAL 4 Cb 0.42 0.92 0.05 0.00 -0.91 0.00 0.00 33.84 34.33 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 -0.09 0.77 -0.47 5.55 2.81 -1.26 -5.08 117.12 119.35 1gm0 n MET 5 Ca 0.09 -2.61 -0.20 0.00 -1.81 0.00 0.00 57.70 53.17 1gm0 n MET 5 Cb 0.98 -0.68 0.18 0.00 -0.71 0.00 0.00 33.22 32.99 1gm0 n MET 5 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1gm0 n LYS 6 N -0.02 -3.05 -1.31 0.03 4.01 -1.26 -4.98 118.16 111.58 1gm0 n LYS 6 Ca 0.10 -1.08 -0.37 0.00 -0.51 0.00 0.00 58.31 56.45 1gm0 n LYS 6 Cb 1.00 -1.16 0.05 0.00 -0.51 0.00 0.00 35.03 34.41 1gm0 n LYS 6 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1gm0 n ASN 7 N -4.51 -1.89 -2.27 4.39 2.04 -1.26 -4.57 115.26 107.20 1gm0 n ASN 7 Ca 0.10 0.63 -0.00 0.00 -0.44 0.00 0.00 54.58 54.86 1gm0 n ASN 7 Cb 0.39 -1.11 -0.00 0.00 -2.53 0.00 0.00 39.78 36.53 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 0.70 -4.72 0.16 -4.53 -0.00 -1.26 -4.93 117.00 102.42 1gm0 n LEU 8 Ca 0.09 2.32 -0.14 0.00 -0.00 0.00 0.00 56.01 58.28 1gm0 n LEU 8 Cb 0.49 -2.75 -0.08 0.00 -0.00 0.00 0.00 43.42 41.08 1gm0 n LEU 8 CO 0.51 -2.56 0.78 -1.28 -0.00 0.00 0.00 177.39 174.85 1gm0 h SER 9 N 4.23 -0.29 -3.17 1.96 0.87 -1.98 -3.44 113.55 111.74 1gm0 h SER 9 Ca -0.01 -0.00 -0.43 0.00 -1.23 0.00 0.00 61.79 60.12 1gm0 h SER 9 Cb 0.02 0.07 0.22 0.00 -0.44 0.00 0.00 62.40 62.27 1gm0 h SER 9 CO 0.00 -0.19 -0.01 -0.76 -0.53 0.00 0.00 176.83 175.34 1gm0 s LEU 10 N -10.11 0.64 -0.98 2.23 1.43 -1.26 -4.96 118.68 105.68 1gm0 s LEU 10 Ca -0.15 1.49 -0.01 0.00 -1.03 0.00 0.00 54.13 54.43 1gm0 s LEU 10 Cb 0.05 -3.35 0.31 0.00 0.03 0.00 0.00 46.19 43.23 1gm0 s LEU 10 CO 0.64 -4.37 1.53 -3.20 0.23 0.00 0.00 176.35 171.19 1gm0 n ASN 11 N -5.03 6.46 0.23 2.29 2.85 -0.08 -4.79 115.26 117.20 1gm0 n ASN 11 Ca 0.02 -3.57 0.08 0.00 -0.11 0.00 0.00 54.58 51.00 1gm0 n ASN 11 Cb 0.54 -1.11 0.54 0.00 1.24 0.00 0.00 39.78 40.99 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 4.56 0.00 0.03 1.20 -1.00 -1.90 -3.24 116.94 116.59 1gm0 h PHE 12 Ca 0.34 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.13 1gm0 h PHE 12 Cb 0.48 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.03 1gm0 h PHE 12 CO 1.12 0.22 -0.10 0.78 -1.61 0.00 0.00 178.31 178.72 1gm0 h GLY 13 N 0.94 -1.16 0.85 -1.45 0.00 -1.98 0.58 103.07 100.85 1gm0 h GLY 13 Ca -0.00 0.53 0.01 0.00 0.00 0.00 0.00 47.33 47.86 1gm0 h GLY 13 CO 0.03 -0.41 -0.07 0.50 0.00 0.00 0.00 176.54 176.59 1gm0 h LYS 14 N -0.15 -0.13 -0.75 4.80 1.79 -1.94 -1.00 116.57 119.18 1gm0 h LYS 14 Ca -0.00 0.01 0.12 0.00 -2.18 0.00 0.00 60.65 58.60 1gm0 h LYS 14 Cb 0.15 0.03 -0.08 0.00 -1.58 0.00 0.00 32.23 30.75 1gm0 h LYS 14 CO -0.05 -0.09 0.34 0.00 -1.08 0.00 0.00 179.45 178.57 1gm0 h ALA 15 N 0.82 1.05 -0.47 3.86 0.00 -1.57 0.63 119.26 123.58 1gm0 h ALA 15 Ca 0.02 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1gm0 h ALA 15 Cb 0.16 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1gm0 h ALA 15 CO -0.05 -0.13 0.13 -0.07 0.00 0.00 0.00 179.25 179.13 1gm0 h LEU 16 N 0.53 0.70 -2.31 0.00 3.38 -0.67 -0.30 115.31 116.64 1gm0 h LEU 16 Ca 0.39 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1gm0 h LEU 16 Cb 0.52 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1gm0 h LEU 16 CO -0.34 0.74 -0.04 -0.78 0.09 0.00 0.00 178.44 178.11 1gm0 h ASP 17 N 0.63 0.00 0.01 -0.43 1.82 0.44 0.14 116.42 119.03 1gm0 h ASP 17 Ca 0.15 0.00 -0.17 0.00 -0.39 0.00 0.00 57.03 56.62 1gm0 h ASP 17 Cb 0.30 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.29 1gm0 h ASP 17 CO -0.00 0.04 -0.91 -0.33 -1.61 0.00 0.00 179.24 176.43 1gm0 h GLU 18 N 0.00 0.03 -0.55 0.28 4.39 -0.97 -3.36 114.58 114.39 1gm0 h GLU 18 Ca -0.00 -0.05 0.10 0.00 0.34 0.00 0.00 59.36 59.75 1gm0 h GLU 18 Cb 0.17 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.77 1gm0 h GLU 18 CO 0.01 1.02 0.14 0.00 -1.16 0.00 0.00 179.01 179.02 1gm0 h LYS 20 N 0.28 0.41 0.08 0.00 5.09 -0.96 -1.15 116.57 120.33 1gm0 h LYS 20 Ca 0.28 -0.02 -0.21 0.00 0.09 0.00 0.00 60.65 60.79 1gm0 h LYS 20 Cb 0.38 -0.09 0.02 0.00 0.10 0.00 0.00 32.23 32.64 1gm0 h LYS 20 CO -0.34 0.27 -0.85 0.87 -2.09 0.00 0.00 179.45 177.30 1gm0 h LYS 21 N 0.42 0.43 0.54 0.07 1.57 -0.95 -0.38 116.57 118.27 1gm0 h LYS 21 Ca 0.25 -0.58 -0.02 0.00 -1.87 0.00 0.00 60.65 58.43 1gm0 h LYS 21 Cb 0.43 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1gm0 h LYS 21 CO -0.07 1.23 -0.41 0.93 -0.57 0.00 0.00 179.45 180.57 1gm0 h GLU 22 N -0.10 -0.87 0.00 3.15 5.08 -0.05 -2.32 114.58 119.47 1gm0 h GLU 22 Ca -0.13 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1gm0 h GLU 22 Cb 1.60 0.20 0.00 0.00 0.50 0.00 0.00 28.75 31.05 1gm0 h GLU 22 CO 0.16 -0.58 0.00 -1.33 -1.00 0.00 0.00 179.01 176.26 1gm0 n MET 23 N -4.92 0.03 -3.55 2.33 2.81 -0.52 -4.92 117.12 108.39 1gm0 n MET 23 Ca -0.11 0.12 -0.23 0.00 -1.81 0.00 0.00 57.70 55.68 1gm0 n MET 23 Cb 0.39 -1.54 0.03 0.00 -0.71 0.00 0.00 33.22 31.39 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 -1.60 -6.50 -1.73 2.03 -1.04 -0.88 -5.03 114.28 99.54 1gm0 n THR 24 Ca 0.05 -0.65 -0.30 0.00 -2.04 0.00 0.00 64.05 61.11 1gm0 n THR 24 Cb 0.28 -4.76 0.21 0.00 -1.82 0.00 0.00 70.33 64.25 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 -5.60 2.23 0.00 -4.42 1.43 -0.17 -5.02 118.68 107.12 1gm0 s LEU 25 Ca 0.28 0.27 -0.17 0.00 -1.03 0.00 0.00 54.13 53.49 1gm0 s LEU 25 Cb -0.10 -2.16 0.24 0.00 0.03 0.00 0.00 46.19 44.20 1gm0 s LEU 25 CO 0.84 -3.21 0.92 0.35 0.23 0.00 0.00 176.35 175.48 1gm0 n THR 26 N -4.08 0.00 -0.04 5.49 -2.24 -1.26 -4.91 114.28 107.24 1gm0 n THR 26 Ca 0.16 -0.44 0.04 0.00 -2.27 0.00 0.00 64.05 61.54 1gm0 n THR 26 Cb 0.59 -1.24 -0.16 0.00 -2.10 0.00 0.00 70.33 67.42 1gm0 n THR 26 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1gm0 n ASP 27 N -4.44 0.06 -0.32 3.42 2.03 -1.26 -4.47 116.55 111.58 1gm0 n ASP 27 Ca 0.13 0.00 0.22 0.00 0.52 0.00 0.00 54.79 55.65 1gm0 n ASP 27 Cb 0.48 1.64 0.50 0.00 -0.72 0.00 0.00 41.12 43.03 1gm0 n ASP 27 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1gm0 h ALA 28 N 1.63 2.21 -1.27 -1.67 0.00 -2.02 -1.41 119.26 116.74 1gm0 h ALA 28 Ca -0.19 0.06 0.37 0.00 0.00 0.00 0.00 54.91 55.15 1gm0 h ALA 28 Cb 1.42 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.17 1gm0 h ALA 28 CO 0.01 -0.60 0.90 -0.84 0.00 0.00 0.00 179.25 178.72 1gm0 h ILE 29 N 0.41 0.36 0.00 0.00 -0.00 -1.95 0.18 117.51 116.51 1gm0 h ILE 29 Ca 0.58 -0.02 -0.02 0.00 -0.00 0.00 0.00 64.86 65.40 1gm0 h ILE 29 Cb 1.45 0.31 -0.00 0.00 -0.00 0.00 0.00 36.82 38.57 1gm0 h ILE 29 CO -0.28 0.01 -0.10 -1.13 -0.00 0.00 0.00 178.15 176.65 1gm0 h ASN 30 N 0.05 0.00 0.00 2.16 -0.73 -1.58 -2.50 115.58 112.98 1gm0 h ASN 30 Ca 0.62 0.00 -0.28 0.00 1.87 0.00 0.00 56.30 58.52 1gm0 h ASN 30 Cb 2.38 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 40.93 1gm0 h ASN 30 CO -0.06 0.10 -1.87 -0.62 -0.37 0.00 0.00 177.43 174.61 1gm0 n GLU 31 N -4.21 0.42 -0.01 6.67 -0.58 -0.33 -4.68 120.64 117.92 1gm0 n GLU 31 Ca -0.03 0.18 0.15 0.00 -0.42 0.00 0.00 57.16 57.04 1gm0 n GLU 31 Cb 0.18 -1.20 0.59 0.00 -0.57 0.00 0.00 31.44 30.44 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 -0.72 0.18 0.40 1.62 3.58 -0.74 0.57 116.42 121.32 1gm0 h ASP 32 Ca -0.42 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.02 1gm0 h ASP 32 Cb 1.32 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.34 1gm0 h ASP 32 CO -0.25 0.11 -0.19 0.15 -2.88 0.00 0.00 179.24 176.17 1gm0 h PHE 33 N 0.20 -0.50 -0.78 0.28 3.57 -1.67 -2.37 116.94 115.66 1gm0 h PHE 33 Ca 0.24 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 1gm0 h PHE 33 Cb 0.69 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.55 1gm0 h PHE 33 CO -0.00 -0.19 0.40 1.88 -2.23 0.00 0.00 178.31 178.17 1gm0 h TYR 34 N -0.81 1.09 -0.67 0.41 -1.99 -1.38 -2.68 116.97 110.94 1gm0 h TYR 34 Ca -0.06 -0.04 0.09 0.00 2.00 0.00 0.00 58.73 60.73 1gm0 h TYR 34 Cb 0.54 -0.35 -0.07 0.00 2.00 0.00 0.00 36.73 38.85 1gm0 h TYR 34 CO 0.01 0.78 0.32 -0.91 -0.00 0.00 0.00 178.16 178.35 1gm0 h ASN 35 N 1.10 0.40 -0.98 3.88 -0.26 -0.97 -3.05 115.58 115.70 1gm0 h ASN 35 Ca 0.27 0.06 0.21 0.00 -0.56 0.00 0.00 56.30 56.29 1gm0 h ASN 35 Cb 0.07 0.00 -0.09 0.00 -1.06 0.00 0.00 38.32 37.24 1gm0 h ASN 35 CO -0.04 0.23 0.62 0.15 -1.06 0.00 0.00 177.43 177.33 1gm0 h PHE 36 N 0.55 0.82 0.00 1.19 3.57 -1.06 -2.00 116.94 120.02 1gm0 h PHE 36 Ca 0.33 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.86 1gm0 h PHE 36 Cb 0.36 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.85 1gm0 h PHE 36 CO -0.12 0.17 0.00 -1.49 -2.23 0.00 0.00 178.31 174.63 1gm0 h TRP 37 N 0.57 0.00 -4.28 0.41 6.55 -1.68 -3.43 115.95 114.10 1gm0 h TRP 37 Ca 0.55 0.00 -0.51 0.00 0.95 0.00 0.00 58.89 59.88 1gm0 h TRP 37 Cb 1.13 0.00 0.12 0.00 -0.86 0.00 0.00 29.16 29.54 1gm0 h TRP 37 CO -0.00 0.00 0.34 0.15 -1.05 0.00 0.00 178.44 177.88 1gm0 s LYS 38 N -3.31 2.54 0.33 0.49 1.02 -0.75 -5.00 119.74 115.05 1gm0 s LYS 38 Ca 0.06 1.21 -0.28 0.00 0.02 0.00 0.00 55.97 56.98 1gm0 s LYS 38 Cb 0.09 -1.93 -0.09 0.00 -0.52 0.00 0.00 37.83 35.38 1gm0 s LYS 38 CO 0.55 -1.43 1.15 -1.21 -0.92 0.00 0.00 175.35 173.49 1gm0 s GLU 39 N -4.64 4.42 0.00 1.68 8.01 -1.26 -3.17 118.70 123.75 1gm0 s GLU 39 Ca 0.63 1.86 0.00 0.00 0.01 0.00 0.00 54.97 57.47 1gm0 s GLU 39 Cb -0.18 -3.00 0.00 0.00 -4.31 0.00 0.00 34.13 26.64 1gm0 s GLU 39 CO 0.51 -0.01 0.00 0.41 0.01 0.00 0.00 175.26 176.18 1gm0 n GLY 40 N 0.92 2.33 3.52 -1.39 0.00 -1.26 -4.98 105.19 104.32 1gm0 n GLY 40 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.18 2.56 -1.33 1.61 1.51 -1.19 -4.90 117.35 112.43 1gm0 s TYR 41 Ca 0.00 -0.59 -0.07 0.00 -1.01 0.00 0.00 57.07 55.40 1gm0 s TYR 41 Cb 0.00 -4.52 0.00 0.00 -0.11 0.00 0.00 41.96 37.33 1gm0 s TYR 41 CO 0.00 -1.86 2.73 -1.91 -1.11 0.00 0.00 175.55 173.40 1gm0 n GLU 42 N 8.45 3.95 -2.34 -0.62 2.13 -1.26 -4.76 120.64 126.19 1gm0 n GLU 42 Ca 0.13 -2.72 -0.35 0.00 0.66 0.00 0.00 57.16 54.89 1gm0 n GLU 42 Cb 0.49 -2.64 -0.04 0.00 0.27 0.00 0.00 31.44 29.52 1gm0 n GLU 42 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1gm0 s ILE 43 N 0.34 3.73 -0.36 6.31 -1.09 -1.26 -4.77 121.20 124.10 1gm0 s ILE 43 Ca 0.62 -0.67 0.07 0.00 -2.23 0.00 0.00 60.65 58.44 1gm0 s ILE 43 Cb 0.20 -4.64 0.44 0.00 -1.58 0.00 0.00 42.46 36.89 1gm0 s ILE 43 CO -0.08 -1.52 1.14 2.29 -1.23 0.00 0.00 174.94 175.53 1gm0 n LYS 44 N 8.83 3.30 0.00 2.79 2.85 -1.26 -4.96 118.16 129.70 1gm0 n LYS 44 Ca 0.37 -4.24 0.00 0.00 -1.05 0.00 0.00 58.31 53.39 1gm0 n LYS 44 Cb 0.49 -2.17 0.00 0.00 -0.65 0.00 0.00 35.03 32.70 1gm0 n LYS 44 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1gm0 n ASN 45 N -0.56 0.00 0.02 -5.58 5.15 -1.26 -5.08 115.26 107.95 1gm0 n ASN 45 Ca 0.38 0.00 -0.02 0.00 -0.60 0.00 0.00 54.58 54.34 1gm0 n ASN 45 Cb 0.81 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 40.05 1gm0 n ASN 45 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1gm0 n ARG 46 N 0.00 0.10 -0.19 1.20 1.74 -1.26 -4.68 116.66 113.56 1gm0 n ARG 46 Ca 0.00 0.04 0.10 0.00 -0.77 0.00 0.00 57.85 57.22 1gm0 n ARG 46 Cb 0.00 -0.67 0.40 0.00 -1.02 0.00 0.00 32.46 31.17 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 -0.18 0.63 -0.54 5.56 4.39 -1.98 0.54 114.58 123.01 1gm0 h GLU 47 Ca -0.02 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.53 1gm0 h GLU 47 Cb 0.35 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1gm0 h GLU 47 CO -0.01 0.42 -0.09 1.15 -1.16 0.00 0.00 179.01 179.31 1gm0 h THR 48 N 0.65 1.27 -0.11 1.13 2.02 -1.95 0.27 112.91 116.19 1gm0 h THR 48 Ca 0.35 -1.23 -0.15 0.00 0.77 0.00 0.00 66.41 66.15 1gm0 h THR 48 Cb 0.50 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1gm0 h THR 48 CO -0.13 0.43 -0.59 1.23 0.37 0.00 0.00 175.52 176.84 1gm0 h GLY 49 N 0.96 0.41 1.41 2.16 0.00 -1.23 -2.95 103.07 103.83 1gm0 h GLY 49 Ca 0.14 -0.50 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 1gm0 h GLY 49 CO 0.04 0.44 0.04 0.00 0.00 0.00 0.00 176.54 177.07 1gm0 h ALA 51 N 1.36 0.50 0.69 0.00 0.00 -0.32 0.13 119.26 121.62 1gm0 h ALA 51 Ca 0.15 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1gm0 h ALA 51 Cb 0.36 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.22 1gm0 h ALA 51 CO 0.01 -0.26 -0.33 0.82 0.00 0.00 0.00 179.25 179.48 1gm0 h ILE 52 N 0.28 0.31 -0.03 0.00 2.04 -1.30 0.16 117.51 118.97 1gm0 h ILE 52 Ca 0.20 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 66.04 1gm0 h ILE 52 Cb 0.22 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1gm0 h ILE 52 CO -0.23 0.00 0.13 -0.03 0.00 0.00 0.00 178.15 178.02 1gm0 h MET 53 N -0.95 0.00 0.08 2.37 4.05 -0.71 -0.41 114.93 119.36 1gm0 h MET 53 Ca -0.09 0.00 -0.36 0.00 -0.28 0.00 0.00 59.70 58.97 1gm0 h MET 53 Cb 0.72 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.48 1gm0 h MET 53 CO 0.16 0.00 -2.02 0.00 0.23 0.00 0.00 176.91 175.28 1gm0 h LEU 55 N -0.14 0.00 0.00 0.00 3.38 0.56 -2.67 115.31 116.44 1gm0 h LEU 55 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1gm0 h LEU 55 Cb 1.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.64 1gm0 h LEU 55 CO -0.01 0.02 0.00 -1.54 0.09 0.00 0.00 178.44 177.00 1gm0 n SER 56 N -3.18 0.00 -1.15 -0.43 3.41 -0.29 -0.91 113.62 111.07 1gm0 n SER 56 Ca -0.01 -0.07 0.02 0.00 -0.26 0.00 0.00 58.87 58.55 1gm0 n SER 56 Cb 0.22 -0.21 0.12 0.00 -0.26 0.00 0.00 64.21 64.08 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 -1.21 1.48 -1.03 6.66 5.66 -1.00 -4.62 114.28 120.21 1gm0 n THR 57 Ca 0.08 -2.60 0.05 0.00 -3.05 0.00 0.00 64.05 58.53 1gm0 n THR 57 Cb 0.10 0.16 0.07 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 -0.53 1.26 -0.30 1.09 4.76 -0.09 -4.87 118.16 119.48 1gm0 n LYS 58 Ca 0.16 -1.84 0.10 0.00 -2.87 0.00 0.00 58.31 53.87 1gm0 n LYS 58 Cb 0.87 -1.10 0.33 0.00 -1.84 0.00 0.00 35.03 33.29 1gm0 n LYS 58 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1gm0 h LEU 59 N 0.00 0.75 -0.34 -0.35 3.38 -1.83 0.14 115.31 117.06 1gm0 h LEU 59 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1gm0 h LEU 59 Cb 0.98 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1gm0 h LEU 59 CO 0.00 0.39 0.00 -0.46 0.09 0.00 0.00 178.44 178.46 1gm0 n ASN 60 N -4.58 0.30 0.01 -0.43 6.94 -1.26 -0.49 115.26 115.75 1gm0 n ASN 60 Ca 0.18 0.58 -0.22 0.00 -0.02 0.00 0.00 54.58 55.10 1gm0 n ASN 60 Cb 0.42 -0.64 -0.14 0.00 -2.36 0.00 0.00 39.78 37.06 1gm0 n ASN 60 CO 0.00 0.00 0.00 0.24 -1.03 0.00 0.00 177.26 176.47 1gm0 h MET 61 N 0.00 0.25 -0.35 -3.83 2.86 -1.12 -3.40 114.93 109.33 1gm0 h MET 61 Ca 0.00 -0.43 -0.15 0.00 -2.06 0.00 0.00 59.70 57.06 1gm0 h MET 61 Cb 0.28 0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 1gm0 h MET 61 CO 0.00 1.20 -0.38 -0.07 1.06 0.00 0.00 176.91 178.72 1gm0 h LEU 62 N -0.22 0.90 -7.47 1.22 3.38 -0.87 -3.41 115.31 108.83 1gm0 h LEU 62 Ca -0.34 -0.40 -0.65 0.00 0.09 0.00 0.00 57.88 56.57 1gm0 h LEU 62 Cb 1.83 -0.25 -0.40 0.00 0.09 0.00 0.00 40.66 41.93 1gm0 h LEU 62 CO 0.06 1.17 -0.61 -0.62 0.09 0.00 0.00 178.44 178.53 1gm0 s ASP 63 N -6.84 4.54 0.27 -0.43 -1.08 0.36 -0.90 116.67 112.59 1gm0 s ASP 63 Ca -0.10 -2.81 0.08 0.00 -0.52 0.00 0.00 52.55 49.20 1gm0 s ASP 63 Cb 0.12 -1.67 0.36 0.00 -1.46 0.00 0.00 42.92 40.26 1gm0 s ASP 63 CO 0.87 -0.29 1.62 1.55 0.52 0.00 0.00 175.17 179.44 1gm0 h PRO 64 N 6.82 0.12 -0.06 4.34 0.13 -1.79 -2.36 132.00 139.20 1gm0 h PRO 64 Ca -0.07 -0.08 0.02 0.00 -0.87 0.00 0.00 66.00 65.00 1gm0 h PRO 64 Cb 0.93 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.06 1gm0 h PRO 64 CO 0.66 0.66 0.04 0.93 -0.23 0.00 0.00 178.00 180.06 1gm0 h GLU 65 N 0.09 0.00 -4.77 0.86 5.08 -1.94 -3.47 114.58 110.44 1gm0 h GLU 65 Ca -0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 1gm0 h GLU 65 Cb 1.03 0.00 0.12 0.00 0.50 0.00 0.00 28.75 30.40 1gm0 h GLU 65 CO 0.08 0.00 -0.52 0.41 -1.00 0.00 0.00 179.01 177.98 1gm0 n GLY 66 N -1.50 -0.66 0.11 -3.84 0.00 -0.89 -5.00 105.19 93.41 1gm0 n GLY 66 Ca -0.02 0.34 -0.20 0.00 0.00 0.00 0.00 46.02 46.15 1gm0 n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1gm0 n ASN 67 N -2.56 1.90 -4.68 1.61 3.02 -1.26 -4.95 115.26 108.33 1gm0 n ASN 67 Ca -0.04 0.42 -0.42 0.00 -0.03 0.00 0.00 54.58 54.50 1gm0 n ASN 67 Cb 0.57 -0.87 -0.03 0.00 -0.61 0.00 0.00 39.78 38.85 1gm0 n ASN 67 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1gm0 s LEU 68 N -7.82 4.31 0.15 3.41 2.96 -1.26 -4.68 118.68 115.75 1gm0 s LEU 68 Ca -0.30 2.14 -0.00 0.00 -0.22 0.00 0.00 54.13 55.75 1gm0 s LEU 68 Cb 0.08 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.17 1gm0 s LEU 68 CO 0.47 -0.77 0.05 -1.00 -1.32 0.00 0.00 176.35 173.78 1gm0 s HIS 69 N 2.75 1.01 -0.22 5.38 3.76 -0.62 -4.61 115.29 122.73 1gm0 s HIS 69 Ca 0.66 -1.20 -0.29 0.00 -0.15 0.00 0.00 55.06 54.08 1gm0 s HIS 69 Cb -0.32 -0.56 -0.01 0.00 1.11 0.00 0.00 32.58 32.80 1gm0 s HIS 69 CO 0.27 -0.45 1.29 -1.58 -0.85 0.00 0.00 174.74 173.41 1gm0 s HIS 70 N -3.96 2.75 -0.18 1.40 2.46 -1.26 -2.06 115.29 114.44 1gm0 s HIS 70 Ca 0.26 0.94 0.00 0.00 0.47 0.00 0.00 55.06 56.73 1gm0 s HIS 70 Cb 0.07 -3.67 0.00 0.00 -0.13 0.00 0.00 32.58 28.85 1gm0 s HIS 70 CO 0.04 -1.76 0.00 0.41 -2.47 0.00 0.00 174.74 170.96 1gm0 n GLY 71 N 3.92 0.49 2.58 1.59 0.00 0.15 -4.94 105.19 108.97 1gm0 n GLY 71 Ca 0.14 -0.20 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 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 0.03 -2.06 0.00 1.61 5.15 -0.88 -4.95 115.26 114.16 1gm0 n ASN 72 Ca -0.02 -2.72 0.00 0.00 -0.60 0.00 0.00 54.58 51.24 1gm0 n ASN 72 Cb 0.17 0.72 0.00 0.00 -0.53 0.00 0.00 39.78 40.14 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 2.72 1.92 -0.00 5.20 0.00 -1.25 -1.60 120.51 127.49 1gm0 n ALA 73 Ca 0.22 -0.88 -0.01 0.00 0.00 0.00 0.00 53.44 52.77 1gm0 n ALA 73 Cb 0.53 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.24 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 0.00 0.53 0.17 0.00 2.86 -1.92 0.74 114.93 117.31 1gm0 h MET 74 Ca 0.00 -0.14 -0.30 0.00 -2.06 0.00 0.00 59.70 57.21 1gm0 h MET 74 Cb 0.50 -0.07 0.02 0.00 0.06 0.00 0.00 31.60 32.11 1gm0 h MET 74 CO 0.00 0.61 -1.34 0.93 1.06 0.00 0.00 176.91 178.17 1gm0 h GLU 75 N 0.50 0.37 0.35 1.72 4.39 -1.90 -2.54 114.58 117.45 1gm0 h GLU 75 Ca 0.10 -0.63 -0.02 0.00 0.34 0.00 0.00 59.36 59.16 1gm0 h GLU 75 Cb 0.43 0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1gm0 h GLU 75 CO 0.02 1.30 -0.17 0.35 -1.16 0.00 0.00 179.01 179.35 1gm0 h PHE 76 N 0.10 -0.43 -0.78 4.33 3.57 -1.66 -1.98 116.94 120.09 1gm0 h PHE 76 Ca -0.18 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.45 1gm0 h PHE 76 Cb 2.05 0.14 -0.09 0.00 2.79 0.00 0.00 35.95 40.83 1gm0 h PHE 76 CO 0.09 -0.23 0.33 0.00 -2.23 0.00 0.00 178.31 176.27 1gm0 h ALA 77 N 0.11 1.11 0.00 2.41 0.00 -0.96 0.17 119.26 122.10 1gm0 h ALA 77 Ca -0.05 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1gm0 h ALA 77 Cb 0.40 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1gm0 h ALA 77 CO 0.08 -0.18 -0.01 0.87 0.00 0.00 0.00 179.25 180.00 1gm0 h LYS 78 N 0.49 0.00 -0.00 0.00 1.57 -0.99 -0.44 116.57 117.19 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 0.63 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 1gm0 h LYS 78 CO -0.39 0.01 0.00 0.87 -0.57 0.00 0.00 179.45 179.37 1gm0 h LYS 79 N 0.00 0.00 -0.25 3.15 1.57 0.12 -1.93 116.57 119.24 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 -3.70 0.59 -0.94 -1.35 8.25 -0.23 -4.97 115.22 112.87 1gm0 n HIS 80 Ca -0.03 -0.71 0.00 0.00 -0.26 0.00 0.00 57.72 56.72 1gm0 n HIS 80 Cb 0.08 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.02 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 -0.20 0.62 3.63 -1.41 0.00 -0.72 -4.99 105.19 102.12 1gm0 n GLY 81 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1gm0 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gm0 s ALA 82 N -2.68 3.37 1.07 4.61 0.00 -0.87 -4.91 121.76 122.34 1gm0 s ALA 82 Ca 0.00 0.35 -0.12 0.00 0.00 0.00 0.00 51.96 52.19 1gm0 s ALA 82 Cb 0.00 -3.79 0.17 0.00 0.00 0.00 0.00 23.12 19.50 1gm0 s ALA 82 CO 0.00 -1.77 0.82 -0.40 0.00 0.00 0.00 175.76 174.41 1gm0 n ASP 83 N 7.86 -0.71 -0.13 0.00 5.68 -1.26 -2.22 116.55 125.77 1gm0 n ASP 83 Ca 0.17 -1.16 -0.07 0.00 -0.50 0.00 0.00 54.79 53.22 1gm0 n ASP 83 Cb 0.46 -0.67 0.01 0.00 -1.14 0.00 0.00 41.12 39.77 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 0.49 -0.61 0.11 4.81 -1.95 -1.48 114.58 115.95 1gm0 h GLU 84 Ca -0.28 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 58.84 1gm0 h GLU 84 Cb 0.81 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 1gm0 h GLU 84 CO 0.19 0.33 0.09 1.15 -0.73 0.00 0.00 179.01 180.04 1gm0 h THR 85 N 0.51 1.26 -0.77 0.32 2.02 -1.98 -0.16 112.91 114.11 1gm0 h THR 85 Ca 0.16 -1.02 0.02 0.00 0.77 0.00 0.00 66.41 66.34 1gm0 h THR 85 Cb -0.02 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 1gm0 h THR 85 CO -0.06 0.38 0.50 0.24 0.37 0.00 0.00 175.52 176.95 1gm0 h MET 86 N 0.93 0.96 0.20 6.66 2.86 -1.84 0.13 114.93 124.82 1gm0 h MET 86 Ca 0.19 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1gm0 h MET 86 Cb 0.44 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1gm0 h MET 86 CO 0.01 0.63 -0.09 0.00 1.06 0.00 0.00 176.91 178.52 1gm0 h ALA 87 N 1.31 -0.26 -0.56 6.32 0.00 -0.84 -2.85 119.26 122.37 1gm0 h ALA 87 Ca 0.30 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.21 1gm0 h ALA 87 Cb -0.03 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1gm0 h ALA 87 CO -0.09 -0.62 0.23 0.37 0.00 0.00 0.00 179.25 179.13 1gm0 h GLN 88 N -0.32 0.41 -0.42 0.00 -0.00 -0.44 0.40 115.11 114.73 1gm0 h GLN 88 Ca -0.03 -0.02 0.09 0.00 -0.00 0.00 0.00 58.65 58.69 1gm0 h GLN 88 Cb 0.25 -0.09 -0.09 0.00 0.00 0.00 0.00 27.48 27.54 1gm0 h GLN 88 CO 0.04 0.27 -0.24 1.96 0.00 0.00 0.00 178.83 180.86 1gm0 h GLN 89 N 0.42 -0.15 -0.09 1.69 1.08 -0.79 0.10 115.11 117.37 1gm0 h GLN 89 Ca 0.27 0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 57.41 1gm0 h GLN 89 Cb 0.29 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 1gm0 h GLN 89 CO -0.26 -0.10 -0.30 -0.07 -0.95 0.00 0.00 178.83 177.15 1gm0 h LEU 90 N -0.16 0.17 -0.16 1.46 3.38 -0.75 -2.66 115.31 116.59 1gm0 h LEU 90 Ca 0.20 -0.05 -0.23 0.00 0.09 0.00 0.00 57.88 57.89 1gm0 h LEU 90 Cb 0.48 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.19 1gm0 h LEU 90 CO -0.52 0.47 -0.93 0.40 0.09 0.00 0.00 178.44 177.95 1gm0 h ILE 91 N 0.15 1.36 -0.86 1.22 2.04 -0.33 -0.27 117.51 120.83 1gm0 h ILE 91 Ca 0.02 -2.34 0.05 0.00 1.00 0.00 0.00 64.86 63.59 1gm0 h ILE 91 Cb 0.62 2.35 -0.06 0.00 -0.74 0.00 0.00 36.82 38.99 1gm0 h ILE 91 CO 0.04 0.71 0.55 -0.78 0.00 0.00 0.00 178.15 178.67 1gm0 h ASP 92 N 0.29 0.88 -0.19 1.72 1.82 -0.73 -0.82 116.42 119.40 1gm0 h ASP 92 Ca -0.08 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.56 1gm0 h ASP 92 Cb 1.56 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 41.38 1gm0 h ASP 92 CO 0.17 0.59 0.10 0.40 -1.61 0.00 0.00 179.24 178.88 1gm0 h ILE 93 N 1.03 1.13 0.22 2.25 2.04 -1.24 0.15 117.51 123.09 1gm0 h ILE 93 Ca 0.36 -0.37 0.01 0.00 1.00 0.00 0.00 64.86 65.86 1gm0 h ILE 93 Cb 0.09 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 1gm0 h ILE 93 CO -0.15 0.12 -0.29 0.58 0.00 0.00 0.00 178.15 178.42 1gm0 h VAL 94 N 0.19 0.38 0.00 1.67 2.07 -0.28 0.82 116.25 121.10 1gm0 h VAL 94 Ca 0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1gm0 h VAL 94 Cb 0.11 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1gm0 h VAL 94 CO -0.01 0.00 0.00 1.41 0.02 0.00 0.00 177.57 178.99 1gm0 n HIS 95 N -5.41 0.18 0.08 1.57 8.25 -0.38 -1.78 115.22 117.73 1gm0 n HIS 95 Ca -0.08 0.06 0.06 0.00 -0.26 0.00 0.00 57.72 57.50 1gm0 n HIS 95 Cb 0.31 -0.60 -0.02 0.00 1.12 0.00 0.00 29.99 30.80 1gm0 n HIS 95 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1gm0 h GLY 96 N 3.39 0.00 0.17 -1.41 0.00 -0.07 -3.40 103.07 101.75 1gm0 h GLY 96 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 1gm0 h GLY 96 CO 0.00 0.00 -1.94 0.00 0.00 0.00 0.00 176.54 174.60 1gm0 n GLU 98 N -2.46 0.13 -0.08 0.00 1.02 -1.06 -2.41 120.64 115.79 1gm0 n GLU 98 Ca -0.10 0.60 -0.10 0.00 -0.02 0.00 0.00 57.16 57.54 1gm0 n GLU 98 Cb 0.72 -1.91 -0.05 0.00 -0.02 0.00 0.00 31.44 30.18 1gm0 n GLU 98 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1gm0 h LYS 99 N 0.00 0.00 -0.73 3.49 1.79 -1.77 -3.38 116.57 115.97 1gm0 h LYS 99 Ca 0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1gm0 h LYS 99 Cb 0.04 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.65 1gm0 h LYS 99 CO 0.00 0.36 0.37 0.66 -1.08 0.00 0.00 179.45 179.76 1gm0 h SER 100 N -1.00 0.94 -2.60 0.86 4.64 -1.65 -3.41 113.55 111.33 1gm0 h SER 100 Ca -0.11 -0.12 -0.55 0.00 -0.47 0.00 0.00 61.79 60.53 1gm0 h SER 100 Cb 0.73 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 1gm0 h SER 100 CO -0.07 0.79 1.14 -0.89 -0.87 0.00 0.00 176.83 176.93 1gm0 s THR 101 N -5.76 3.53 0.27 2.95 2.01 -1.01 -4.98 115.64 112.66 1gm0 s THR 101 Ca -0.13 0.63 -0.29 0.00 0.31 0.00 0.00 61.69 62.21 1gm0 s THR 101 Cb 0.15 -3.46 -0.09 0.00 0.01 0.00 0.00 72.50 69.10 1gm0 s THR 101 CO 0.81 -0.12 1.16 -2.16 -0.69 0.00 0.00 174.62 173.61 1gm0 s PRO 102 N 4.40 4.56 -0.72 4.92 0.04 -1.26 -4.83 135.00 142.12 1gm0 s PRO 102 Ca 0.76 1.90 -0.27 0.00 0.04 0.00 0.00 61.00 63.43 1gm0 s PRO 102 Cb -0.32 -3.17 -0.14 0.00 0.04 0.00 0.00 34.50 30.91 1gm0 s PRO 102 CO 0.31 0.08 2.51 0.00 0.04 0.00 0.00 177.00 179.93 1gm0 n ALA 103 N 1.34 0.59 -1.92 8.56 0.00 -1.26 -4.86 120.51 122.96 1gm0 n ALA 103 Ca 0.00 -0.74 -0.32 0.00 0.00 0.00 0.00 53.44 52.38 1gm0 n ALA 103 Cb 0.44 -2.85 -0.03 0.00 0.00 0.00 0.00 19.45 17.01 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 10.44 6.57 0.32 0.00 3.84 -1.26 -4.97 114.94 129.87 1gm0 s ASN 104 Ca 1.13 1.46 0.24 0.00 0.21 0.00 0.00 52.86 55.89 1gm0 s ASN 104 Cb -0.58 -2.46 1.14 0.00 -0.55 0.00 0.00 41.25 38.79 1gm0 s ASN 104 CO 0.34 -0.57 1.73 -0.78 -2.79 0.00 0.00 177.10 175.04 1gm0 h ASP 105 N 0.90 0.00 -3.51 -4.21 3.58 -2.02 -3.40 116.42 107.77 1gm0 h ASP 105 Ca -0.47 0.00 -0.67 0.00 0.42 0.00 0.00 57.03 56.31 1gm0 h ASP 105 Cb 1.19 0.00 -0.34 0.00 1.72 0.00 0.00 39.33 41.89 1gm0 h ASP 105 CO 0.62 0.00 -0.79 -0.62 -2.88 0.00 0.00 179.24 175.57 1gm0 s ASP 106 N -4.26 4.07 0.51 2.28 -1.08 -1.26 -5.00 116.67 111.94 1gm0 s ASP 106 Ca 0.01 -0.98 0.18 0.00 -0.52 0.00 0.00 52.55 51.24 1gm0 s ASP 106 Cb 0.08 -1.59 1.27 0.00 -1.46 0.00 0.00 42.92 41.22 1gm0 s ASP 106 CO 0.32 -0.12 2.12 0.50 0.52 0.00 0.00 175.17 178.50 1gm0 h LYS 107 N 7.93 0.00 0.38 4.34 1.63 -1.99 -0.31 116.57 128.55 1gm0 h LYS 107 Ca -0.32 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.47 1gm0 h LYS 107 Cb 1.10 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.71 1gm0 h LYS 107 CO 0.56 0.05 -0.28 0.00 -3.45 0.00 0.00 179.45 176.33 1gm0 h ILE 109 N -0.65 1.28 0.30 0.00 2.04 -1.68 -0.84 117.51 117.96 1gm0 h ILE 109 Ca -0.03 -1.62 0.00 0.00 1.00 0.00 0.00 64.86 64.21 1gm0 h ILE 109 Cb 0.56 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 1gm0 h ILE 109 CO 0.00 0.53 -0.33 -0.25 0.00 0.00 0.00 178.15 178.11 1gm0 h TRP 110 N 0.67 -0.88 -0.82 1.37 7.01 -1.08 -1.71 115.95 120.52 1gm0 h TRP 110 Ca 0.04 0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.12 1gm0 h TRP 110 Cb 1.02 0.35 -0.05 0.00 -2.10 0.00 0.00 29.16 28.37 1gm0 h TRP 110 CO 0.06 -0.46 0.53 1.15 -2.79 0.00 0.00 178.44 176.93 1gm0 h THR 111 N -0.67 1.03 -0.40 2.65 2.02 -0.81 0.00 112.91 116.73 1gm0 h THR 111 Ca -0.01 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 66.84 1gm0 h THR 111 Cb 0.61 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1gm0 h THR 111 CO -0.08 0.16 0.16 0.25 0.37 0.00 0.00 175.52 176.38 1gm0 h LEU 112 N 0.87 0.56 -0.30 2.58 5.85 -0.99 -0.74 115.31 123.15 1gm0 h LEU 112 Ca 0.36 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.97 1gm0 h LEU 112 Cb 0.26 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.07 1gm0 h LEU 112 CO -0.13 0.57 -0.22 1.23 -0.34 0.00 0.00 178.44 179.55 1gm0 h GLY 113 N 0.50 -0.07 0.30 3.75 0.00 -0.11 0.71 103.07 108.15 1gm0 h GLY 113 Ca 0.13 0.28 0.02 0.00 0.00 0.00 0.00 47.33 47.77 1gm0 h GLY 113 CO -0.01 -0.19 -0.37 -2.08 0.00 0.00 0.00 176.54 173.89 1gm0 h VAL 114 N -0.20 0.23 0.00 4.60 2.07 -0.91 -1.29 116.25 120.75 1gm0 h VAL 114 Ca 0.16 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1gm0 h VAL 114 Cb 0.44 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1gm0 h VAL 114 CO -0.41 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.18 1gm0 n ALA 115 N -2.79 1.45 -0.04 1.67 0.00 -0.30 -1.26 120.51 119.23 1gm0 n ALA 115 Ca -0.06 0.09 -0.15 0.00 0.00 0.00 0.00 53.44 53.32 1gm0 n ALA 115 Cb 0.35 -1.32 -0.13 0.00 0.00 0.00 0.00 19.45 18.35 1gm0 n ALA 115 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1gm0 h THR 116 N 0.00 1.71 -0.79 0.00 2.02 0.04 -3.33 112.91 112.57 1gm0 h THR 116 Ca 0.00 -2.31 0.10 0.00 0.77 0.00 0.00 66.41 64.97 1gm0 h THR 116 Cb 0.22 3.26 -0.07 0.00 -1.74 0.00 0.00 68.15 69.82 1gm0 h THR 116 CO 0.00 0.61 0.43 0.00 0.37 0.00 0.00 175.52 176.93 1gm0 h PHE 118 N 0.71 -1.40 -0.75 0.00 3.04 -1.29 -2.05 116.94 115.19 1gm0 h PHE 118 Ca 0.39 0.05 0.16 0.00 3.98 0.00 0.00 57.97 62.54 1gm0 h PHE 118 Cb 0.39 0.62 -0.10 0.00 2.56 0.00 0.00 35.95 39.42 1gm0 h PHE 118 CO -0.08 -0.48 0.24 -0.22 -2.02 0.00 0.00 178.31 175.75 1gm0 h LYS 119 N -0.52 0.33 -0.77 1.11 3.64 -1.62 -0.31 116.57 118.44 1gm0 h LYS 119 Ca 0.02 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1gm0 h LYS 119 Cb 0.60 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.29 1gm0 h LYS 119 CO -0.37 0.22 0.49 0.00 -2.27 0.00 0.00 179.45 177.52 1gm0 h ALA 120 N 1.59 1.01 -0.04 5.00 0.00 -1.15 -2.39 119.26 123.28 1gm0 h ALA 120 Ca 0.42 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 55.12 1gm0 h ALA 120 Cb 0.70 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1gm0 h ALA 120 CO -0.47 0.29 -0.78 0.93 0.00 0.00 0.00 179.25 179.22 1gm0 h GLU 121 N 0.95 0.33 -0.73 0.00 4.39 -0.42 -1.86 114.58 117.23 1gm0 h GLU 121 Ca 0.31 -0.30 0.14 0.00 0.34 0.00 0.00 59.36 59.85 1gm0 h GLU 121 Cb 0.02 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.69 1gm0 h GLU 121 CO -0.11 0.96 0.49 0.82 -1.16 0.00 0.00 179.01 180.01 1gm0 h ILE 122 N 0.21 0.81 0.00 3.13 2.04 -1.17 0.73 117.51 123.27 1gm0 h ILE 122 Ca -0.04 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1gm0 h ILE 122 Cb 1.37 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1gm0 h ILE 122 CO 0.13 0.08 0.00 1.57 0.00 0.00 0.00 178.15 179.93 1gm0 n HIS 123 N -4.48 0.00 -0.06 1.37 -0.00 -0.70 -1.93 115.22 109.42 1gm0 n HIS 123 Ca 0.14 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.30 1gm0 n HIS 123 Cb 0.50 -0.30 -0.14 0.00 -0.12 0.00 0.00 29.99 29.94 1gm0 n HIS 123 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1gm0 n LYS 124 N -1.30 0.97 -0.82 1.57 5.02 0.18 -5.03 118.16 118.75 1gm0 n LYS 124 Ca 0.07 -0.07 -0.31 0.00 -2.02 0.00 0.00 58.31 55.98 1gm0 n LYS 124 Cb 0.12 -1.44 0.15 0.00 -0.02 0.00 0.00 35.03 33.84 1gm0 n LYS 124 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1gm0 s LEU 125 N -4.92 2.84 0.00 -0.35 1.43 -0.75 -4.93 118.68 112.01 1gm0 s LEU 125 Ca -0.08 2.09 0.22 0.00 -1.03 0.00 0.00 54.13 55.34 1gm0 s LEU 125 Cb 0.08 -4.53 1.03 0.00 0.03 0.00 0.00 46.19 42.80 1gm0 s LEU 125 CO 0.73 -2.90 1.72 -3.20 0.23 0.00 0.00 176.35 172.94 1gm0 n ASN 126 N -4.09 0.00 -4.07 2.29 5.15 -1.26 -4.86 115.26 108.41 1gm0 n ASN 126 Ca 0.11 0.29 -0.10 0.00 -0.60 0.00 0.00 54.58 54.27 1gm0 n ASN 126 Cb 0.52 -0.42 -0.07 0.00 -0.53 0.00 0.00 39.78 39.29 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 -2.83 0.67 -0.24 1.20 1.48 -1.26 -5.15 118.94 112.80 1gm0 s TRP 127 Ca 0.15 -0.97 -0.02 0.00 -1.06 0.00 0.00 56.10 54.19 1gm0 s TRP 127 Cb 0.15 -0.11 0.08 0.00 -1.16 0.00 0.00 33.47 32.43 1gm0 s TRP 127 CO 0.38 -0.85 0.06 0.00 -4.06 0.00 0.00 176.95 172.49 1gm0 s ALA 128 N -4.07 1.15 0.72 2.67 0.00 -1.26 -4.87 121.76 116.10 1gm0 s ALA 128 Ca 0.28 -1.04 -0.15 0.00 0.00 0.00 0.00 51.96 51.05 1gm0 s ALA 128 Cb 0.02 -1.34 0.03 0.00 0.00 0.00 0.00 23.12 21.84 1gm0 s ALA 128 CO 0.10 -1.37 1.20 -1.25 0.00 0.00 0.00 175.76 174.44 1gm0 s PRO 129 N 1.80 2.22 0.97 0.00 0.05 -1.26 -5.03 135.00 133.75 1gm0 s PRO 129 Ca 0.03 1.74 -0.12 0.00 0.05 0.00 0.00 61.00 62.71 1gm0 s PRO 129 Cb -0.17 -1.84 0.17 0.00 0.05 0.00 0.00 34.50 32.71 1gm0 s PRO 129 CO -0.16 -1.77 1.09 -1.12 0.05 0.00 0.00 177.00 175.09 1gm0 s SER 130 N -2.04 2.71 0.13 6.66 0.01 -1.26 -4.77 113.70 115.14 1gm0 s SER 130 Ca 0.74 1.61 -0.15 0.00 1.31 0.00 0.00 55.95 59.46 1gm0 s SER 130 Cb -0.29 -2.26 -0.01 0.00 0.21 0.00 0.00 66.02 63.67 1gm0 s SER 130 CO 0.44 -3.14 1.60 0.24 0.41 0.00 0.00 173.24 172.80 1gm0 h MET 131 N -1.89 0.70 -0.53 12.44 2.86 -1.98 0.35 114.93 126.88 1gm0 h MET 131 Ca -0.52 -0.20 0.06 0.00 -2.06 0.00 0.00 59.70 56.99 1gm0 h MET 131 Cb 1.30 -0.08 -0.09 0.00 0.06 0.00 0.00 31.60 32.79 1gm0 h MET 131 CO 0.51 0.75 -0.55 0.38 1.06 0.00 0.00 176.91 179.06 1gm0 h ASP 132 N 0.55 -1.88 0.64 1.22 2.03 -1.97 -0.09 116.42 116.92 1gm0 h ASP 132 Ca 0.12 0.26 -0.03 0.00 -0.73 0.00 0.00 57.03 56.66 1gm0 h ASP 132 Cb 0.40 0.79 -0.01 0.00 -0.83 0.00 0.00 39.33 39.68 1gm0 h ASP 132 CO 0.01 -0.37 -0.46 0.58 -1.03 0.00 0.00 179.24 177.98 1gm0 h VAL 133 N -0.31 0.00 0.46 4.15 2.07 -1.85 0.11 116.25 120.88 1gm0 h VAL 133 Ca 0.10 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.60 1gm0 h VAL 133 Cb 0.56 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1gm0 h VAL 133 CO -0.67 0.00 -0.22 0.00 0.02 0.00 0.00 177.57 176.70 1gm0 h ALA 134 N -1.16 -0.62 -0.19 1.67 0.00 -0.83 -0.59 119.26 117.54 1gm0 h ALA 134 Ca -0.09 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1gm0 h ALA 134 Cb 0.86 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1gm0 h ALA 134 CO 0.05 -0.80 -0.16 0.28 0.00 0.00 0.00 179.25 178.62 1gm0 h VAL 135 N -0.71 1.21 -0.64 0.00 2.07 -1.12 -2.76 116.25 114.30 1gm0 h VAL 135 Ca -0.06 -0.93 0.06 0.00 0.82 0.00 0.00 66.70 66.58 1gm0 h VAL 135 Cb 0.52 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.48 1gm0 h VAL 135 CO 0.10 0.29 0.34 1.23 0.02 0.00 0.00 177.57 179.56 1gm0 h GLY 136 N 0.85 0.92 0.39 2.17 0.00 0.15 -2.45 103.07 105.11 1gm0 h GLY 136 Ca 0.06 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 1gm0 h GLY 136 CO 0.03 0.14 -0.16 0.83 0.00 0.00 0.00 176.54 177.38 1gm0 h GLU 137 N 0.64 -0.43 -0.54 4.80 4.39 -0.88 -2.24 114.58 120.33 1gm0 h GLU 137 Ca 0.29 0.03 0.11 0.00 0.34 0.00 0.00 59.36 60.13 1gm0 h GLU 137 Cb 0.19 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 1gm0 h GLU 137 CO -0.18 -0.19 0.37 0.97 -1.16 0.00 0.00 179.01 178.81 1gm0 h ILE 138 N -1.06 0.84 -0.12 3.13 2.10 -1.52 0.19 117.51 121.07 1gm0 h ILE 138 Ca -0.05 -0.08 -0.20 0.00 1.08 0.00 0.00 64.86 65.62 1gm0 h ILE 138 Cb 0.43 0.59 0.00 0.00 -1.09 0.00 0.00 36.82 36.75 1gm0 h ILE 138 CO 0.07 0.04 -0.74 -0.07 -1.08 0.00 0.00 178.15 176.38 1gm0 h LEU 139 N 0.23 0.68 0.00 2.19 3.38 -1.48 0.17 115.31 120.48 1gm0 h LEU 139 Ca 0.25 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1gm0 h LEU 139 Cb 0.69 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1gm0 h LEU 139 CO -0.05 1.21 0.04 0.00 0.09 0.00 0.00 178.44 179.73 1gm0 n ALA 140 N -2.55 1.02 0.07 1.53 0.00 0.65 -4.15 120.51 117.08 1gm0 n ALA 140 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1gm0 n ALA 140 Cb 0.72 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.28 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 -1.30 0.00 0.00 0.00 1.02 -1.06 -0.67 120.64 118.62 1gm0 n GLU 141 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1gm0 n GLU 141 Cb 0.04 -0.38 0.01 0.00 -0.02 0.00 0.00 31.44 31.08 1gm0 n GLU 141 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59