#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 -0.56 -1.13 4.33 1.11 -1.26 -4.01 119.66 118.14 1gm0 s GLN 2 Ca 0.00 0.74 -0.09 0.00 0.01 0.00 0.00 55.36 56.02 1gm0 s GLN 2 Cb 0.00 -1.60 0.08 0.00 -1.01 0.00 0.00 33.01 30.47 1gm0 s GLN 2 CO 0.00 -3.45 0.38 -0.85 0.01 0.00 0.00 175.29 171.37 1gm0 n GLU 3 N -4.71 -2.85 -3.13 2.91 0.28 -1.26 -4.85 120.64 107.02 1gm0 n GLU 3 Ca 0.04 0.36 -0.25 0.00 -0.16 0.00 0.00 57.16 57.14 1gm0 n GLU 3 Cb 0.55 -5.00 -0.05 0.00 1.43 0.00 0.00 31.44 28.37 1gm0 n GLU 3 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1gm0 n VAL 4 N -3.66 2.01 -2.54 3.84 0.31 -1.26 -4.76 118.33 112.27 1gm0 n VAL 4 Ca -0.01 -5.18 0.03 0.00 -0.01 0.00 0.00 64.34 59.18 1gm0 n VAL 4 Cb 0.53 -1.45 0.02 0.00 -0.91 0.00 0.00 33.84 32.03 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 0.29 0.21 -0.91 5.55 2.81 -1.26 -4.96 117.12 118.85 1gm0 n MET 5 Ca 0.29 -2.17 -0.28 0.00 -1.81 0.00 0.00 57.70 53.73 1gm0 n MET 5 Cb 0.45 -0.19 0.23 0.00 -0.71 0.00 0.00 33.22 33.01 1gm0 n MET 5 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1gm0 n LYS 6 N 0.36 -3.10 -0.73 0.03 2.85 -1.26 -5.06 118.16 111.26 1gm0 n LYS 6 Ca 0.06 -1.59 -0.29 0.00 -1.05 0.00 0.00 58.31 55.44 1gm0 n LYS 6 Cb 1.10 -1.52 0.23 0.00 -0.65 0.00 0.00 35.03 34.19 1gm0 n LYS 6 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1gm0 s ASN 7 N -4.13 1.52 -0.27 -5.58 4.22 -1.26 -4.90 114.94 104.53 1gm0 s ASN 7 Ca 0.65 1.46 -0.42 0.00 -2.14 0.00 0.00 52.86 52.41 1gm0 s ASN 7 Cb -0.07 -2.19 -0.18 0.00 1.28 0.00 0.00 41.25 40.09 1gm0 s ASN 7 CO 0.50 -3.86 1.55 -0.11 -2.04 0.00 0.00 177.10 173.14 1gm0 n LEU 8 N -4.68 1.55 -0.04 3.54 -0.00 -1.26 -4.90 117.00 111.20 1gm0 n LEU 8 Ca 0.04 1.13 -0.00 0.00 -0.00 0.00 0.00 56.01 57.18 1gm0 n LEU 8 Cb 0.55 -1.02 -0.12 0.00 -0.00 0.00 0.00 43.42 42.82 1gm0 n LEU 8 CO 0.57 -0.86 -0.86 -0.24 -0.00 0.00 0.00 177.39 176.01 1gm0 n SER 9 N 3.99 1.27 -4.74 1.96 2.88 -1.26 -4.94 113.62 112.77 1gm0 n SER 9 Ca 0.26 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.39 1gm0 n SER 9 Cb 0.06 1.27 -0.02 0.00 -0.75 0.00 0.00 64.21 64.77 1gm0 n SER 9 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1gm0 s LEU 10 N -4.67 4.38 0.00 2.46 1.43 -1.26 -4.88 118.68 116.15 1gm0 s LEU 10 Ca -0.07 2.65 -0.04 0.00 -1.03 0.00 0.00 54.13 55.64 1gm0 s LEU 10 Cb 0.07 -3.62 -0.19 0.00 0.03 0.00 0.00 46.19 42.48 1gm0 s LEU 10 CO 0.65 -0.71 2.77 -3.20 0.23 0.00 0.00 176.35 176.08 1gm0 n ASN 11 N 2.58 3.86 0.24 2.29 5.15 -1.26 -4.67 115.26 123.44 1gm0 n ASN 11 Ca 0.08 -2.22 0.15 0.00 -0.60 0.00 0.00 54.58 51.99 1gm0 n ASN 11 Cb 0.40 -1.04 0.82 0.00 -0.53 0.00 0.00 39.78 39.43 1gm0 n ASN 11 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 1gm0 h PHE 12 N 3.73 0.00 -1.01 1.20 0.04 -1.94 -2.00 116.94 116.97 1gm0 h PHE 12 Ca 0.14 0.00 0.24 0.00 2.80 0.00 0.00 57.97 61.15 1gm0 h PHE 12 Cb 1.11 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 39.15 1gm0 h PHE 12 CO 1.55 0.00 0.63 0.78 -0.60 0.00 0.00 178.31 180.67 1gm0 h GLY 13 N 0.00 1.52 0.54 -1.45 0.00 -1.99 0.11 103.07 101.79 1gm0 h GLY 13 Ca 0.05 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 1gm0 h GLY 13 CO -0.00 -0.14 -0.26 0.50 0.00 0.00 0.00 176.54 176.64 1gm0 h LYS 14 N 0.53 -0.69 -0.42 4.80 1.79 -1.71 -2.71 116.57 118.16 1gm0 h LYS 14 Ca 0.60 0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 59.10 1gm0 h LYS 14 Cb 1.27 0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 32.06 1gm0 h LYS 14 CO -0.36 -0.46 0.21 0.00 -1.08 0.00 0.00 179.45 177.76 1gm0 h ALA 15 N -1.23 1.59 -0.66 3.86 0.00 -1.55 -1.44 119.26 119.83 1gm0 h ALA 15 Ca -0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1gm0 h ALA 15 Cb 0.55 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1gm0 h ALA 15 CO 0.12 0.34 0.32 -0.07 0.00 0.00 0.00 179.25 179.96 1gm0 h LEU 16 N 0.58 0.86 -0.97 0.00 3.38 -0.92 -0.01 115.31 118.24 1gm0 h LEU 16 Ca 0.15 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1gm0 h LEU 16 Cb 0.05 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1gm0 h LEU 16 CO -0.02 0.75 0.00 -0.67 0.09 0.00 0.00 178.44 178.59 1gm0 n ASP 17 N -4.47 0.55 -0.11 -0.43 2.03 -0.56 -0.46 116.55 113.09 1gm0 n ASP 17 Ca 0.05 0.69 -0.19 0.00 0.52 0.00 0.00 54.79 55.86 1gm0 n ASP 17 Cb 0.13 -0.79 -0.07 0.00 -0.72 0.00 0.00 41.12 39.67 1gm0 n ASP 17 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1gm0 n GLU 18 N -2.17 0.55 -0.24 -0.67 1.02 -0.96 -4.25 120.64 113.93 1gm0 n GLU 18 Ca 0.00 0.34 0.04 0.00 -0.02 0.00 0.00 57.16 57.53 1gm0 n GLU 18 Cb 0.12 -1.55 0.16 0.00 -0.02 0.00 0.00 31.44 30.15 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 0.18 0.00 0.00 0.00 5.09 -1.01 -1.92 116.57 118.91 1gm0 h LYS 20 Ca 0.39 0.00 -0.30 0.00 0.09 0.00 0.00 60.65 60.83 1gm0 h LYS 20 Cb 0.68 0.00 -0.05 0.00 0.10 0.00 0.00 32.23 32.96 1gm0 h LYS 20 CO -0.57 0.14 -1.82 1.63 -2.09 0.00 0.00 179.45 176.75 1gm0 n LYS 21 N -4.09 0.64 0.22 0.07 5.02 0.19 -1.07 118.16 119.13 1gm0 n LYS 21 Ca -0.02 0.25 -0.09 0.00 -2.02 0.00 0.00 58.31 56.43 1gm0 n LYS 21 Cb 0.22 -1.75 -0.04 0.00 -0.02 0.00 0.00 35.03 33.44 1gm0 n LYS 21 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1gm0 h GLU 22 N 0.00 -0.56 0.00 1.97 5.08 -0.04 -3.21 114.58 117.83 1gm0 h GLU 22 Ca -0.33 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1gm0 h GLU 22 Cb 2.05 0.13 0.00 0.00 0.50 0.00 0.00 28.75 31.43 1gm0 h GLU 22 CO 0.07 -0.37 0.00 0.52 -1.00 0.00 0.00 179.01 178.23 1gm0 h MET 23 N -0.83 0.00 -5.53 2.33 0.00 -1.59 -3.47 114.93 105.84 1gm0 h MET 23 Ca -0.06 0.00 -0.06 0.00 0.00 0.00 0.00 59.70 59.58 1gm0 h MET 23 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.05 1gm0 h MET 23 CO 0.10 0.00 -0.23 2.41 0.00 0.00 0.00 176.91 179.19 1gm0 n THR 24 N -2.52 -9.49 -2.49 2.22 -1.04 -1.21 -5.05 114.28 94.69 1gm0 n THR 24 Ca 0.02 -0.01 -0.24 0.00 -2.04 0.00 0.00 64.05 61.78 1gm0 n THR 24 Cb 0.28 -6.51 0.10 0.00 -1.82 0.00 0.00 70.33 62.38 1gm0 n THR 24 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1gm0 s LEU 25 N -3.82 2.98 0.87 -4.42 1.43 -0.24 -5.02 118.68 110.47 1gm0 s LEU 25 Ca 0.05 -0.18 -0.10 0.00 -1.03 0.00 0.00 54.13 52.87 1gm0 s LEU 25 Cb -0.01 -2.23 0.12 0.00 0.03 0.00 0.00 46.19 44.09 1gm0 s LEU 25 CO 0.77 -1.82 1.13 0.42 0.23 0.00 0.00 176.35 177.08 1gm0 s THR 26 N -3.17 2.43 0.06 5.49 -4.23 -1.26 -4.88 115.64 110.08 1gm0 s THR 26 Ca 0.65 0.14 0.03 0.00 -1.18 0.00 0.00 61.69 61.34 1gm0 s THR 26 Cb -0.06 -2.30 -0.24 0.00 1.34 0.00 0.00 72.50 71.23 1gm0 s THR 26 CO 0.44 -0.18 1.05 -0.78 -0.54 0.00 0.00 174.62 174.61 1gm0 h ASP 27 N -1.66 0.17 0.19 3.99 3.58 -1.99 -3.32 116.42 117.38 1gm0 h ASP 27 Ca -0.43 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 56.80 1gm0 h ASP 27 Cb 1.26 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.25 1gm0 h ASP 27 CO 0.44 1.17 0.00 0.00 -2.88 0.00 0.00 179.24 177.98 1gm0 n ALA 28 N -2.49 1.59 -0.34 -0.78 0.00 -1.26 -1.95 120.51 115.27 1gm0 n ALA 28 Ca -0.08 -0.04 0.32 0.00 0.00 0.00 0.00 53.44 53.64 1gm0 n ALA 28 Cb 1.00 -1.15 0.68 0.00 0.00 0.00 0.00 19.45 19.98 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 0.41 0.00 0.00 -0.00 -1.97 -1.98 117.51 113.97 1gm0 h ILE 29 Ca 0.00 -0.04 -0.00 0.00 -0.00 0.00 0.00 64.86 64.82 1gm0 h ILE 29 Cb 0.10 0.29 -0.00 0.00 -0.00 0.00 0.00 36.82 37.21 1gm0 h ILE 29 CO 0.00 0.02 -0.01 -1.13 -0.00 0.00 0.00 178.15 177.03 1gm0 h ASN 30 N 0.11 0.00 0.00 2.16 -0.73 -1.70 -1.51 115.58 113.91 1gm0 h ASN 30 Ca 0.60 0.00 -0.21 0.00 1.87 0.00 0.00 56.30 58.55 1gm0 h ASN 30 Cb 2.11 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 40.66 1gm0 h ASN 30 CO -0.11 0.01 -1.78 -0.62 -0.37 0.00 0.00 177.43 174.56 1gm0 n GLU 31 N -3.63 0.33 -0.28 6.67 1.02 -1.01 -4.63 120.64 119.12 1gm0 n GLU 31 Ca -0.03 0.09 0.06 0.00 -0.02 0.00 0.00 57.16 57.26 1gm0 n GLU 31 Cb 0.09 -1.23 0.29 0.00 -0.02 0.00 0.00 31.44 30.58 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 -0.09 0.81 -0.32 1.62 3.58 -1.18 0.85 116.42 121.68 1gm0 h ASP 32 Ca -0.32 0.02 0.03 0.00 0.42 0.00 0.00 57.03 57.18 1gm0 h ASP 32 Cb 1.44 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 42.31 1gm0 h ASP 32 CO -0.08 0.49 0.13 0.15 -2.88 0.00 0.00 179.24 177.05 1gm0 h PHE 33 N 0.90 0.23 -0.03 0.28 3.57 -1.53 -2.11 116.94 118.25 1gm0 h PHE 33 Ca 0.40 0.02 -0.23 0.00 3.53 0.00 0.00 57.97 61.68 1gm0 h PHE 33 Cb 0.34 -0.05 0.01 0.00 2.79 0.00 0.00 35.95 39.04 1gm0 h PHE 33 CO -0.00 0.11 -0.92 1.88 -2.23 0.00 0.00 178.31 177.15 1gm0 h TYR 34 N 0.27 0.76 -0.44 0.41 -1.99 -1.50 -3.14 116.97 111.34 1gm0 h TYR 34 Ca 0.14 -0.39 0.10 0.00 2.00 0.00 0.00 58.73 60.58 1gm0 h TYR 34 Cb 0.10 -0.09 -0.02 0.00 2.00 0.00 0.00 36.73 38.71 1gm0 h TYR 34 CO -0.13 1.21 0.31 -0.91 -0.00 0.00 0.00 178.16 178.64 1gm0 h ASN 35 N 0.31 0.13 -1.01 3.88 2.35 -0.71 -3.06 115.58 117.47 1gm0 h ASN 35 Ca -0.08 0.00 0.24 0.00 -0.55 0.00 0.00 56.30 55.91 1gm0 h ASN 35 Cb 1.55 -0.02 -0.12 0.00 0.05 0.00 0.00 38.32 39.78 1gm0 h ASN 35 CO 0.17 0.08 0.61 0.15 -1.65 0.00 0.00 177.43 176.78 1gm0 h PHE 36 N 0.14 0.97 0.00 1.19 3.57 -1.33 -0.74 116.94 120.74 1gm0 h PHE 36 Ca 0.21 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 1gm0 h PHE 36 Cb 0.63 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 1gm0 h PHE 36 CO -0.00 0.09 -0.27 -1.49 -2.23 0.00 0.00 178.31 174.41 1gm0 h TRP 37 N 0.58 0.00 -3.79 0.41 6.55 -1.76 -3.46 115.95 114.49 1gm0 h TRP 37 Ca 0.63 0.00 -0.55 0.00 0.95 0.00 0.00 58.89 59.92 1gm0 h TRP 37 Cb 1.22 0.00 0.12 0.00 -0.86 0.00 0.00 29.16 29.63 1gm0 h TRP 37 CO -0.01 0.07 0.66 1.63 -1.05 0.00 0.00 178.44 179.75 1gm0 n LYS 38 N -3.03 2.33 -0.93 0.49 5.02 -0.29 -4.97 118.16 116.78 1gm0 n LYS 38 Ca 0.03 0.82 -0.32 0.00 -2.02 0.00 0.00 58.31 56.82 1gm0 n LYS 38 Cb 0.56 -2.56 0.14 0.00 -0.02 0.00 0.00 35.03 33.15 1gm0 n LYS 38 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1gm0 s GLU 39 N -2.21 1.42 0.00 1.97 8.01 -1.26 -3.28 118.70 123.34 1gm0 s GLU 39 Ca 0.58 1.57 0.00 0.00 0.01 0.00 0.00 54.97 57.12 1gm0 s GLU 39 Cb -0.48 -1.77 0.00 0.00 -4.31 0.00 0.00 34.13 27.57 1gm0 s GLU 39 CO 0.60 -2.34 0.00 0.41 0.01 0.00 0.00 175.26 173.94 1gm0 n GLY 40 N 0.11 1.34 3.56 -1.39 0.00 -1.26 -4.95 105.19 102.60 1gm0 n GLY 40 Ca 0.12 0.00 -0.36 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 -2.07 3.19 -0.50 1.61 6.14 -1.21 -5.06 117.35 119.46 1gm0 s TYR 41 Ca 0.00 -0.07 -0.13 0.00 0.64 0.00 0.00 57.07 57.51 1gm0 s TYR 41 Cb 0.00 -2.22 0.12 0.00 0.42 0.00 0.00 41.96 40.28 1gm0 s TYR 41 CO 0.00 -0.10 0.41 -1.21 0.64 0.00 0.00 175.55 175.29 1gm0 s GLU 42 N 1.18 2.74 -0.39 4.97 8.01 -1.26 -4.90 118.70 129.05 1gm0 s GLU 42 Ca 0.05 -1.70 -0.13 0.00 0.01 0.00 0.00 54.97 53.21 1gm0 s GLU 42 Cb -0.14 -4.10 0.03 0.00 -4.31 0.00 0.00 34.13 25.61 1gm0 s GLU 42 CO 0.04 -1.23 0.25 0.42 0.01 0.00 0.00 175.26 174.76 1gm0 s ILE 43 N 1.49 4.91 -0.54 -1.63 1.09 -1.26 -4.92 121.20 120.33 1gm0 s ILE 43 Ca 0.04 -0.78 0.05 0.00 -1.10 0.00 0.00 60.65 58.86 1gm0 s ILE 43 Cb -0.28 -3.74 0.08 0.00 -1.06 0.00 0.00 42.46 37.46 1gm0 s ILE 43 CO 0.02 -0.28 0.83 0.29 -0.10 0.00 0.00 174.94 175.69 1gm0 n LYS 44 N 5.08 0.93 -1.68 2.79 4.76 -1.26 -5.04 118.16 123.73 1gm0 n LYS 44 Ca -0.11 -1.16 -0.30 0.00 -2.87 0.00 0.00 58.31 53.87 1gm0 n LYS 44 Cb 0.46 -1.10 0.08 0.00 -1.84 0.00 0.00 35.03 32.63 1gm0 n LYS 44 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1gm0 s ASN 45 N -0.64 4.68 -0.10 4.39 2.47 -1.26 -5.01 114.94 119.47 1gm0 s ASN 45 Ca 0.07 1.18 -0.25 0.00 0.42 0.00 0.00 52.86 54.29 1gm0 s ASN 45 Cb 0.05 -1.90 -0.21 0.00 -1.45 0.00 0.00 41.25 37.74 1gm0 s ASN 45 CO 0.06 -1.84 0.82 0.03 -3.72 0.00 0.00 177.10 172.45 1gm0 h ARG 46 N -1.00 -0.03 0.00 0.43 3.08 -1.97 -3.34 114.38 111.55 1gm0 h ARG 46 Ca -0.47 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.57 1gm0 h ARG 46 Cb 1.28 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.33 1gm0 h ARG 46 CO 0.61 0.68 -0.08 0.93 -1.07 0.00 0.00 179.97 181.05 1gm0 h GLU 47 N -0.88 0.00 0.55 0.04 3.07 -1.95 -2.06 114.58 113.35 1gm0 h GLU 47 Ca -0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1gm0 h GLU 47 Cb 0.73 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.63 1gm0 h GLU 47 CO 0.01 0.08 -0.44 1.15 -1.40 0.00 0.00 179.01 178.40 1gm0 h THR 48 N 0.00 0.00 -0.98 1.13 2.02 -1.96 -0.38 112.91 112.75 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 0.28 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.63 1gm0 h THR 48 CO 0.01 0.00 0.64 1.23 0.37 0.00 0.00 175.52 177.77 1gm0 h GLY 49 N -0.96 1.45 1.02 2.16 0.00 -1.62 -2.30 103.07 102.81 1gm0 h GLY 49 Ca -0.07 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 46.76 1gm0 h GLY 49 CO 0.00 0.37 0.40 0.00 0.00 0.00 0.00 176.54 177.32 1gm0 h ALA 51 N 1.21 -0.05 0.12 0.00 0.00 -0.63 -0.42 119.26 119.49 1gm0 h ALA 51 Ca 0.27 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1gm0 h ALA 51 Cb 0.07 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1gm0 h ALA 51 CO -0.04 -0.48 -0.07 0.82 0.00 0.00 0.00 179.25 179.47 1gm0 h ILE 52 N -0.14 0.84 -0.47 0.00 2.04 -0.88 0.14 117.51 119.04 1gm0 h ILE 52 Ca -0.01 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.95 1gm0 h ILE 52 Cb 0.13 0.84 -0.08 0.00 -0.74 0.00 0.00 36.82 36.97 1gm0 h ILE 52 CO 0.01 0.00 -0.07 -0.03 0.00 0.00 0.00 178.15 178.06 1gm0 h MET 53 N -0.18 0.04 -0.61 2.37 4.05 -0.61 -1.65 114.93 118.32 1gm0 h MET 53 Ca -0.01 -0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 59.32 1gm0 h MET 53 Cb 0.16 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.92 1gm0 h MET 53 CO 0.01 0.03 0.04 0.00 0.23 0.00 0.00 176.91 177.21 1gm0 h LEU 55 N 0.96 0.00 -2.39 0.00 3.38 0.16 -2.84 115.31 114.58 1gm0 h LEU 55 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1gm0 h LEU 55 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1gm0 h LEU 55 CO 0.02 0.00 0.00 0.77 0.09 0.00 0.00 178.44 179.33 1gm0 h SER 56 N 0.00 0.00 0.00 -0.43 4.64 -1.09 -1.78 113.55 114.90 1gm0 h SER 56 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1gm0 h SER 56 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1gm0 h SER 56 CO 0.00 0.00 -0.12 1.07 -0.87 0.00 0.00 176.83 176.91 1gm0 n THR 57 N -2.76 1.25 -0.11 2.95 5.66 -1.07 -4.48 114.28 115.73 1gm0 n THR 57 Ca -0.02 -1.48 0.00 0.00 -3.05 0.00 0.00 64.05 59.50 1gm0 n THR 57 Cb 0.06 0.08 0.00 0.00 -1.55 0.00 0.00 70.33 68.92 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 -0.92 1.24 0.09 1.09 4.76 -0.67 -4.74 118.16 119.01 1gm0 n LYS 58 Ca 0.10 -1.01 0.06 0.00 -2.87 0.00 0.00 58.31 54.58 1gm0 n LYS 58 Cb 0.60 -0.95 0.50 0.00 -1.84 0.00 0.00 35.03 33.34 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 0.30 0.00 -0.35 3.38 -1.82 -0.27 115.31 116.56 1gm0 h LEU 59 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1gm0 h LEU 59 Cb 0.35 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1gm0 h LEU 59 CO 0.00 0.22 0.02 -0.46 0.09 0.00 0.00 178.44 178.31 1gm0 n ASN 60 N -4.50 0.00 -0.72 -0.43 0.23 -1.26 -0.71 115.26 107.88 1gm0 n ASN 60 Ca 0.01 0.44 0.09 0.00 -0.53 0.00 0.00 54.58 54.59 1gm0 n ASN 60 Cb 0.08 -0.44 0.08 0.00 -2.08 0.00 0.00 39.78 37.42 1gm0 n ASN 60 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 1gm0 n MET 61 N -1.44 1.49 0.00 -3.83 2.81 -0.11 -4.72 117.12 111.32 1gm0 n MET 61 Ca 0.00 -1.58 -0.01 0.00 -1.81 0.00 0.00 57.70 54.29 1gm0 n MET 61 Cb 0.02 -1.34 -0.00 0.00 -0.71 0.00 0.00 33.22 31.19 1gm0 n MET 61 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1gm0 n LEU 62 N 0.99 0.67 -4.64 4.03 4.77 0.12 -4.73 117.00 118.22 1gm0 n LEU 62 Ca 0.11 0.10 -0.43 0.00 -0.03 0.00 0.00 56.01 55.76 1gm0 n LEU 62 Cb 0.44 -0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 1gm0 n LEU 62 CO 0.11 -0.54 1.19 1.51 -1.33 0.00 0.00 177.39 178.33 1gm0 s ASP 63 N -5.29 6.66 0.06 -1.43 -4.77 -0.79 -4.47 116.67 106.65 1gm0 s ASP 63 Ca -0.05 1.46 -0.07 0.00 -3.30 0.00 0.00 52.55 50.59 1gm0 s ASP 63 Cb 0.01 -2.54 -0.30 0.00 -1.09 0.00 0.00 42.92 39.00 1gm0 s ASP 63 CO 0.07 -1.05 1.09 1.55 0.70 0.00 0.00 175.17 177.54 1gm0 h PRO 64 N 9.41 0.32 0.00 2.11 0.13 -1.95 -3.14 132.00 138.87 1gm0 h PRO 64 Ca -0.29 -0.55 -0.01 0.00 -0.87 0.00 0.00 66.00 64.28 1gm0 h PRO 64 Cb 1.12 0.21 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 1gm0 h PRO 64 CO 1.01 1.26 -0.05 0.93 -0.23 0.00 0.00 178.00 180.92 1gm0 h GLU 65 N 0.09 0.00 -2.20 0.86 5.08 -2.01 -3.47 114.58 112.92 1gm0 h GLU 65 Ca -0.17 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.00 1gm0 h GLU 65 Cb 2.02 0.00 0.02 0.00 0.50 0.00 0.00 28.75 31.29 1gm0 h GLU 65 CO 0.22 0.05 -0.28 0.41 -1.00 0.00 0.00 179.01 178.40 1gm0 n GLY 66 N -0.21 0.09 0.10 -3.84 0.00 -1.19 -4.96 105.19 95.18 1gm0 n GLY 66 Ca -0.00 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.55 -0.09 -2.49 1.61 7.08 -1.91 -3.46 115.58 115.77 1gm0 h ASN 67 Ca -0.25 -0.51 -0.54 0.00 -3.08 0.00 0.00 56.30 51.92 1gm0 h ASN 67 Cb 1.17 0.02 -0.07 0.00 -2.08 0.00 0.00 38.32 37.37 1gm0 h ASN 67 CO 0.27 0.55 1.11 -0.22 -2.08 0.00 0.00 177.43 177.06 1gm0 s LEU 68 N -8.84 3.27 0.27 6.14 2.96 -1.26 -4.73 118.68 116.49 1gm0 s LEU 68 Ca -0.14 -0.09 0.09 0.00 -0.22 0.00 0.00 54.13 53.77 1gm0 s LEU 68 Cb -0.00 -2.73 -0.04 0.00 0.50 0.00 0.00 46.19 43.91 1gm0 s LEU 68 CO 0.54 -1.86 0.03 -1.00 -1.32 0.00 0.00 176.35 172.74 1gm0 s HIS 69 N 6.29 2.73 0.00 5.38 3.76 -0.27 -4.41 115.29 128.76 1gm0 s HIS 69 Ca 0.45 -0.23 -0.30 0.00 -0.15 0.00 0.00 55.06 54.83 1gm0 s HIS 69 Cb -0.09 -1.27 -0.07 0.00 1.11 0.00 0.00 32.58 32.26 1gm0 s HIS 69 CO 0.19 0.58 1.74 -1.58 -0.85 0.00 0.00 174.74 174.83 1gm0 s HIS 70 N -2.32 1.88 -0.68 1.40 2.46 -1.26 -1.50 115.29 115.26 1gm0 s HIS 70 Ca 0.32 0.03 0.00 0.00 0.47 0.00 0.00 55.06 55.88 1gm0 s HIS 70 Cb -0.06 -4.02 0.00 0.00 -0.13 0.00 0.00 32.58 28.37 1gm0 s HIS 70 CO 0.21 -4.36 0.00 0.41 -2.47 0.00 0.00 174.74 168.52 1gm0 n GLY 71 N 4.22 0.86 2.95 1.59 0.00 0.51 -4.99 105.19 110.32 1gm0 n GLY 71 Ca 0.18 -0.49 -0.08 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.68 0.07 -0.02 1.61 3.84 -0.56 -4.99 114.94 112.20 1gm0 s ASN 72 Ca 0.00 -0.57 0.06 0.00 0.21 0.00 0.00 52.86 52.56 1gm0 s ASN 72 Cb 0.00 1.22 0.15 0.00 -0.55 0.00 0.00 41.25 42.07 1gm0 s ASN 72 CO 0.00 -0.31 1.12 0.00 -2.79 0.00 0.00 177.10 175.12 1gm0 n ALA 73 N 5.07 2.14 0.08 1.71 0.00 -1.26 -1.12 120.51 127.13 1gm0 n ALA 73 Ca 0.04 -1.29 -0.16 0.00 0.00 0.00 0.00 53.44 52.03 1gm0 n ALA 73 Cb 0.50 -0.21 -0.09 0.00 0.00 0.00 0.00 19.45 19.65 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 0.72 0.42 -0.09 0.00 2.86 -1.94 0.20 114.93 117.11 1gm0 h MET 74 Ca 0.00 -0.54 -0.23 0.00 -2.06 0.00 0.00 59.70 56.86 1gm0 h MET 74 Cb 0.68 0.18 0.01 0.00 0.06 0.00 0.00 31.60 32.53 1gm0 h MET 74 CO 0.01 1.20 -0.86 0.93 1.06 0.00 0.00 176.91 179.26 1gm0 h GLU 75 N 0.20 0.74 -0.55 1.72 5.08 -1.92 -3.07 114.58 116.78 1gm0 h GLU 75 Ca -0.12 -0.68 0.08 0.00 -1.00 0.00 0.00 59.36 57.64 1gm0 h GLU 75 Cb 1.77 0.16 -0.07 0.00 0.50 0.00 0.00 28.75 31.12 1gm0 h GLU 75 CO 0.19 1.27 0.19 0.35 -1.00 0.00 0.00 179.01 180.01 1gm0 h PHE 76 N 0.44 0.33 -0.18 4.33 3.57 -1.82 -1.60 116.94 122.00 1gm0 h PHE 76 Ca -0.08 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.50 1gm0 h PHE 76 Cb 1.50 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 40.12 1gm0 h PHE 76 CO 0.10 0.08 -0.20 0.00 -2.23 0.00 0.00 178.31 176.06 1gm0 h ALA 77 N 1.38 -0.10 0.00 2.41 0.00 -0.67 -1.90 119.26 120.37 1gm0 h ALA 77 Ca 0.27 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 1gm0 h ALA 77 Cb 0.32 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1gm0 h ALA 77 CO -0.29 -0.64 -0.12 0.87 0.00 0.00 0.00 179.25 179.07 1gm0 h LYS 78 N -0.23 0.00 -0.15 0.00 1.57 -0.82 0.47 116.57 117.41 1gm0 h LYS 78 Ca 0.12 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1gm0 h LYS 78 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1gm0 h LYS 78 CO -0.31 0.12 0.06 0.87 -0.57 0.00 0.00 179.45 179.62 1gm0 h LYS 79 N 0.00 0.20 -0.40 3.15 1.57 -0.48 -2.22 116.57 118.39 1gm0 h LYS 79 Ca -0.00 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 1gm0 h LYS 79 Cb 0.25 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.45 1gm0 h LYS 79 CO 0.02 0.17 0.05 0.72 -0.57 0.00 0.00 179.45 179.83 1gm0 n HIS 80 N -4.47 1.34 -0.14 -1.35 8.25 0.03 -4.68 115.22 114.20 1gm0 n HIS 80 Ca -0.01 -1.19 0.00 0.00 -0.26 0.00 0.00 57.72 56.26 1gm0 n HIS 80 Cb 0.11 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 30.76 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 -0.66 2.59 3.57 -1.41 0.00 -0.77 -4.71 105.19 103.81 1gm0 n GLY 81 Ca 0.30 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.10 2.61 1.33 4.61 0.00 -0.48 -4.56 121.76 122.18 1gm0 s ALA 82 Ca 0.00 -0.41 -0.18 0.00 0.00 0.00 0.00 51.96 51.37 1gm0 s ALA 82 Cb 0.00 -4.14 0.34 0.00 0.00 0.00 0.00 23.12 19.32 1gm0 s ALA 82 CO 0.00 -3.17 0.96 -0.51 0.00 0.00 0.00 175.76 173.04 1gm0 s ASP 83 N 6.08 -0.37 0.19 0.00 1.01 -1.26 -2.12 116.67 120.20 1gm0 s ASP 83 Ca 0.65 1.21 -0.09 0.00 0.71 0.00 0.00 52.55 55.02 1gm0 s ASP 83 Cb -0.14 -1.82 0.11 0.00 1.01 0.00 0.00 42.92 42.08 1gm0 s ASP 83 CO 0.26 -4.99 1.72 -0.08 0.21 0.00 0.00 175.17 172.30 1gm0 h GLU 84 N -3.16 1.07 -0.67 8.23 4.81 -1.94 -0.69 114.58 122.23 1gm0 h GLU 84 Ca -0.54 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 58.44 1gm0 h GLU 84 Cb 1.34 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 1gm0 h GLU 84 CO 0.39 0.93 0.36 1.15 -0.73 0.00 0.00 179.01 181.11 1gm0 h THR 85 N 1.01 1.21 -0.24 0.32 2.02 -1.97 0.21 112.91 115.46 1gm0 h THR 85 Ca 0.22 -0.53 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 1gm0 h THR 85 Cb 0.31 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1gm0 h THR 85 CO -0.01 0.23 0.09 0.24 0.37 0.00 0.00 175.52 176.45 1gm0 h MET 86 N 0.92 0.35 0.15 6.66 2.86 -1.82 -0.47 114.93 123.58 1gm0 h MET 86 Ca 0.23 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 1gm0 h MET 86 Cb 0.05 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.65 1gm0 h MET 86 CO -0.04 0.40 -0.08 0.00 1.06 0.00 0.00 176.91 178.25 1gm0 h ALA 87 N 0.93 -0.21 0.00 6.32 0.00 -0.91 -3.11 119.26 122.29 1gm0 h ALA 87 Ca 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1gm0 h ALA 87 Cb 0.18 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1gm0 h ALA 87 CO -0.01 -0.62 -0.08 0.37 0.00 0.00 0.00 179.25 178.91 1gm0 h GLN 88 N -0.21 0.00 0.41 0.00 5.75 -0.28 0.16 115.11 120.92 1gm0 h GLN 88 Ca -0.02 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 1gm0 h GLN 88 Cb 0.17 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.69 1gm0 h GLN 88 CO 0.02 0.08 -0.51 1.96 -2.65 0.00 0.00 178.83 177.73 1gm0 h GLN 89 N 0.00 -0.91 -0.31 1.69 1.08 -1.07 -2.48 115.11 113.11 1gm0 h GLN 89 Ca -0.00 0.06 -0.07 0.00 -1.45 0.00 0.00 58.65 57.19 1gm0 h GLN 89 Cb 0.15 0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.77 1gm0 h GLN 89 CO 0.01 -0.60 -0.10 -0.07 -0.95 0.00 0.00 178.83 177.12 1gm0 h LEU 90 N -0.94 0.51 -0.32 1.46 3.38 -0.71 -2.36 115.31 116.32 1gm0 h LEU 90 Ca -0.05 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1gm0 h LEU 90 Cb 0.84 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1gm0 h LEU 90 CO -0.12 0.65 0.13 0.40 0.09 0.00 0.00 178.44 179.59 1gm0 h ILE 91 N 0.49 1.18 -1.01 1.22 2.04 -1.11 -0.90 117.51 119.42 1gm0 h ILE 91 Ca 0.09 -0.54 0.05 0.00 1.00 0.00 0.00 64.86 65.47 1gm0 h ILE 91 Cb 0.47 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.43 1gm0 h ILE 91 CO 0.03 0.19 0.66 -0.78 0.00 0.00 0.00 178.15 178.24 1gm0 h ASP 92 N 0.37 1.07 -0.36 1.72 3.58 -0.95 -2.15 116.42 119.70 1gm0 h ASP 92 Ca 0.11 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.51 1gm0 h ASP 92 Cb 0.17 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 1gm0 h ASP 92 CO -0.01 0.71 0.05 0.40 -2.88 0.00 0.00 179.24 177.51 1gm0 h ILE 93 N 1.23 1.24 0.11 2.25 2.04 -1.24 0.88 117.51 124.02 1gm0 h ILE 93 Ca 0.42 -0.85 0.02 0.00 1.00 0.00 0.00 64.86 65.44 1gm0 h ILE 93 Cb 0.09 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1gm0 h ILE 93 CO -0.15 0.29 -0.23 0.58 0.00 0.00 0.00 178.15 178.64 1gm0 h VAL 94 N 0.43 0.49 0.00 1.67 2.07 -0.58 0.69 116.25 121.02 1gm0 h VAL 94 Ca 0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1gm0 h VAL 94 Cb 0.37 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1gm0 h VAL 94 CO 0.01 0.00 0.00 0.45 0.02 0.00 0.00 177.57 178.05 1gm0 h HIS 95 N -0.42 0.00 -0.00 1.57 3.86 -1.39 -1.17 115.15 117.60 1gm0 h HIS 95 Ca 0.03 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.08 1gm0 h HIS 95 Cb 0.44 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.89 1gm0 h HIS 95 CO -0.22 0.00 -0.77 0.78 0.86 0.00 0.00 177.93 178.58 1gm0 h GLY 96 N 2.66 0.03 1.24 2.45 0.00 -0.30 -3.32 103.07 105.82 1gm0 h GLY 96 Ca 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 47.33 47.18 1gm0 h GLY 96 CO 0.00 0.04 -1.06 0.00 0.00 0.00 0.00 176.54 175.52 1gm0 h GLU 98 N 0.00 0.00 0.08 0.00 5.08 -1.49 -2.31 114.58 115.94 1gm0 h GLU 98 Ca -0.08 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.03 1gm0 h GLU 98 Cb 1.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 1gm0 h GLU 98 CO 0.04 0.00 -1.27 0.87 -1.00 0.00 0.00 179.01 177.65 1gm0 h LYS 99 N 0.00 0.18 -0.53 2.33 1.79 -1.62 -3.31 116.57 115.41 1gm0 h LYS 99 Ca 0.11 -0.31 -0.06 0.00 -2.18 0.00 0.00 60.65 58.21 1gm0 h LYS 99 Cb 0.48 0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.22 1gm0 h LYS 99 CO -0.00 1.15 0.08 0.66 -1.08 0.00 0.00 179.45 180.25 1gm0 h SER 100 N -0.48 0.80 -3.01 0.86 4.64 -1.56 -3.42 113.55 111.38 1gm0 h SER 100 Ca -0.29 -0.17 -0.54 0.00 -0.47 0.00 0.00 61.79 60.32 1gm0 h SER 100 Cb 1.62 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 63.49 1gm0 h SER 100 CO 0.01 0.82 0.74 -0.89 -0.87 0.00 0.00 176.83 176.64 1gm0 s THR 101 N -5.12 3.89 0.29 2.95 2.01 -0.87 -5.01 115.64 113.78 1gm0 s THR 101 Ca -0.10 1.28 -0.29 0.00 0.31 0.00 0.00 61.69 62.89 1gm0 s THR 101 Cb 0.15 -3.82 -0.10 0.00 0.01 0.00 0.00 72.50 68.74 1gm0 s THR 101 CO 0.81 0.02 1.15 -2.16 -0.69 0.00 0.00 174.62 173.75 1gm0 s PRO 102 N 2.03 4.57 -0.52 4.92 0.04 -1.26 -4.86 135.00 139.91 1gm0 s PRO 102 Ca 0.61 1.90 -0.26 0.00 0.04 0.00 0.00 61.00 63.29 1gm0 s PRO 102 Cb -0.29 -3.16 -0.08 0.00 0.04 0.00 0.00 34.50 31.00 1gm0 s PRO 102 CO 0.26 0.11 2.43 0.00 0.04 0.00 0.00 177.00 179.84 1gm0 n ALA 103 N 1.16 0.75 -1.85 8.56 0.00 -1.26 -4.91 120.51 122.96 1gm0 n ALA 103 Ca -0.01 -0.93 -0.34 0.00 0.00 0.00 0.00 53.44 52.17 1gm0 n ALA 103 Cb 0.44 -3.17 -0.07 0.00 0.00 0.00 0.00 19.45 16.65 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 12.10 7.00 0.31 0.00 3.84 -1.26 -4.99 114.94 131.95 1gm0 s ASN 104 Ca 1.00 1.67 0.02 0.00 0.21 0.00 0.00 52.86 55.76 1gm0 s ASN 104 Cb -0.22 -2.53 0.59 0.00 -0.55 0.00 0.00 41.25 38.54 1gm0 s ASN 104 CO 0.27 -0.28 1.91 -0.78 -2.79 0.00 0.00 177.10 175.43 1gm0 h ASP 105 N 2.23 0.85 -3.57 -4.21 3.58 -2.02 -3.40 116.42 109.87 1gm0 h ASP 105 Ca -0.48 0.01 -0.68 0.00 0.42 0.00 0.00 57.03 56.30 1gm0 h ASP 105 Cb 1.18 -0.17 -0.17 0.00 1.72 0.00 0.00 39.33 41.89 1gm0 h ASP 105 CO 0.62 0.53 -0.15 -0.62 -2.88 0.00 0.00 179.24 176.74 1gm0 s ASP 106 N -5.99 6.23 0.56 2.28 -1.08 -1.26 -4.93 116.67 112.48 1gm0 s ASP 106 Ca -0.11 -0.47 0.25 0.00 -0.52 0.00 0.00 52.55 51.70 1gm0 s ASP 106 Cb 0.20 -2.24 1.55 0.00 -1.46 0.00 0.00 42.92 40.97 1gm0 s ASP 106 CO 0.79 -0.56 2.15 0.11 0.52 0.00 0.00 175.17 178.18 1gm0 h LYS 107 N 8.67 0.00 0.61 4.34 6.56 -1.99 -1.27 116.57 133.48 1gm0 h LYS 107 Ca -0.27 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.29 1gm0 h LYS 107 Cb 1.12 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.78 1gm0 h LYS 107 CO 0.79 0.00 -0.29 0.00 -2.06 0.00 0.00 179.45 177.89 1gm0 h ILE 109 N -0.91 1.25 0.11 0.00 2.04 -1.70 -1.43 117.51 116.87 1gm0 h ILE 109 Ca -0.08 -0.75 0.01 0.00 1.00 0.00 0.00 64.86 65.05 1gm0 h ILE 109 Cb 0.66 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 1gm0 h ILE 109 CO 0.14 0.31 -0.20 -0.25 0.00 0.00 0.00 178.15 178.14 1gm0 h TRP 110 N 1.10 -0.53 -0.99 1.37 7.01 -1.23 -2.24 115.95 120.44 1gm0 h TRP 110 Ca 0.26 0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.33 1gm0 h TRP 110 Cb 0.16 0.22 -0.06 0.00 -2.10 0.00 0.00 29.16 27.38 1gm0 h TRP 110 CO 0.01 -0.30 0.64 1.15 -2.79 0.00 0.00 178.44 177.16 1gm0 h THR 111 N -0.39 1.10 -0.04 2.65 2.02 -0.14 0.93 112.91 119.05 1gm0 h THR 111 Ca 0.03 -0.40 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 1gm0 h THR 111 Cb 0.41 -0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.64 1gm0 h THR 111 CO -0.11 0.21 0.02 0.25 0.37 0.00 0.00 175.52 176.26 1gm0 h LEU 112 N 1.18 0.05 -0.48 2.58 7.12 -1.25 -1.06 115.31 123.44 1gm0 h LEU 112 Ca 0.42 -0.09 0.10 0.00 0.13 0.00 0.00 57.88 58.44 1gm0 h LEU 112 Cb 0.13 -0.01 -0.09 0.00 -0.53 0.00 0.00 40.66 40.15 1gm0 h LEU 112 CO -0.16 0.12 -0.14 1.23 -0.13 0.00 0.00 178.44 179.37 1gm0 h GLY 113 N -0.04 0.32 0.55 3.75 0.00 -0.45 0.10 103.07 107.31 1gm0 h GLY 113 Ca 0.01 0.18 0.04 0.00 0.00 0.00 0.00 47.33 47.56 1gm0 h GLY 113 CO -0.00 -0.19 -0.09 -2.08 0.00 0.00 0.00 176.54 174.18 1gm0 h VAL 114 N -0.02 0.72 -0.16 4.60 2.07 -0.77 -2.11 116.25 120.60 1gm0 h VAL 114 Ca 0.23 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.64 1gm0 h VAL 114 Cb 0.37 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1gm0 h VAL 114 CO -0.51 0.00 -0.39 0.00 0.02 0.00 0.00 177.57 176.69 1gm0 h ALA 115 N 1.09 1.04 -0.56 1.67 0.00 -0.19 0.62 119.26 122.93 1gm0 h ALA 115 Ca 0.10 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 1gm0 h ALA 115 Cb 0.21 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1gm0 h ALA 115 CO -0.22 0.60 0.16 1.15 0.00 0.00 0.00 179.25 180.95 1gm0 h THR 116 N 0.29 1.24 -0.43 0.00 2.02 -0.68 -1.83 112.91 113.52 1gm0 h THR 116 Ca 0.03 -0.83 0.03 0.00 0.77 0.00 0.00 66.41 66.41 1gm0 h THR 116 Cb 0.82 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 1gm0 h THR 116 CO 0.07 0.31 0.24 0.00 0.37 0.00 0.00 175.52 176.50 1gm0 h PHE 118 N 0.47 -1.15 -0.98 0.00 3.57 -0.50 -1.93 116.94 116.43 1gm0 h PHE 118 Ca 0.18 0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.84 1gm0 h PHE 118 Cb 0.04 0.48 -0.15 0.00 2.79 0.00 0.00 35.95 39.11 1gm0 h PHE 118 CO -0.08 -0.48 -0.43 1.17 -2.23 0.00 0.00 178.31 176.26 1gm0 n LYS 119 N -4.77 -0.28 -0.17 1.11 4.81 -0.72 -0.87 118.16 117.28 1gm0 n LYS 119 Ca -0.07 1.50 -0.02 0.00 -0.87 0.00 0.00 58.31 58.85 1gm0 n LYS 119 Cb 0.33 -2.22 0.08 0.00 0.02 0.00 0.00 35.03 33.24 1gm0 n LYS 119 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1gm0 h ALA 120 N 1.15 0.61 -0.11 3.14 0.00 -0.98 -0.95 119.26 122.12 1gm0 h ALA 120 Ca 0.30 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.23 1gm0 h ALA 120 Cb 0.54 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1gm0 h ALA 120 CO -0.96 -0.28 -0.27 0.93 0.00 0.00 0.00 179.25 178.67 1gm0 h GLU 121 N 0.27 0.20 -0.63 0.00 4.39 -0.22 -2.43 114.58 116.16 1gm0 h GLU 121 Ca 0.26 -0.07 0.04 0.00 0.34 0.00 0.00 59.36 59.93 1gm0 h GLU 121 Cb 0.35 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.94 1gm0 h GLU 121 CO -0.33 0.47 0.37 0.82 -1.16 0.00 0.00 179.01 179.18 1gm0 h ILE 122 N 0.18 1.04 0.00 3.13 2.04 0.09 -1.68 117.51 122.31 1gm0 h ILE 122 Ca 0.03 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1gm0 h ILE 122 Cb 0.58 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1gm0 h ILE 122 CO 0.04 0.13 0.00 1.57 0.00 0.00 0.00 178.15 179.89 1gm0 n HIS 123 N -4.75 0.28 0.94 1.37 -0.00 -0.50 -1.07 115.22 111.49 1gm0 n HIS 123 Ca 0.07 0.13 0.11 0.00 0.46 0.00 0.00 57.72 58.49 1gm0 n HIS 123 Cb 0.11 -0.70 0.09 0.00 -0.12 0.00 0.00 29.99 29.37 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 -1.77 2.14 -1.47 1.57 5.02 -0.66 -4.99 118.16 118.01 1gm0 n LYS 124 Ca 0.01 -1.84 -0.29 0.00 -2.02 0.00 0.00 58.31 54.16 1gm0 n LYS 124 Cb 0.09 -1.43 0.12 0.00 -0.02 0.00 0.00 35.03 33.79 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 -1.89 2.20 -0.15 -0.35 1.43 -0.23 -4.99 118.68 114.70 1gm0 s LEU 125 Ca 0.26 1.16 0.16 0.00 -1.03 0.00 0.00 54.13 54.69 1gm0 s LEU 125 Cb 0.19 -3.58 0.69 0.00 0.03 0.00 0.00 46.19 43.52 1gm0 s LEU 125 CO 0.28 -2.42 1.61 -3.20 0.23 0.00 0.00 176.35 172.85 1gm0 n ASN 126 N -3.71 4.80 -1.85 2.29 5.15 -1.26 -4.94 115.26 115.74 1gm0 n ASN 126 Ca 0.07 -2.66 -0.06 0.00 -0.60 0.00 0.00 54.58 51.33 1gm0 n ASN 126 Cb 0.58 -0.58 -0.02 0.00 -0.53 0.00 0.00 39.78 39.22 1gm0 n ASN 126 CO 0.00 0.00 0.00 -2.67 1.40 0.00 0.00 177.26 175.99 1gm0 n TRP 127 N 0.65 -0.07 -3.74 1.20 4.27 -1.26 -5.18 117.44 113.32 1gm0 n TRP 127 Ca 0.25 -0.67 -0.14 0.00 -3.89 0.00 0.00 57.50 53.05 1gm0 n TRP 127 Cb 0.95 0.03 -0.14 0.00 -1.36 0.00 0.00 31.31 30.79 1gm0 n TRP 127 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1gm0 s ALA 128 N -2.30 -0.31 0.66 -1.67 0.00 -1.26 -4.96 121.76 111.92 1gm0 s ALA 128 Ca 0.07 0.73 -0.06 0.00 0.00 0.00 0.00 51.96 52.70 1gm0 s ALA 128 Cb 0.00 -0.51 0.05 0.00 0.00 0.00 0.00 23.12 22.66 1gm0 s ALA 128 CO 0.05 -0.19 0.97 -1.25 0.00 0.00 0.00 175.76 175.34 1gm0 s PRO 129 N 1.26 2.41 0.46 0.00 0.04 -1.26 -5.08 135.00 132.83 1gm0 s PRO 129 Ca -0.08 -0.24 -0.20 0.00 0.04 0.00 0.00 61.00 60.52 1gm0 s PRO 129 Cb -0.11 -2.22 -0.10 0.00 0.04 0.00 0.00 34.50 32.11 1gm0 s PRO 129 CO -0.06 -1.06 0.97 -1.12 0.04 0.00 0.00 177.00 175.77 1gm0 s SER 130 N -4.46 6.78 0.24 6.66 0.01 -1.26 -4.95 113.70 116.72 1gm0 s SER 130 Ca 0.58 1.67 -0.05 0.00 1.31 0.00 0.00 55.95 59.46 1gm0 s SER 130 Cb -0.11 -2.53 0.39 0.00 0.21 0.00 0.00 66.02 63.98 1gm0 s SER 130 CO 0.44 -0.47 1.78 0.24 0.41 0.00 0.00 173.24 175.64 1gm0 h MET 131 N 1.56 0.62 -0.76 12.44 2.86 -1.96 -0.41 114.93 129.28 1gm0 h MET 131 Ca -0.48 -0.04 0.16 0.00 -2.06 0.00 0.00 59.70 57.27 1gm0 h MET 131 Cb 1.18 -0.14 -0.10 0.00 0.06 0.00 0.00 31.60 32.60 1gm0 h MET 131 CO 0.61 0.41 0.27 -0.44 1.06 0.00 0.00 176.91 178.82 1gm0 h ASP 132 N 0.64 0.20 0.16 1.22 3.32 -1.95 0.13 116.42 120.13 1gm0 h ASP 132 Ca 0.38 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.55 1gm0 h ASP 132 Cb 0.43 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1gm0 h ASP 132 CO -0.29 0.05 -0.08 0.58 -1.72 0.00 0.00 179.24 177.78 1gm0 h VAL 133 N 0.38 0.00 0.00 -1.35 2.07 -1.79 -1.67 116.25 113.89 1gm0 h VAL 133 Ca 0.43 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.82 1gm0 h VAL 133 Cb 0.70 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1gm0 h VAL 133 CO -0.45 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.14 1gm0 n ALA 134 N -2.21 1.47 -0.12 1.67 0.00 -0.22 -0.34 120.51 120.75 1gm0 n ALA 134 Ca -0.03 -0.03 -0.25 0.00 0.00 0.00 0.00 53.44 53.13 1gm0 n ALA 134 Cb 0.09 -1.13 -0.09 0.00 0.00 0.00 0.00 19.45 18.31 1gm0 n ALA 134 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1gm0 n VAL 135 N -1.38 1.52 -0.23 0.00 0.31 0.38 -4.44 118.33 114.49 1gm0 n VAL 135 Ca 0.03 -0.22 0.17 0.00 -0.01 0.00 0.00 64.34 64.32 1gm0 n VAL 135 Cb 0.08 -1.99 0.49 0.00 -0.91 0.00 0.00 33.84 31.51 1gm0 n VAL 135 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1gm0 h GLY 136 N -1.00 0.91 0.00 2.92 0.00 0.31 -1.12 103.07 105.09 1gm0 h GLY 136 Ca -0.52 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 46.58 1gm0 h GLY 136 CO -0.31 0.02 -0.13 0.83 0.00 0.00 0.00 176.54 176.94 1gm0 h GLU 137 N 0.46 0.00 0.00 4.80 5.08 -1.43 -1.09 114.58 122.40 1gm0 h GLU 137 Ca 0.45 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.81 1gm0 h GLU 137 Cb 1.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 1gm0 h GLU 137 CO -0.18 0.81 -0.02 0.97 -1.00 0.00 0.00 179.01 179.60 1gm0 h ILE 138 N -1.00 0.31 -0.09 3.13 2.10 -1.70 0.32 117.51 120.58 1gm0 h ILE 138 Ca -0.03 -0.11 -0.18 0.00 1.08 0.00 0.00 64.86 65.61 1gm0 h ILE 138 Cb 0.85 1.08 0.01 0.00 -1.09 0.00 0.00 36.82 37.68 1gm0 h ILE 138 CO -0.02 0.02 -0.66 -0.07 -1.08 0.00 0.00 178.15 176.34 1gm0 h LEU 139 N 0.00 0.74 -0.13 2.19 3.38 -1.28 -1.39 115.31 118.82 1gm0 h LEU 139 Ca -0.00 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.30 1gm0 h LEU 139 Cb 0.08 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1gm0 h LEU 139 CO 0.00 1.29 0.06 0.00 0.09 0.00 0.00 178.44 179.88 1gm0 n ALA 140 N -2.58 0.90 0.00 1.53 0.00 0.11 -4.28 120.51 116.18 1gm0 n ALA 140 Ca -0.09 0.02 -0.00 0.00 0.00 0.00 0.00 53.44 53.37 1gm0 n ALA 140 Cb 0.69 -0.92 -0.00 0.00 0.00 0.00 0.00 19.45 19.21 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 -1.52 0.01 0.00 0.00 1.02 -0.70 -0.36 120.64 119.08 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 0.06 -0.14 0.01 0.00 -0.02 0.00 0.00 31.44 31.35 1gm0 n GLU 141 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59