#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 4.39 -0.39 -1.46 0.00 -1.26 -5.02 119.66 115.92 1gm0 s GLN 2 Ca 0.00 1.19 0.12 0.00 -0.00 0.00 0.00 55.36 56.67 1gm0 s GLN 2 Cb 0.00 -2.51 0.36 0.00 0.00 0.00 0.00 33.01 30.86 1gm0 s GLN 2 CO 0.00 0.14 0.79 0.39 0.00 0.00 0.00 175.29 176.61 1gm0 n GLU 3 N -0.01 1.34 -3.10 9.60 1.02 -1.26 -4.83 120.64 123.40 1gm0 n GLU 3 Ca 0.04 -3.58 -0.24 0.00 -0.02 0.00 0.00 57.16 53.35 1gm0 n GLU 3 Cb 0.52 -1.74 -0.05 0.00 -0.02 0.00 0.00 31.44 30.16 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 0.16 1.75 -2.80 2.62 0.31 -1.26 -4.85 118.33 114.25 1gm0 n VAL 4 Ca 0.24 -5.13 -0.19 0.00 -0.01 0.00 0.00 64.34 59.26 1gm0 n VAL 4 Cb 0.64 -1.22 0.02 0.00 -0.91 0.00 0.00 33.84 32.38 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 0.19 -3.68 -1.99 5.55 2.81 -1.26 -4.99 117.12 113.75 1gm0 n MET 5 Ca 0.28 0.79 -0.29 0.00 -1.81 0.00 0.00 57.70 56.68 1gm0 n MET 5 Cb 0.48 -5.35 0.12 0.00 -0.71 0.00 0.00 33.22 27.77 1gm0 n MET 5 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1gm0 s LYS 6 N -5.41 1.51 0.65 0.03 -0.14 -1.26 -5.04 119.74 110.08 1gm0 s LYS 6 Ca 0.21 -0.19 -0.17 0.00 -1.36 0.00 0.00 55.97 54.46 1gm0 s LYS 6 Cb -0.09 -1.96 -0.03 0.00 -1.68 0.00 0.00 37.83 34.07 1gm0 s LYS 6 CO 0.26 -1.83 0.95 0.27 -0.76 0.00 0.00 175.35 174.23 1gm0 n ASN 7 N -3.40 0.58 -2.50 2.83 6.94 -1.26 -4.50 115.26 113.94 1gm0 n ASN 7 Ca 0.11 0.74 -0.02 0.00 -0.02 0.00 0.00 54.58 55.40 1gm0 n ASN 7 Cb 0.60 -1.39 -0.01 0.00 -2.36 0.00 0.00 39.78 36.62 1gm0 n ASN 7 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 1gm0 n LEU 8 N -1.09 -4.65 -0.03 -4.53 -0.00 -1.26 -4.96 117.00 100.48 1gm0 n LEU 8 Ca 0.14 1.93 -0.15 0.00 -0.00 0.00 0.00 56.01 57.92 1gm0 n LEU 8 Cb 0.48 -2.54 -0.09 0.00 -0.00 0.00 0.00 43.42 41.27 1gm0 n LEU 8 CO 0.49 -2.93 0.41 -1.28 -0.00 0.00 0.00 177.39 174.07 1gm0 h SER 9 N 4.36 0.45 -2.99 1.96 0.87 -1.99 -3.46 113.55 112.75 1gm0 h SER 9 Ca -0.16 -0.66 -0.57 0.00 -1.23 0.00 0.00 61.79 59.17 1gm0 h SER 9 Cb 0.37 -0.13 0.09 0.00 -0.44 0.00 0.00 62.40 62.28 1gm0 h SER 9 CO 0.00 1.04 0.63 0.18 -0.53 0.00 0.00 176.83 178.15 1gm0 n LEU 10 N -4.37 3.48 -2.56 2.23 4.77 -1.26 -4.83 117.00 114.47 1gm0 n LEU 10 Ca -0.08 1.16 -0.18 0.00 -0.03 0.00 0.00 56.01 56.88 1gm0 n LEU 10 Cb 0.54 -1.48 -0.09 0.00 -2.33 0.00 0.00 43.42 40.06 1gm0 n LEU 10 CO 0.43 -0.37 2.02 -3.20 -1.33 0.00 0.00 177.39 174.94 1gm0 n ASN 11 N 1.72 5.35 -0.03 -1.43 2.85 0.06 -4.58 115.26 119.19 1gm0 n ASN 11 Ca 0.09 -2.36 0.00 0.00 -0.11 0.00 0.00 54.58 52.20 1gm0 n ASN 11 Cb 0.34 -1.22 0.30 0.00 1.24 0.00 0.00 39.78 40.43 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 4.39 0.61 -0.47 1.20 0.04 -1.88 -2.80 116.94 118.05 1gm0 h PHE 12 Ca 0.37 -0.04 0.02 0.00 2.80 0.00 0.00 57.97 61.12 1gm0 h PHE 12 Cb 0.82 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.76 1gm0 h PHE 12 CO 1.75 0.53 0.28 0.78 -0.60 0.00 0.00 178.31 181.06 1gm0 h GLY 13 N 0.82 0.66 0.53 -1.45 0.00 -1.96 0.19 103.07 101.86 1gm0 h GLY 13 Ca 0.14 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 1gm0 h GLY 13 CO -0.00 0.19 -0.02 0.50 0.00 0.00 0.00 176.54 177.21 1gm0 h LYS 14 N 0.57 -0.06 -0.72 4.80 1.79 -1.96 -2.43 116.57 118.56 1gm0 h LYS 14 Ca 0.18 0.00 0.10 0.00 -2.18 0.00 0.00 60.65 58.76 1gm0 h LYS 14 Cb -0.00 0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 30.58 1gm0 h LYS 14 CO -0.08 0.39 0.35 0.00 -1.08 0.00 0.00 179.45 179.03 1gm0 h ALA 15 N 0.39 1.01 -0.80 3.86 0.00 -1.20 -1.03 119.26 121.50 1gm0 h ALA 15 Ca -0.01 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1gm0 h ALA 15 Cb 0.47 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1gm0 h ALA 15 CO 0.01 -0.08 0.38 -0.07 0.00 0.00 0.00 179.25 179.49 1gm0 h LEU 16 N 0.57 1.05 -2.46 0.00 3.38 -0.68 0.14 115.31 117.31 1gm0 h LEU 16 Ca 0.37 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1gm0 h LEU 16 Cb 0.43 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1gm0 h LEU 16 CO -0.30 0.89 -0.01 -0.78 0.09 0.00 0.00 178.44 178.34 1gm0 h ASP 17 N 1.13 0.00 0.19 -0.43 3.58 -0.68 -1.94 116.42 118.27 1gm0 h ASP 17 Ca 0.27 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.38 1gm0 h ASP 17 Cb 0.12 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.12 1gm0 h ASP 17 CO -0.03 0.01 -2.09 -0.62 -2.88 0.00 0.00 179.24 173.63 1gm0 n GLU 18 N -3.14 0.68 0.19 0.28 1.02 -0.81 -4.48 120.64 114.37 1gm0 n GLU 18 Ca -0.02 0.19 0.05 0.00 -0.02 0.00 0.00 57.16 57.36 1gm0 n GLU 18 Cb 0.15 -1.66 0.35 0.00 -0.02 0.00 0.00 31.44 30.27 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 0.00 0.15 -0.49 0.00 -0.00 -1.64 -2.93 116.57 111.66 1gm0 h LYS 20 Ca -0.00 -0.07 -0.05 0.00 -0.00 0.00 0.00 60.65 60.53 1gm0 h LYS 20 Cb 0.85 -0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.06 1gm0 h LYS 20 CO 0.05 0.53 0.12 0.87 -0.00 0.00 0.00 179.45 181.01 1gm0 h LYS 21 N 0.13 0.78 -0.86 0.07 1.57 -1.32 0.11 116.57 117.05 1gm0 h LYS 21 Ca 0.01 -0.19 0.12 0.00 -1.87 0.00 0.00 60.65 58.72 1gm0 h LYS 21 Cb 0.76 -0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.88 1gm0 h LYS 21 CO 0.06 0.76 0.48 0.93 -0.57 0.00 0.00 179.45 181.12 1gm0 h GLU 22 N 0.67 0.73 -0.18 3.15 5.08 -1.38 -2.38 114.58 120.26 1gm0 h GLU 22 Ca 0.15 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1gm0 h GLU 22 Cb 0.34 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1gm0 h GLU 22 CO 0.00 0.48 0.00 -1.33 -1.00 0.00 0.00 179.01 177.16 1gm0 n MET 23 N -4.78 1.69 -4.00 2.33 0.00 -1.17 -4.98 117.12 106.22 1gm0 n MET 23 Ca 0.16 -1.66 -0.33 0.00 0.00 0.00 0.00 57.70 55.88 1gm0 n MET 23 Cb 0.36 -1.28 -0.03 0.00 0.00 0.00 0.00 33.22 32.26 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 0.73 -0.65 -0.45 2.03 5.66 0.20 -4.99 114.28 116.81 1gm0 n THR 24 Ca 0.10 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.82 1gm0 n THR 24 Cb 0.39 -1.24 0.24 0.00 -1.55 0.00 0.00 70.33 68.16 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 -4.00 -1.51 -4.77 1.09 4.77 -0.13 -4.99 117.00 107.46 1gm0 n LEU 25 Ca 0.07 -0.41 -0.30 0.00 -0.03 0.00 0.00 56.01 55.34 1gm0 n LEU 25 Cb 0.49 -1.05 0.11 0.00 -2.33 0.00 0.00 43.42 40.65 1gm0 n LEU 25 CO 0.75 -3.65 0.69 0.42 -1.33 0.00 0.00 177.39 174.28 1gm0 s THR 26 N -2.23 2.81 0.15 -5.08 -4.23 -1.26 -4.82 115.64 100.98 1gm0 s THR 26 Ca 0.61 0.26 -0.06 0.00 -1.18 0.00 0.00 61.69 61.33 1gm0 s THR 26 Cb -0.16 -2.90 -0.12 0.00 1.34 0.00 0.00 72.50 70.66 1gm0 s THR 26 CO 0.59 -0.34 1.40 -0.78 -0.54 0.00 0.00 174.62 174.94 1gm0 h ASP 27 N -1.32 0.67 0.21 3.99 3.58 -1.99 -3.30 116.42 118.27 1gm0 h ASP 27 Ca -0.48 -0.43 0.00 0.00 0.42 0.00 0.00 57.03 56.54 1gm0 h ASP 27 Cb 1.28 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 42.13 1gm0 h ASP 27 CO 0.57 1.19 0.00 0.00 -2.88 0.00 0.00 179.24 178.12 1gm0 n ALA 28 N -2.55 1.46 -0.05 -0.78 0.00 -1.26 -3.31 120.51 114.03 1gm0 n ALA 28 Ca -0.05 -0.03 0.24 0.00 0.00 0.00 0.00 53.44 53.59 1gm0 n ALA 28 Cb 0.71 -1.13 0.72 0.00 0.00 0.00 0.00 19.45 19.75 1gm0 n ALA 28 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1gm0 h ILE 29 N 0.00 0.55 0.00 0.00 -0.00 -1.96 0.14 117.51 116.24 1gm0 h ILE 29 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.86 1gm0 h ILE 29 Cb 0.10 0.63 0.00 0.00 -0.00 0.00 0.00 36.82 37.55 1gm0 h ILE 29 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 178.15 174.95 1gm0 n ASN 30 N -4.13 0.69 -0.11 2.16 2.85 -1.21 -1.50 115.26 114.02 1gm0 n ASN 30 Ca 0.13 0.62 -0.22 0.00 -0.11 0.00 0.00 54.58 54.99 1gm0 n ASN 30 Cb 0.76 -0.78 -0.07 0.00 1.24 0.00 0.00 39.78 40.93 1gm0 n ASN 30 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1gm0 n GLU 31 N -2.20 0.46 -0.27 1.20 1.02 -0.56 -4.64 120.64 115.64 1gm0 n GLU 31 Ca 0.04 0.20 -0.06 0.00 -0.02 0.00 0.00 57.16 57.32 1gm0 n GLU 31 Cb 0.32 -1.27 0.05 0.00 -0.02 0.00 0.00 31.44 30.52 1gm0 n GLU 31 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1gm0 h ASP 32 N -0.78 1.01 -1.00 1.62 3.58 -0.73 0.05 116.42 120.17 1gm0 h ASP 32 Ca -0.52 -0.17 0.03 0.00 0.42 0.00 0.00 57.03 56.79 1gm0 h ASP 32 Cb 1.44 -0.26 -0.06 0.00 1.72 0.00 0.00 39.33 42.17 1gm0 h ASP 32 CO -0.32 0.91 0.65 0.15 -2.88 0.00 0.00 179.24 177.76 1gm0 h PHE 33 N 1.06 1.23 0.00 0.28 3.57 -1.50 -0.77 116.94 120.81 1gm0 h PHE 33 Ca 0.24 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.58 1gm0 h PHE 33 Cb 0.21 -0.41 -0.03 0.00 2.79 0.00 0.00 35.95 38.51 1gm0 h PHE 33 CO 0.02 0.72 -0.92 1.88 -2.23 0.00 0.00 178.31 177.78 1gm0 h TYR 34 N 1.28 0.00 0.00 0.41 -1.99 -1.61 -3.16 116.97 111.89 1gm0 h TYR 34 Ca 0.39 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 61.04 1gm0 h TYR 34 Cb -0.04 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.68 1gm0 h TYR 34 CO -0.00 0.92 -0.38 -0.91 -0.00 0.00 0.00 178.16 177.78 1gm0 h ASN 35 N 0.00 0.00 -0.75 3.88 2.35 -0.40 -3.33 115.58 117.33 1gm0 h ASN 35 Ca -0.01 0.00 0.17 0.00 -0.55 0.00 0.00 56.30 55.91 1gm0 h ASN 35 Cb 1.66 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 39.91 1gm0 h ASN 35 CO 0.12 0.38 0.17 0.15 -1.65 0.00 0.00 177.43 176.60 1gm0 h PHE 36 N 0.00 0.25 0.00 1.19 3.57 -1.12 -1.11 116.94 119.72 1gm0 h PHE 36 Ca -0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1gm0 h PHE 36 Cb 0.76 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.50 1gm0 h PHE 36 CO 0.00 -0.11 0.00 0.91 -2.23 0.00 0.00 178.31 176.88 1gm0 n TRP 37 N -5.18 0.44 -1.68 0.41 8.01 -1.25 -4.80 117.44 113.40 1gm0 n TRP 37 Ca 0.15 0.15 -0.46 0.00 -1.31 0.00 0.00 57.50 56.03 1gm0 n TRP 37 Cb 0.48 -0.75 -0.04 0.00 -2.01 0.00 0.00 31.31 28.99 1gm0 n TRP 37 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1gm0 n LYS 38 N -1.88 2.25 -1.74 -0.99 5.02 -0.42 -4.91 118.16 115.48 1gm0 n LYS 38 Ca 0.04 0.81 -0.38 0.00 -2.02 0.00 0.00 58.31 56.76 1gm0 n LYS 38 Cb 0.28 -2.61 0.05 0.00 -0.02 0.00 0.00 35.03 32.73 1gm0 n LYS 38 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1gm0 n GLU 39 N 4.05 1.54 0.00 1.97 4.71 -1.26 -2.77 120.64 128.88 1gm0 n GLU 39 Ca 0.18 0.57 0.00 0.00 -0.01 0.00 0.00 57.16 57.90 1gm0 n GLU 39 Cb 0.30 -2.56 0.00 0.00 -1.01 0.00 0.00 31.44 28.17 1gm0 n GLU 39 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1gm0 n GLY 40 N 0.81 2.15 3.76 0.62 0.00 -1.26 -4.98 105.19 106.28 1gm0 n GLY 40 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.33 2.46 -0.16 1.61 6.14 -1.11 -5.05 117.35 120.91 1gm0 s TYR 41 Ca 0.00 1.53 -0.02 0.00 0.64 0.00 0.00 57.07 59.22 1gm0 s TYR 41 Cb 0.00 -3.40 0.05 0.00 0.42 0.00 0.00 41.96 39.03 1gm0 s TYR 41 CO 0.00 -2.03 0.01 -2.00 0.64 0.00 0.00 175.55 172.18 1gm0 s GLU 42 N -3.42 0.74 -0.35 4.97 2.12 -1.26 -4.92 118.70 116.58 1gm0 s GLU 42 Ca 0.75 -0.29 0.01 0.00 0.36 0.00 0.00 54.97 55.81 1gm0 s GLU 42 Cb -0.28 -1.78 0.10 0.00 0.26 0.00 0.00 34.13 32.42 1gm0 s GLU 42 CO 0.33 -0.52 0.08 0.42 -0.54 0.00 0.00 175.26 175.03 1gm0 s ILE 43 N 1.86 2.66 -0.17 -3.70 1.09 -1.26 -4.96 121.20 116.72 1gm0 s ILE 43 Ca 0.01 -2.11 0.15 0.00 -1.10 0.00 0.00 60.65 57.60 1gm0 s ILE 43 Cb -0.15 -2.84 0.36 0.00 -1.06 0.00 0.00 42.46 38.76 1gm0 s ILE 43 CO -0.07 -0.54 1.19 0.29 -0.10 0.00 0.00 174.94 175.71 1gm0 n LYS 44 N 4.41 1.45 0.00 2.79 4.76 -1.26 -5.04 118.16 125.28 1gm0 n LYS 44 Ca -0.01 -2.92 0.00 0.00 -2.87 0.00 0.00 58.31 52.51 1gm0 n LYS 44 Cb 0.42 -1.56 0.00 0.00 -1.84 0.00 0.00 35.03 32.04 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 -1.28 -0.34 -0.11 4.39 5.15 -1.26 -5.05 115.26 116.77 1gm0 n ASN 45 Ca 0.18 -0.63 -0.19 0.00 -0.60 0.00 0.00 54.58 53.33 1gm0 n ASN 45 Cb 0.67 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.86 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 -0.97 0.52 0.18 1.20 1.74 -1.26 -4.64 116.66 113.43 1gm0 n ARG 46 Ca 0.00 0.22 0.17 0.00 -0.77 0.00 0.00 57.85 57.47 1gm0 n ARG 46 Cb 0.00 -1.39 0.68 0.00 -1.02 0.00 0.00 32.46 30.73 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 -0.92 0.00 0.35 5.56 3.07 -1.96 0.12 114.58 120.79 1gm0 h GLU 47 Ca -0.38 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.47 1gm0 h GLU 47 Cb 1.29 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.20 1gm0 h GLU 47 CO -0.23 0.00 -0.28 1.15 -1.40 0.00 0.00 179.01 178.25 1gm0 h THR 48 N 0.00 0.00 -0.38 1.13 2.02 -1.95 -0.82 112.91 112.90 1gm0 h THR 48 Ca 0.13 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.25 1gm0 h THR 48 Cb 1.18 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 1gm0 h THR 48 CO -0.00 0.00 -0.01 1.23 0.37 0.00 0.00 175.52 177.10 1gm0 h GLY 49 N -0.61 0.66 0.41 2.16 0.00 -0.96 -1.48 103.07 103.25 1gm0 h GLY 49 Ca -0.05 -0.41 0.04 0.00 0.00 0.00 0.00 47.33 46.91 1gm0 h GLY 49 CO 0.00 0.39 -0.21 0.00 0.00 0.00 0.00 176.54 176.71 1gm0 h ALA 51 N 0.65 0.78 0.31 0.00 0.00 -0.34 0.54 119.26 121.20 1gm0 h ALA 51 Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1gm0 h ALA 51 Cb 0.42 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1gm0 h ALA 51 CO -0.25 0.26 -0.34 0.82 0.00 0.00 0.00 179.25 179.75 1gm0 h ILE 52 N 0.83 0.30 -0.80 0.00 2.04 -1.12 0.31 117.51 119.08 1gm0 h ILE 52 Ca 0.22 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.08 1gm0 h ILE 52 Cb -0.02 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.33 1gm0 h ILE 52 CO -0.04 0.00 0.49 -0.03 0.00 0.00 0.00 178.15 178.57 1gm0 h MET 53 N -0.68 1.08 -0.32 2.37 4.05 -0.45 -0.25 114.93 120.73 1gm0 h MET 53 Ca -0.01 -0.09 -0.01 0.00 -0.28 0.00 0.00 59.70 59.30 1gm0 h MET 53 Cb 0.63 -0.23 -0.01 0.00 -0.80 0.00 0.00 31.60 31.18 1gm0 h MET 53 CO -0.08 0.76 0.17 0.00 0.23 0.00 0.00 176.91 177.98 1gm0 h LEU 55 N 0.39 0.00 -2.39 0.00 3.38 0.23 -2.60 115.31 114.32 1gm0 h LEU 55 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1gm0 h LEU 55 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1gm0 h LEU 55 CO -0.02 0.00 0.00 0.77 0.09 0.00 0.00 178.44 179.28 1gm0 h SER 56 N 0.00 0.00 -0.22 -0.43 4.64 -0.81 -1.23 113.55 115.50 1gm0 h SER 56 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1gm0 h SER 56 Cb 0.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 1gm0 h SER 56 CO 0.00 0.00 -0.02 1.07 -0.87 0.00 0.00 176.83 177.01 1gm0 n THR 57 N -2.85 2.26 -0.48 2.95 5.66 -0.98 -4.54 114.28 116.30 1gm0 n THR 57 Ca -0.02 -2.13 0.05 0.00 -3.05 0.00 0.00 64.05 58.90 1gm0 n THR 57 Cb 0.09 -0.26 0.10 0.00 -1.55 0.00 0.00 70.33 68.71 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 -0.81 2.45 -0.21 1.09 4.76 -0.46 -4.81 118.16 120.17 1gm0 n LYS 58 Ca 0.22 -2.09 0.17 0.00 -2.87 0.00 0.00 58.31 53.75 1gm0 n LYS 58 Cb 0.87 -1.30 0.51 0.00 -1.84 0.00 0.00 35.03 33.26 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 0.56 0.40 -1.71 -0.35 3.38 -1.80 0.43 115.31 116.23 1gm0 h LEU 59 Ca 0.00 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1gm0 h LEU 59 Cb 0.81 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1gm0 h LEU 59 CO 0.03 0.19 -0.18 -0.55 0.09 0.00 0.00 178.44 178.02 1gm0 h ASN 60 N 0.42 0.00 0.01 -0.43 7.08 -1.86 0.13 115.58 120.91 1gm0 h ASN 60 Ca 0.42 0.00 -0.13 0.00 -3.08 0.00 0.00 56.30 53.51 1gm0 h ASN 60 Cb 1.01 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 37.26 1gm0 h ASN 60 CO -0.15 0.18 -0.50 0.24 -2.08 0.00 0.00 177.43 175.12 1gm0 h MET 61 N 0.00 0.33 -0.01 4.14 2.86 -1.30 -3.37 114.93 117.58 1gm0 h MET 61 Ca -0.00 -0.36 -0.01 0.00 -2.06 0.00 0.00 59.70 57.26 1gm0 h MET 61 Cb 0.35 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.12 1gm0 h MET 61 CO 0.02 1.06 -0.04 -0.07 1.06 0.00 0.00 176.91 178.94 1gm0 h LEU 62 N -0.24 0.05 -8.07 1.22 3.38 -1.12 -3.40 115.31 107.12 1gm0 h LEU 62 Ca -0.06 -0.68 -0.69 0.00 0.09 0.00 0.00 57.88 56.54 1gm0 h LEU 62 Cb 1.24 -0.01 -0.32 0.00 0.09 0.00 0.00 40.66 41.66 1gm0 h LEU 62 CO 0.10 0.72 -0.68 -0.62 0.09 0.00 0.00 178.44 178.05 1gm0 s ASP 63 N -5.95 5.00 0.33 -0.43 -1.08 -0.03 -0.76 116.67 113.74 1gm0 s ASP 63 Ca -0.17 -1.26 0.09 0.00 -0.52 0.00 0.00 52.55 50.69 1gm0 s ASP 63 Cb 0.00 -1.75 0.59 0.00 -1.46 0.00 0.00 42.92 40.30 1gm0 s ASP 63 CO 0.69 -0.28 1.78 1.55 0.52 0.00 0.00 175.17 179.43 1gm0 h PRO 64 N 8.05 0.17 0.00 4.34 0.13 -1.78 -2.60 132.00 140.32 1gm0 h PRO 64 Ca -0.21 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1gm0 h PRO 64 Cb 1.07 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1gm0 h PRO 64 CO 0.55 0.50 0.00 0.39 -0.23 0.00 0.00 178.00 179.21 1gm0 n GLU 65 N -4.09 0.01 -0.93 0.86 1.02 -1.26 -4.93 120.64 111.32 1gm0 n GLU 65 Ca -0.01 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1gm0 n GLU 65 Cb 0.42 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 1gm0 n GLU 65 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1gm0 n GLY 66 N 0.84 0.79 0.17 0.62 0.00 -0.98 -4.93 105.19 101.71 1gm0 n GLY 66 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 1gm0 n GLY 66 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1gm0 h ASN 67 N 0.00 -0.38 -1.04 1.61 7.08 -1.92 -3.35 115.58 117.58 1gm0 h ASN 67 Ca 0.00 0.12 -0.28 0.00 -3.08 0.00 0.00 56.30 53.06 1gm0 h ASN 67 Cb 0.00 0.24 -0.02 0.00 -2.08 0.00 0.00 38.32 36.46 1gm0 h ASN 67 CO 0.00 -0.13 0.83 -0.22 -2.08 0.00 0.00 177.43 175.82 1gm0 s LEU 68 N -10.59 3.15 0.49 6.14 2.96 -1.26 -4.76 118.68 114.81 1gm0 s LEU 68 Ca -0.14 0.13 -0.03 0.00 -0.22 0.00 0.00 54.13 53.87 1gm0 s LEU 68 Cb 0.14 -2.54 -0.01 0.00 0.50 0.00 0.00 46.19 44.28 1gm0 s LEU 68 CO 0.70 -3.06 0.76 -1.00 -1.32 0.00 0.00 176.35 172.43 1gm0 s HIS 69 N 11.84 3.36 -0.06 5.38 3.76 -1.15 -4.78 115.29 133.64 1gm0 s HIS 69 Ca 0.82 0.53 -0.29 0.00 -0.15 0.00 0.00 55.06 55.97 1gm0 s HIS 69 Cb -0.12 -2.39 -0.07 0.00 1.11 0.00 0.00 32.58 31.11 1gm0 s HIS 69 CO 0.12 -0.43 1.96 -1.58 -0.85 0.00 0.00 174.74 173.96 1gm0 s HIS 70 N -2.71 1.41 0.00 1.40 2.46 -1.26 -2.36 115.29 114.22 1gm0 s HIS 70 Ca 0.49 -0.06 0.00 0.00 0.47 0.00 0.00 55.06 55.96 1gm0 s HIS 70 Cb -0.10 -4.11 0.00 0.00 -0.13 0.00 0.00 32.58 28.24 1gm0 s HIS 70 CO 0.42 -4.78 0.00 0.41 -2.47 0.00 0.00 174.74 168.32 1gm0 n GLY 71 N 4.80 0.55 2.46 1.59 0.00 0.44 -4.93 105.19 110.10 1gm0 n GLY 71 Ca 0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.49 2.04 0.00 1.61 3.84 -1.00 -4.97 114.94 113.98 1gm0 s ASN 72 Ca 0.00 -2.94 0.14 0.00 0.21 0.00 0.00 52.86 50.27 1gm0 s ASN 72 Cb 0.00 -0.54 0.34 0.00 -0.55 0.00 0.00 41.25 40.50 1gm0 s ASN 72 CO 0.00 -0.19 1.26 0.00 -2.79 0.00 0.00 177.10 175.37 1gm0 n ALA 73 N 3.03 2.28 0.13 1.71 0.00 -1.26 -2.95 120.51 123.45 1gm0 n ALA 73 Ca 0.25 -1.08 -0.01 0.00 0.00 0.00 0.00 53.44 52.60 1gm0 n ALA 73 Cb 0.44 -0.55 0.16 0.00 0.00 0.00 0.00 19.45 19.50 1gm0 n ALA 73 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1gm0 h MET 74 N 2.66 0.00 0.02 0.00 2.86 -1.93 0.13 114.93 118.68 1gm0 h MET 74 Ca 0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1gm0 h MET 74 Cb 0.76 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.42 1gm0 h MET 74 CO 0.00 0.63 -0.01 0.93 1.06 0.00 0.00 176.91 179.52 1gm0 h GLU 75 N 0.00 -0.02 -0.88 1.72 4.39 -1.91 -1.06 114.58 116.81 1gm0 h GLU 75 Ca -0.01 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.77 1gm0 h GLU 75 Cb 1.12 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.71 1gm0 h GLU 75 CO 0.08 0.34 0.54 0.35 -1.16 0.00 0.00 179.01 179.16 1gm0 h PHE 76 N -0.39 0.98 -0.02 4.33 3.57 -1.71 -1.05 116.94 122.66 1gm0 h PHE 76 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1gm0 h PHE 76 Cb 0.37 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 1gm0 h PHE 76 CO 0.05 0.46 -0.01 0.00 -2.23 0.00 0.00 178.31 176.58 1gm0 h ALA 77 N 1.44 0.01 0.00 2.41 0.00 -0.73 -2.80 119.26 119.58 1gm0 h ALA 77 Ca 0.40 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 1gm0 h ALA 77 Cb 0.27 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1gm0 h ALA 77 CO -0.21 -0.50 -0.07 0.87 0.00 0.00 0.00 179.25 179.34 1gm0 h LYS 78 N -0.01 0.00 0.00 0.00 1.57 -0.11 -0.11 116.57 117.91 1gm0 h LYS 78 Ca 0.01 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1gm0 h LYS 78 Cb 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1gm0 h LYS 78 CO -0.02 0.07 -0.25 0.87 -0.57 0.00 0.00 179.45 179.54 1gm0 h LYS 79 N 0.00 0.00 -0.50 3.15 1.57 -0.96 -3.09 116.57 116.74 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 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1gm0 h LYS 79 CO 0.01 0.25 0.00 0.72 -0.57 0.00 0.00 179.45 179.86 1gm0 n HIS 80 N -4.20 0.93 -0.25 -1.35 8.25 -0.10 -4.94 115.22 113.56 1gm0 n HIS 80 Ca -0.02 -0.59 0.00 0.00 -0.26 0.00 0.00 57.72 56.85 1gm0 n HIS 80 Cb 0.31 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.29 1gm0 n HIS 80 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1gm0 n GLY 81 N 0.77 0.98 3.60 -1.41 0.00 -1.00 -4.79 105.19 103.33 1gm0 n GLY 81 Ca 0.20 0.00 -0.43 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 -2.69 3.10 1.22 4.61 0.00 -0.89 -4.97 121.76 122.14 1gm0 s ALA 82 Ca 0.00 -0.42 -0.20 0.00 0.00 0.00 0.00 51.96 51.34 1gm0 s ALA 82 Cb 0.00 -3.93 0.30 0.00 0.00 0.00 0.00 23.12 19.49 1gm0 s ALA 82 CO 0.00 -2.36 1.12 0.16 0.00 0.00 0.00 175.76 174.68 1gm0 s ASP 83 N 2.99 0.78 0.34 0.00 1.47 -1.26 -2.05 116.67 118.93 1gm0 s ASP 83 Ca 0.52 0.53 0.05 0.00 1.18 0.00 0.00 52.55 54.82 1gm0 s ASP 83 Cb -0.09 -0.70 0.61 0.00 -0.34 0.00 0.00 42.92 42.40 1gm0 s ASP 83 CO 0.31 -4.20 1.87 -0.08 0.68 0.00 0.00 175.17 173.76 1gm0 h GLU 84 N -2.64 0.49 -0.25 2.11 4.81 -1.96 0.19 114.58 117.33 1gm0 h GLU 84 Ca -0.43 -0.11 -0.17 0.00 -0.13 0.00 0.00 59.36 58.52 1gm0 h GLU 84 Cb 1.28 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1gm0 h GLU 84 CO 0.31 0.55 -0.49 1.15 -0.73 0.00 0.00 179.01 179.79 1gm0 h THR 85 N 0.47 1.29 0.14 0.32 2.02 -1.98 0.15 112.91 115.33 1gm0 h THR 85 Ca 0.10 -1.69 0.00 0.00 0.77 0.00 0.00 66.41 65.59 1gm0 h THR 85 Cb 0.36 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 1gm0 h THR 85 CO 0.01 0.54 -0.12 0.24 0.37 0.00 0.00 175.52 176.56 1gm0 h MET 86 N 0.53 -0.27 0.17 6.66 2.86 -1.86 0.20 114.93 123.21 1gm0 h MET 86 Ca 0.01 0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1gm0 h MET 86 Cb 1.10 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.80 1gm0 h MET 86 CO 0.11 -0.18 -0.25 0.00 1.06 0.00 0.00 176.91 177.65 1gm0 h ALA 87 N 0.55 -0.46 -0.32 6.32 0.00 -0.91 -2.55 119.26 121.89 1gm0 h ALA 87 Ca -0.00 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1gm0 h ALA 87 Cb 0.26 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1gm0 h ALA 87 CO -0.02 -0.80 0.22 0.37 0.00 0.00 0.00 179.25 179.02 1gm0 h GLN 88 N -0.48 0.31 0.40 0.00 5.75 -0.49 0.69 115.11 121.29 1gm0 h GLN 88 Ca 0.02 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1gm0 h GLN 88 Cb 0.49 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.94 1gm0 h GLN 88 CO -0.11 0.21 -0.36 1.96 -2.65 0.00 0.00 178.83 177.88 1gm0 h GLN 89 N 0.32 -0.74 -0.79 1.69 1.08 -0.70 -2.25 115.11 113.72 1gm0 h GLN 89 Ca 0.13 0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.35 1gm0 h GLN 89 Cb 0.12 0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 27.69 1gm0 h GLN 89 CO -0.03 -0.49 0.36 -0.07 -0.95 0.00 0.00 178.83 177.65 1gm0 h LEU 90 N -0.77 1.04 -0.34 1.46 3.38 -0.54 -2.23 115.31 117.31 1gm0 h LEU 90 Ca -0.03 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1gm0 h LEU 90 Cb 0.68 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1gm0 h LEU 90 CO -0.04 0.89 0.14 0.40 0.09 0.00 0.00 178.44 179.92 1gm0 h ILE 91 N 1.13 1.18 -0.83 1.22 2.04 -1.07 -1.03 117.51 120.15 1gm0 h ILE 91 Ca 0.27 -0.53 -0.03 0.00 1.00 0.00 0.00 64.86 65.57 1gm0 h ILE 91 Cb 0.14 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 1gm0 h ILE 91 CO -0.03 0.19 0.40 -0.78 0.00 0.00 0.00 178.15 177.93 1gm0 h ASP 92 N 0.40 1.08 -0.61 1.72 3.58 -1.14 -2.42 116.42 119.04 1gm0 h ASP 92 Ca 0.11 -0.13 0.01 0.00 0.42 0.00 0.00 57.03 57.44 1gm0 h ASP 92 Cb 0.16 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 40.90 1gm0 h ASP 92 CO -0.01 0.91 0.40 0.40 -2.88 0.00 0.00 179.24 178.06 1gm0 h ILE 93 N 1.18 1.14 -0.31 2.25 2.04 -1.04 0.20 117.51 122.97 1gm0 h ILE 93 Ca 0.28 -0.28 0.06 0.00 1.00 0.00 0.00 64.86 65.92 1gm0 h ILE 93 Cb 0.12 0.26 -0.05 0.00 -0.74 0.00 0.00 36.82 36.41 1gm0 h ILE 93 CO -0.04 0.15 -0.01 0.58 0.00 0.00 0.00 178.15 178.83 1gm0 h VAL 94 N 0.80 0.76 0.00 1.67 2.07 -0.71 0.16 116.25 121.00 1gm0 h VAL 94 Ca 0.23 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 67.66 1gm0 h VAL 94 Cb -0.07 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1gm0 h VAL 94 CO -0.06 0.01 -0.30 0.45 0.02 0.00 0.00 177.57 177.70 1gm0 h HIS 95 N 0.07 0.00 -0.16 1.57 3.86 -1.24 -0.14 115.15 119.11 1gm0 h HIS 95 Ca 0.15 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.19 1gm0 h HIS 95 Cb 0.21 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.67 1gm0 h HIS 95 CO -0.24 0.30 -0.61 0.78 0.86 0.00 0.00 177.93 179.02 1gm0 h GLY 96 N 1.79 0.60 1.63 2.45 0.00 0.46 -3.33 103.07 106.67 1gm0 h GLY 96 Ca -0.00 -0.74 -0.23 0.00 0.00 0.00 0.00 47.33 46.35 1gm0 h GLY 96 CO 0.04 0.66 -1.24 0.00 0.00 0.00 0.00 176.54 176.00 1gm0 h GLU 98 N 0.00 0.50 0.00 0.00 5.08 -1.16 -1.99 114.58 117.02 1gm0 h GLU 98 Ca -0.11 -0.03 -0.28 0.00 -1.00 0.00 0.00 59.36 57.94 1gm0 h GLU 98 Cb 1.84 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.93 1gm0 h GLU 98 CO 0.11 0.33 -2.29 1.63 -1.00 0.00 0.00 179.01 177.79 1gm0 n LYS 99 N -4.48 0.70 0.10 2.33 4.01 -1.18 -4.10 118.16 115.54 1gm0 n LYS 99 Ca 0.10 -0.06 -0.01 0.00 -0.51 0.00 0.00 58.31 57.84 1gm0 n LYS 99 Cb 0.31 -1.52 0.28 0.00 -0.51 0.00 0.00 35.03 33.60 1gm0 n LYS 99 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1gm0 h SER 100 N 0.00 0.24 -3.16 4.39 4.64 -1.37 -3.40 113.55 114.89 1gm0 h SER 100 Ca -0.41 -0.08 -0.56 0.00 -0.47 0.00 0.00 61.79 60.26 1gm0 h SER 100 Cb 1.94 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 63.93 1gm0 h SER 100 CO 0.02 0.55 0.66 -0.89 -0.87 0.00 0.00 176.83 176.31 1gm0 s THR 101 N -4.33 4.56 0.47 2.95 2.01 -0.75 -5.03 115.64 115.52 1gm0 s THR 101 Ca -0.05 1.85 -0.23 0.00 0.31 0.00 0.00 61.69 63.58 1gm0 s THR 101 Cb 0.14 -4.19 -0.07 0.00 0.01 0.00 0.00 72.50 68.39 1gm0 s THR 101 CO 0.76 -0.03 1.17 -2.16 -0.69 0.00 0.00 174.62 173.67 1gm0 s PRO 102 N 2.32 3.70 -0.90 4.92 0.04 -1.26 -4.83 135.00 138.99 1gm0 s PRO 102 Ca 0.51 1.78 -0.24 0.00 0.04 0.00 0.00 61.00 63.09 1gm0 s PRO 102 Cb -0.20 -2.37 -0.04 0.00 0.04 0.00 0.00 34.50 31.93 1gm0 s PRO 102 CO 0.18 -0.60 1.89 0.00 0.04 0.00 0.00 177.00 178.50 1gm0 s ALA 103 N -1.55 1.79 0.81 8.56 0.00 -1.26 -4.93 121.76 125.18 1gm0 s ALA 103 Ca 0.65 -1.56 -0.12 0.00 0.00 0.00 0.00 51.96 50.92 1gm0 s ALA 103 Cb -0.29 -4.54 0.08 0.00 0.00 0.00 0.00 23.12 18.37 1gm0 s ALA 103 CO 0.35 -4.66 1.17 1.21 0.00 0.00 0.00 175.76 173.83 1gm0 s ASN 104 N 7.69 3.72 0.42 0.00 2.47 -1.26 -4.95 114.94 123.04 1gm0 s ASN 104 Ca 0.67 2.23 0.10 0.00 0.42 0.00 0.00 52.86 56.28 1gm0 s ASN 104 Cb -0.06 -2.57 0.92 0.00 -1.45 0.00 0.00 41.25 38.08 1gm0 s ASN 104 CO -0.01 -2.58 2.01 -0.78 -3.72 0.00 0.00 177.10 172.03 1gm0 h ASP 105 N -1.03 0.25 -3.62 -4.21 3.58 -2.02 -3.42 116.42 105.95 1gm0 h ASP 105 Ca -0.45 -0.03 -0.69 0.00 0.42 0.00 0.00 57.03 56.28 1gm0 h ASP 105 Cb 1.28 -0.06 -0.25 0.00 1.72 0.00 0.00 39.33 42.01 1gm0 h ASP 105 CO 0.47 0.28 -0.58 -0.62 -2.88 0.00 0.00 179.24 175.91 1gm0 s ASP 106 N -6.86 5.40 0.26 2.28 -1.08 -1.26 -4.98 116.67 110.42 1gm0 s ASP 106 Ca -0.06 -0.80 -0.03 0.00 -0.52 0.00 0.00 52.55 51.14 1gm0 s ASP 106 Cb 0.16 -1.94 0.32 0.00 -1.46 0.00 0.00 42.92 40.00 1gm0 s ASP 106 CO 0.72 -0.26 1.76 0.50 0.52 0.00 0.00 175.17 178.41 1gm0 h LYS 107 N 8.31 0.84 0.56 4.34 1.63 -1.99 0.13 116.57 130.39 1gm0 h LYS 107 Ca -0.29 -0.21 -0.02 0.00 -0.85 0.00 0.00 60.65 59.28 1gm0 h LYS 107 Cb 1.12 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.63 1gm0 h LYS 107 CO 0.62 0.82 -0.45 0.00 -3.45 0.00 0.00 179.45 176.99 1gm0 h ILE 109 N -0.99 1.07 -0.20 0.00 2.04 -1.77 -0.74 117.51 116.92 1gm0 h ILE 109 Ca -0.07 -0.38 0.02 0.00 1.00 0.00 0.00 64.86 65.43 1gm0 h ILE 109 Cb 0.83 -0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 1gm0 h ILE 109 CO 0.00 0.20 0.06 -0.25 0.00 0.00 0.00 178.15 178.16 1gm0 h TRP 110 N 1.11 0.10 -0.53 1.37 7.01 -0.71 -2.10 115.95 122.20 1gm0 h TRP 110 Ca 0.42 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.43 1gm0 h TRP 110 Cb 0.19 -0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.20 1gm0 h TRP 110 CO -0.01 0.04 0.31 1.15 -2.79 0.00 0.00 178.44 177.14 1gm0 h THR 111 N 0.14 1.16 -0.04 2.65 2.02 0.18 0.79 112.91 119.81 1gm0 h THR 111 Ca 0.09 -0.37 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 1gm0 h THR 111 Cb 0.07 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 66.90 1gm0 h THR 111 CO -0.10 0.17 0.02 0.25 0.37 0.00 0.00 175.52 176.23 1gm0 h LEU 112 N 0.73 0.05 -0.10 2.58 7.12 -0.95 -0.77 115.31 123.96 1gm0 h LEU 112 Ca 0.19 -0.05 0.02 0.00 0.13 0.00 0.00 57.88 58.18 1gm0 h LEU 112 Cb -0.01 -0.01 -0.05 0.00 -0.53 0.00 0.00 40.66 40.06 1gm0 h LEU 112 CO -0.03 0.08 -0.42 1.23 -0.13 0.00 0.00 178.44 179.17 1gm0 h GLY 113 N 0.01 -1.21 0.40 3.75 0.00 -0.47 -1.39 103.07 104.17 1gm0 h GLY 113 Ca 0.01 0.68 0.07 0.00 0.00 0.00 0.00 47.33 48.10 1gm0 h GLY 113 CO -0.00 -0.29 0.07 -2.08 0.00 0.00 0.00 176.54 174.23 1gm0 h VAL 114 N -0.45 0.74 -0.67 4.60 2.07 -0.79 -0.29 116.25 121.46 1gm0 h VAL 114 Ca 0.02 -0.07 -0.08 0.00 0.82 0.00 0.00 66.70 67.40 1gm0 h VAL 114 Cb 0.52 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1gm0 h VAL 114 CO -0.33 0.03 0.09 0.00 0.02 0.00 0.00 177.57 177.38 1gm0 h ALA 115 N 1.35 0.89 -0.72 1.67 0.00 -1.09 -0.09 119.26 121.27 1gm0 h ALA 115 Ca 0.22 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1gm0 h ALA 115 Cb 0.29 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1gm0 h ALA 115 CO -0.30 0.67 0.27 1.15 0.00 0.00 0.00 179.25 181.04 1gm0 h THR 116 N 1.04 1.25 0.65 0.00 2.02 -0.51 -2.66 112.91 114.70 1gm0 h THR 116 Ca 0.20 -0.79 -0.03 0.00 0.77 0.00 0.00 66.41 66.56 1gm0 h THR 116 Cb 0.46 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1gm0 h THR 116 CO 0.02 0.32 -0.35 0.00 0.37 0.00 0.00 175.52 175.87 1gm0 h PHE 118 N -0.93 -1.06 -0.75 0.00 3.57 -0.69 -1.29 116.94 115.79 1gm0 h PHE 118 Ca -0.08 0.04 0.17 0.00 3.53 0.00 0.00 57.97 61.63 1gm0 h PHE 118 Cb 0.73 0.48 -0.12 0.00 2.79 0.00 0.00 35.95 39.83 1gm0 h PHE 118 CO -0.06 -0.44 0.11 -0.22 -2.23 0.00 0.00 178.31 175.46 1gm0 h LYS 119 N -0.45 0.18 -0.88 1.11 3.64 -1.59 0.13 116.57 118.71 1gm0 h LYS 119 Ca 0.09 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1gm0 h LYS 119 Cb 0.59 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.33 1gm0 h LYS 119 CO -0.38 0.12 0.47 0.00 -2.27 0.00 0.00 179.45 177.39 1gm0 h ALA 120 N 1.67 1.17 -0.64 5.00 0.00 -1.23 -2.05 119.26 123.19 1gm0 h ALA 120 Ca 0.43 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 1gm0 h ALA 120 Cb 0.76 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1gm0 h ALA 120 CO -0.59 0.66 0.12 0.93 0.00 0.00 0.00 179.25 180.37 1gm0 h GLU 121 N 1.24 1.04 -0.77 0.00 4.39 -0.24 -2.12 114.58 118.12 1gm0 h GLU 121 Ca 0.31 -0.27 0.05 0.00 0.34 0.00 0.00 59.36 59.79 1gm0 h GLU 121 Cb 0.04 -0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 28.52 1gm0 h GLU 121 CO -0.05 0.96 0.51 0.82 -1.16 0.00 0.00 179.01 180.09 1gm0 h ILE 122 N 0.96 1.08 0.00 3.13 2.04 -0.86 -0.05 117.51 123.81 1gm0 h ILE 122 Ca 0.20 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1gm0 h ILE 122 Cb 0.41 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1gm0 h ILE 122 CO 0.01 0.16 0.00 1.57 0.00 0.00 0.00 178.15 179.89 1gm0 n HIS 123 N -4.47 0.54 -0.03 1.37 -0.00 -0.80 -1.83 115.22 110.00 1gm0 n HIS 123 Ca 0.11 0.23 -0.08 0.00 0.46 0.00 0.00 57.72 58.44 1gm0 n HIS 123 Cb 0.17 -0.87 -0.14 0.00 -0.12 0.00 0.00 29.99 29.02 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 -2.01 0.64 -0.74 1.57 5.02 -0.08 -4.97 118.16 117.59 1gm0 n LYS 124 Ca 0.01 0.24 -0.32 0.00 -2.02 0.00 0.00 58.31 56.23 1gm0 n LYS 124 Cb 0.15 -1.75 0.16 0.00 -0.02 0.00 0.00 35.03 33.57 1gm0 n LYS 124 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1gm0 n LEU 125 N -2.98 2.82 0.15 -0.35 4.77 -0.76 -4.94 117.00 115.70 1gm0 n LEU 125 Ca -0.19 0.42 0.03 0.00 -0.03 0.00 0.00 56.01 56.25 1gm0 n LEU 125 Cb 1.05 -1.43 0.10 0.00 -2.33 0.00 0.00 43.42 40.81 1gm0 n LEU 125 CO 0.45 -2.37 0.52 -1.13 -1.33 0.00 0.00 177.39 173.52 1gm0 h ASN 126 N -1.73 0.00 -0.83 -1.43 -1.24 -1.93 -3.47 115.58 104.95 1gm0 h ASN 126 Ca -0.43 0.00 -0.59 0.00 0.71 0.00 0.00 56.30 55.99 1gm0 h ASN 126 Cb 1.28 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 40.26 1gm0 h ASN 126 CO 0.40 0.48 -0.38 -1.66 -1.29 0.00 0.00 177.43 174.98 1gm0 s TRP 127 N -3.11 1.96 -0.30 0.67 1.48 -1.26 -5.13 118.94 113.25 1gm0 s TRP 127 Ca 0.03 -0.78 -0.03 0.00 -1.06 0.00 0.00 56.10 54.27 1gm0 s TRP 127 Cb 0.08 -1.90 0.11 0.00 -1.16 0.00 0.00 33.47 30.61 1gm0 s TRP 127 CO 0.73 -0.19 0.18 0.00 -4.06 0.00 0.00 176.95 173.61 1gm0 s ALA 128 N -2.73 0.41 0.87 2.67 0.00 -1.26 -4.94 121.76 116.78 1gm0 s ALA 128 Ca 0.32 -1.03 -0.13 0.00 0.00 0.00 0.00 51.96 51.12 1gm0 s ALA 128 Cb -0.00 -1.52 0.05 0.00 0.00 0.00 0.00 23.12 21.65 1gm0 s ALA 128 CO 0.19 -1.74 0.74 -2.30 0.00 0.00 0.00 175.76 172.65 1gm0 n PRO 129 N 5.07 -0.10 -1.82 0.00 -0.02 -1.26 -4.99 135.00 131.88 1gm0 n PRO 129 Ca -0.02 0.03 -0.38 0.00 -2.02 0.00 0.00 63.50 61.10 1gm0 n PRO 129 Cb 0.42 -2.07 0.04 0.00 -0.02 0.00 0.00 33.50 31.87 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 -2.04 5.28 0.28 2.55 0.01 -1.26 -4.89 113.70 113.63 1gm0 s SER 130 Ca 0.64 2.71 -0.02 0.00 1.31 0.00 0.00 55.95 60.59 1gm0 s SER 130 Cb -0.26 -2.63 0.42 0.00 0.21 0.00 0.00 66.02 63.77 1gm0 s SER 130 CO 0.60 -1.56 1.91 0.24 0.41 0.00 0.00 173.24 174.84 1gm0 h MET 131 N 1.41 1.13 -0.77 12.44 2.86 -1.99 -1.49 114.93 128.51 1gm0 h MET 131 Ca -0.51 -0.07 0.16 0.00 -2.06 0.00 0.00 59.70 57.23 1gm0 h MET 131 Cb 1.30 -0.25 -0.11 0.00 0.06 0.00 0.00 31.60 32.60 1gm0 h MET 131 CO 0.57 0.75 0.27 -0.44 1.06 0.00 0.00 176.91 179.11 1gm0 h ASP 132 N 1.16 0.17 0.06 1.22 5.19 -1.97 -0.04 116.42 122.21 1gm0 h ASP 132 Ca 0.40 0.13 -0.00 0.00 -0.62 0.00 0.00 57.03 56.94 1gm0 h ASP 132 Cb 0.10 0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.75 1gm0 h ASP 132 CO -0.14 0.02 -0.03 0.58 -3.12 0.00 0.00 179.24 176.56 1gm0 h VAL 133 N 0.36 0.00 -0.52 -1.35 2.07 -1.67 -1.84 116.25 113.30 1gm0 h VAL 133 Ca 0.44 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.92 1gm0 h VAL 133 Cb 0.74 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1gm0 h VAL 133 CO -0.47 0.00 0.29 0.00 0.02 0.00 0.00 177.57 177.40 1gm0 h ALA 134 N -1.94 1.53 0.00 1.67 0.00 -1.14 0.22 119.26 119.60 1gm0 h ALA 134 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1gm0 h ALA 134 Cb 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1gm0 h ALA 134 CO 0.01 0.39 -0.08 0.28 0.00 0.00 0.00 179.25 179.86 1gm0 h VAL 135 N 0.72 0.00 0.06 0.00 2.07 -1.15 -2.79 116.25 115.15 1gm0 h VAL 135 Ca 0.19 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 1gm0 h VAL 135 Cb 0.01 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1gm0 h VAL 135 CO -0.03 0.00 -0.03 1.23 0.02 0.00 0.00 177.57 178.76 1gm0 h GLY 136 N 4.09 -0.08 0.95 2.17 0.00 0.05 -3.33 103.07 106.91 1gm0 h GLY 136 Ca 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.33 1gm0 h GLY 136 CO 0.00 -0.03 0.14 0.83 0.00 0.00 0.00 176.54 177.48 1gm0 h GLU 137 N -0.87 0.66 0.00 4.80 5.08 -0.78 -1.60 114.58 121.87 1gm0 h GLU 137 Ca -0.01 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1gm0 h GLU 137 Cb 0.63 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1gm0 h GLU 137 CO 0.01 0.64 -0.04 0.97 -1.00 0.00 0.00 179.01 179.59 1gm0 h ILE 138 N 0.55 0.95 0.17 3.13 2.10 -1.67 -1.33 117.51 121.42 1gm0 h ILE 138 Ca 0.14 -0.14 -0.31 0.00 1.08 0.00 0.00 64.86 65.62 1gm0 h ILE 138 Cb 0.25 1.08 0.01 0.00 -1.09 0.00 0.00 36.82 37.07 1gm0 h ILE 138 CO -0.01 0.04 -1.46 -0.07 -1.08 0.00 0.00 178.15 175.58 1gm0 h LEU 139 N 0.00 0.57 -1.08 2.19 3.38 -1.55 -1.46 115.31 117.35 1gm0 h LEU 139 Ca -0.00 -0.67 0.21 0.00 0.09 0.00 0.00 57.88 57.51 1gm0 h LEU 139 Cb 0.08 -0.18 -0.11 0.00 0.09 0.00 0.00 40.66 40.54 1gm0 h LEU 139 CO 0.01 1.54 0.61 0.00 0.09 0.00 0.00 178.44 180.69 1gm0 h ALA 140 N 0.37 1.80 0.00 1.53 0.00 -0.50 -3.35 119.26 119.11 1gm0 h ALA 140 Ca -0.23 0.08 -0.37 0.00 0.00 0.00 0.00 54.91 54.40 1gm0 h ALA 140 Cb 2.06 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 19.74 1gm0 h ALA 140 CO 0.21 -0.19 -2.39 0.39 0.00 0.00 0.00 179.25 177.27 1gm0 n GLU 141 N -4.76 0.71 0.00 0.00 1.02 -0.58 -0.42 120.64 116.61 1gm0 n GLU 141 Ca 0.24 0.01 0.13 0.00 -0.02 0.00 0.00 57.16 57.52 1gm0 n GLU 141 Cb 0.65 -1.52 0.30 0.00 -0.02 0.00 0.00 31.44 30.86 1gm0 n GLU 141 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59