#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 0.64 -0.33 4.33 -2.07 -1.26 -5.08 119.66 115.89 1gm0 s GLN 2 Ca 0.00 -0.84 0.17 0.00 -1.82 0.00 0.00 55.36 52.87 1gm0 s GLN 2 Cb 0.00 -0.48 0.45 0.00 -1.09 0.00 0.00 33.01 31.89 1gm0 s GLN 2 CO 0.00 0.10 1.14 -0.85 -1.32 0.00 0.00 175.29 174.35 1gm0 n GLU 3 N 1.37 1.30 -2.67 9.60 0.28 -1.26 -4.90 120.64 124.36 1gm0 n GLU 3 Ca -0.22 -2.78 -0.09 0.00 -0.16 0.00 0.00 57.16 53.91 1gm0 n GLU 3 Cb 0.55 -0.88 0.03 0.00 1.43 0.00 0.00 31.44 32.57 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 -0.45 1.19 -2.22 3.84 0.31 -1.26 -4.85 118.33 114.89 1gm0 n VAL 4 Ca 0.03 -3.19 0.03 0.00 -0.01 0.00 0.00 64.34 61.20 1gm0 n VAL 4 Cb 0.83 0.62 0.03 0.00 -0.91 0.00 0.00 33.84 34.41 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 -0.22 0.16 -0.90 5.55 2.81 -1.26 -4.97 117.12 118.28 1gm0 n MET 5 Ca 0.12 -1.78 -0.30 0.00 -1.81 0.00 0.00 57.70 53.93 1gm0 n MET 5 Cb 0.81 -0.33 0.24 0.00 -0.71 0.00 0.00 33.22 33.23 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 -0.33 -1.25 0.06 0.03 1.02 -1.26 -4.91 119.74 113.11 1gm0 s LYS 6 Ca 0.23 0.17 -0.35 0.00 0.02 0.00 0.00 55.97 56.05 1gm0 s LYS 6 Cb 0.26 -1.57 -0.14 0.00 -0.52 0.00 0.00 37.83 35.86 1gm0 s LYS 6 CO -0.10 -3.78 1.63 -1.71 -0.92 0.00 0.00 175.35 170.47 1gm0 n ASN 7 N -4.85 2.92 -2.19 2.83 4.05 -1.26 -4.22 115.26 112.54 1gm0 n ASN 7 Ca 0.10 1.06 0.00 0.00 0.45 0.00 0.00 54.58 56.19 1gm0 n ASN 7 Cb 0.59 -1.36 0.00 0.00 1.23 0.00 0.00 39.78 40.24 1gm0 n ASN 7 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 1gm0 n LEU 8 N 4.20 -5.30 0.03 1.20 -0.00 -1.26 -5.01 117.00 110.85 1gm0 n LEU 8 Ca 0.19 2.71 -0.20 0.00 -0.00 0.00 0.00 56.01 58.71 1gm0 n LEU 8 Cb 0.27 -2.94 -0.14 0.00 -0.00 0.00 0.00 43.42 40.60 1gm0 n LEU 8 CO 0.67 -2.26 -0.06 0.28 -0.00 0.00 0.00 177.39 176.02 1gm0 h SER 9 N 4.26 0.40 -3.95 1.96 0.02 -1.94 -3.48 113.55 110.82 1gm0 h SER 9 Ca 0.00 -0.92 -0.55 0.00 -0.84 0.00 0.00 61.79 59.48 1gm0 h SER 9 Cb 0.00 -0.13 0.12 0.00 0.14 0.00 0.00 62.40 62.53 1gm0 h SER 9 CO 0.00 1.42 0.72 0.18 -1.14 0.00 0.00 176.83 178.01 1gm0 n LEU 10 N -4.13 5.03 -2.93 5.07 4.77 -1.26 -4.84 117.00 118.71 1gm0 n LEU 10 Ca -0.17 1.15 -0.31 0.00 -0.03 0.00 0.00 56.01 56.65 1gm0 n LEU 10 Cb 0.81 -1.61 -0.07 0.00 -2.33 0.00 0.00 43.42 40.23 1gm0 n LEU 10 CO 0.45 -0.09 2.80 -3.20 -1.33 0.00 0.00 177.39 176.02 1gm0 n ASN 11 N -0.03 7.69 0.02 -1.43 2.85 -0.65 -4.58 115.26 119.13 1gm0 n ASN 11 Ca 0.04 -2.60 0.07 0.00 -0.11 0.00 0.00 54.58 51.98 1gm0 n ASN 11 Cb 0.41 -1.50 0.48 0.00 1.24 0.00 0.00 39.78 40.41 1gm0 n ASN 11 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 1gm0 h PHE 12 N 4.36 0.41 -0.39 1.20 0.04 -1.88 -2.65 116.94 118.03 1gm0 h PHE 12 Ca 0.66 0.01 0.08 0.00 2.80 0.00 0.00 57.97 61.52 1gm0 h PHE 12 Cb 0.64 -0.14 -0.08 0.00 2.20 0.00 0.00 35.95 38.57 1gm0 h PHE 12 CO 1.83 0.24 -0.16 0.78 -0.60 0.00 0.00 178.31 180.41 1gm0 h GLY 13 N 0.43 0.17 0.61 -1.45 0.00 -1.97 0.29 103.07 101.15 1gm0 h GLY 13 Ca 0.16 0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.68 1gm0 h GLY 13 CO -0.04 -0.18 -0.08 0.50 0.00 0.00 0.00 176.54 176.75 1gm0 h LYS 14 N -0.08 -0.21 -0.80 4.80 1.79 -1.86 -0.77 116.57 119.45 1gm0 h LYS 14 Ca 0.19 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.72 1gm0 h LYS 14 Cb 0.37 0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 31.02 1gm0 h LYS 14 CO -0.45 0.15 0.53 0.00 -1.08 0.00 0.00 179.45 178.60 1gm0 h ALA 15 N 0.14 1.55 -0.36 3.86 0.00 -1.24 -1.87 119.26 121.34 1gm0 h ALA 15 Ca -0.02 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1gm0 h ALA 15 Cb 0.45 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1gm0 h ALA 15 CO 0.04 0.36 -0.20 -0.07 0.00 0.00 0.00 179.25 179.37 1gm0 h LEU 16 N 0.95 0.81 -2.05 0.00 3.38 -0.43 0.61 115.31 118.58 1gm0 h LEU 16 Ca 0.33 -0.42 0.09 0.00 0.09 0.00 0.00 57.88 57.97 1gm0 h LEU 16 Cb 0.10 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1gm0 h LEU 16 CO -0.10 1.05 0.37 -0.78 0.09 0.00 0.00 178.44 179.06 1gm0 h ASP 17 N 0.57 0.00 0.01 -0.43 3.58 -0.31 0.26 116.42 120.10 1gm0 h ASP 17 Ca 0.08 0.00 -0.41 0.00 0.42 0.00 0.00 57.03 57.12 1gm0 h ASP 17 Cb 0.75 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.74 1gm0 h ASP 17 CO 0.06 0.00 -2.37 -0.62 -2.88 0.00 0.00 179.24 173.43 1gm0 n GLU 18 N -3.64 0.62 -0.15 0.28 1.02 -0.99 -4.13 120.64 113.66 1gm0 n GLU 18 Ca 0.05 0.25 -0.03 0.00 -0.02 0.00 0.00 57.16 57.40 1gm0 n GLU 18 Cb 0.51 -1.54 0.06 0.00 -0.02 0.00 0.00 31.44 30.45 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 0.26 0.00 0.06 0.00 5.09 -0.69 -0.86 116.57 120.43 1gm0 h LYS 20 Ca 0.24 0.00 -0.15 0.00 0.09 0.00 0.00 60.65 60.83 1gm0 h LYS 20 Cb 0.30 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.63 1gm0 h LYS 20 CO -0.29 0.00 -0.72 0.87 -2.09 0.00 0.00 179.45 177.22 1gm0 h LYS 21 N 0.00 0.13 -0.47 0.07 1.57 -1.39 -1.77 116.57 114.71 1gm0 h LYS 21 Ca 0.19 -0.23 0.06 0.00 -1.87 0.00 0.00 60.65 58.81 1gm0 h LYS 21 Cb 0.82 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 33.16 1gm0 h LYS 21 CO -0.00 1.11 0.17 0.93 -0.57 0.00 0.00 179.45 181.08 1gm0 h GLU 22 N -0.68 0.33 0.00 3.15 5.08 0.04 -2.44 114.58 120.06 1gm0 h GLU 22 Ca -0.16 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1gm0 h GLU 22 Cb 1.38 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1gm0 h GLU 22 CO 0.02 0.22 -0.64 -1.33 -1.00 0.00 0.00 179.01 176.28 1gm0 n MET 23 N -5.01 0.12 -3.74 2.33 0.00 -0.44 -4.98 117.12 105.40 1gm0 n MET 23 Ca 0.04 0.02 -0.33 0.00 0.00 0.00 0.00 57.70 57.44 1gm0 n MET 23 Cb 0.19 -1.56 0.04 0.00 0.00 0.00 0.00 33.22 31.88 1gm0 n MET 23 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1gm0 n THR 24 N -1.73 -5.32 -1.58 2.03 -1.04 -0.92 -5.03 114.28 100.68 1gm0 n THR 24 Ca 0.04 -0.89 -0.30 0.00 -2.04 0.00 0.00 64.05 60.86 1gm0 n THR 24 Cb 0.38 -4.01 0.19 0.00 -1.82 0.00 0.00 70.33 65.07 1gm0 n THR 24 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1gm0 s LEU 25 N -6.61 1.91 0.00 -4.42 1.43 -0.69 -5.02 118.68 105.27 1gm0 s LEU 25 Ca 0.44 0.51 -0.19 0.00 -1.03 0.00 0.00 54.13 53.85 1gm0 s LEU 25 Cb -0.17 -2.49 0.28 0.00 0.03 0.00 0.00 46.19 43.84 1gm0 s LEU 25 CO 0.87 -3.16 1.06 0.35 0.23 0.00 0.00 176.35 175.70 1gm0 n THR 26 N -4.10 0.00 -0.07 5.49 -2.24 -1.26 -4.87 114.28 107.23 1gm0 n THR 26 Ca 0.13 -0.52 -0.16 0.00 -2.27 0.00 0.00 64.05 61.23 1gm0 n THR 26 Cb 0.59 -1.27 -0.14 0.00 -2.10 0.00 0.00 70.33 67.42 1gm0 n THR 26 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1gm0 n ASP 27 N -4.62 1.47 0.10 3.42 8.00 -1.26 -4.30 116.55 119.36 1gm0 n ASP 27 Ca 0.14 0.06 0.05 0.00 0.71 0.00 0.00 54.79 55.76 1gm0 n ASP 27 Cb 0.55 -0.20 0.28 0.00 -0.02 0.00 0.00 41.12 41.73 1gm0 n ASP 27 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gm0 n ALA 28 N -2.99 0.83 0.12 2.24 0.00 -1.26 -2.98 120.51 116.48 1gm0 n ALA 28 Ca -0.35 0.10 0.19 0.00 0.00 0.00 0.00 53.44 53.37 1gm0 n ALA 28 Cb 1.05 -0.97 0.77 0.00 0.00 0.00 0.00 19.45 20.30 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 0.47 0.00 0.00 -0.00 -1.96 0.13 117.51 116.15 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 0.24 0.73 0.00 0.00 -0.00 0.00 0.00 36.82 37.79 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 -3.86 0.52 -0.10 2.16 5.15 -1.16 -1.46 115.26 116.52 1gm0 n ASN 30 Ca 0.06 0.64 -0.20 0.00 -0.60 0.00 0.00 54.58 54.47 1gm0 n ASN 30 Cb 0.51 -0.74 -0.07 0.00 -0.53 0.00 0.00 39.78 38.94 1gm0 n ASN 30 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1gm0 n GLU 31 N -2.08 0.43 -0.18 1.20 -0.58 -0.16 -4.69 120.64 114.58 1gm0 n GLU 31 Ca 0.02 0.17 -0.10 0.00 -0.42 0.00 0.00 57.16 56.83 1gm0 n GLU 31 Cb 0.21 -1.23 0.01 0.00 -0.57 0.00 0.00 31.44 29.85 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 -0.58 0.95 0.94 1.62 3.58 -0.62 0.22 116.42 122.54 1gm0 h ASP 32 Ca -0.49 -0.33 -0.01 0.00 0.42 0.00 0.00 57.03 56.62 1gm0 h ASP 32 Cb 1.48 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 42.27 1gm0 h ASP 32 CO -0.26 1.06 -0.03 0.15 -2.88 0.00 0.00 179.24 177.28 1gm0 h PHE 33 N 0.83 0.00 0.14 0.28 3.04 -1.50 -2.65 116.94 117.07 1gm0 h PHE 33 Ca 0.14 0.00 -0.31 0.00 3.98 0.00 0.00 57.97 61.78 1gm0 h PHE 33 Cb 0.61 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.12 1gm0 h PHE 33 CO 0.04 0.03 -1.51 1.88 -2.02 0.00 0.00 178.31 176.73 1gm0 h TYR 34 N 0.00 0.53 -0.97 0.41 -1.99 -1.49 -3.35 116.97 110.11 1gm0 h TYR 34 Ca -0.00 -0.39 0.08 0.00 2.00 0.00 0.00 58.73 60.42 1gm0 h TYR 34 Cb 0.51 -0.02 -0.07 0.00 2.00 0.00 0.00 36.73 39.15 1gm0 h TYR 34 CO 0.00 1.42 0.62 -0.91 -0.00 0.00 0.00 178.16 179.28 1gm0 h ASN 35 N 0.08 0.96 -1.09 3.88 2.35 -0.25 -2.07 115.58 119.45 1gm0 h ASN 35 Ca -0.24 0.02 0.34 0.00 -0.55 0.00 0.00 56.30 55.87 1gm0 h ASN 35 Cb 2.03 -0.18 -0.13 0.00 0.05 0.00 0.00 38.32 40.09 1gm0 h ASN 35 CO 0.18 0.59 0.66 0.15 -1.65 0.00 0.00 177.43 177.36 1gm0 h PHE 36 N 1.08 0.78 -0.10 1.19 3.57 -1.66 -0.09 116.94 121.71 1gm0 h PHE 36 Ca 0.44 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.80 1gm0 h PHE 36 Cb 0.25 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1gm0 h PHE 36 CO -0.01 -0.15 -0.64 -1.49 -2.23 0.00 0.00 178.31 173.79 1gm0 h TRP 37 N 0.27 0.52 -3.90 0.41 6.55 -1.60 -3.44 115.95 114.76 1gm0 h TRP 37 Ca 0.73 -0.21 -0.52 0.00 0.95 0.00 0.00 58.89 59.84 1gm0 h TRP 37 Cb 1.88 -0.09 0.07 0.00 -0.86 0.00 0.00 29.16 30.16 1gm0 h TRP 37 CO -0.01 0.93 0.64 0.15 -1.05 0.00 0.00 178.44 179.10 1gm0 s LYS 38 N -3.76 4.23 0.39 0.49 1.02 -0.05 -4.93 119.74 117.13 1gm0 s LYS 38 Ca -0.06 2.22 -0.26 0.00 0.02 0.00 0.00 55.97 57.90 1gm0 s LYS 38 Cb 0.11 -2.98 -0.09 0.00 -0.52 0.00 0.00 37.83 34.36 1gm0 s LYS 38 CO 0.83 -0.29 1.17 -1.21 -0.92 0.00 0.00 175.35 174.93 1gm0 s GLU 39 N -1.94 4.12 0.00 1.68 0.41 -1.26 -2.53 118.70 119.18 1gm0 s GLU 39 Ca 0.51 1.86 0.00 0.00 -0.41 0.00 0.00 54.97 56.93 1gm0 s GLU 39 Cb -0.40 -2.74 0.00 0.00 -1.78 0.00 0.00 34.13 29.22 1gm0 s GLU 39 CO 0.52 -0.27 0.00 0.41 -0.49 0.00 0.00 175.26 175.43 1gm0 n GLY 40 N 0.67 2.38 3.54 -1.39 0.00 -1.26 -4.99 105.19 104.15 1gm0 n GLY 40 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.04 2.35 -0.72 1.61 2.02 -1.05 -4.91 117.35 113.61 1gm0 s TYR 41 Ca 0.00 -0.19 -0.07 0.00 -0.37 0.00 0.00 57.07 56.44 1gm0 s TYR 41 Cb 0.00 -4.61 -0.18 0.00 -0.40 0.00 0.00 41.96 36.78 1gm0 s TYR 41 CO 0.00 -2.02 3.18 -1.91 -1.57 0.00 0.00 175.55 173.22 1gm0 n GLU 42 N 9.16 2.64 -2.60 -0.62 2.13 -1.26 -4.49 120.64 125.61 1gm0 n GLU 42 Ca 0.06 -1.49 -0.43 0.00 0.66 0.00 0.00 57.16 55.96 1gm0 n GLU 42 Cb 0.49 -2.34 -0.00 0.00 0.27 0.00 0.00 31.44 29.86 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 1.68 4.18 -1.12 6.31 -1.09 -1.26 -4.73 121.20 125.16 1gm0 s ILE 43 Ca 0.65 -1.96 0.16 0.00 -2.23 0.00 0.00 60.65 57.26 1gm0 s ILE 43 Cb 0.24 -5.18 0.65 0.00 -1.58 0.00 0.00 42.46 36.59 1gm0 s ILE 43 CO -0.03 -2.00 1.54 0.29 -1.23 0.00 0.00 174.94 173.51 1gm0 n LYS 44 N 8.23 3.53 -1.67 2.79 4.76 -1.26 -4.87 118.16 129.67 1gm0 n LYS 44 Ca 0.48 -2.57 -0.31 0.00 -2.87 0.00 0.00 58.31 53.05 1gm0 n LYS 44 Cb 0.46 -1.86 0.04 0.00 -1.84 0.00 0.00 35.03 31.82 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 -0.83 5.64 0.07 4.39 2.47 -1.26 -4.97 114.94 120.45 1gm0 s ASN 45 Ca 0.46 1.57 -0.26 0.00 0.42 0.00 0.00 52.86 55.05 1gm0 s ASN 45 Cb 0.30 -2.49 -0.12 0.00 -1.45 0.00 0.00 41.25 37.50 1gm0 s ASN 45 CO 0.21 -1.27 1.41 0.03 -3.72 0.00 0.00 177.10 173.76 1gm0 h ARG 46 N -0.57 -0.60 -0.90 0.43 3.08 -1.95 -2.67 114.38 111.20 1gm0 h ARG 46 Ca -0.44 0.04 0.15 0.00 0.07 0.00 0.00 59.98 59.81 1gm0 h ARG 46 Cb 1.20 0.14 -0.07 0.00 0.08 0.00 0.00 29.97 31.32 1gm0 h ARG 46 CO 0.58 -0.40 0.58 0.93 -1.07 0.00 0.00 179.97 180.59 1gm0 h GLU 47 N -0.63 0.63 0.00 0.04 5.08 -1.94 -1.64 114.58 116.13 1gm0 h GLU 47 Ca -0.02 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1gm0 h GLU 47 Cb 0.59 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1gm0 h GLU 47 CO -0.15 0.42 -0.20 1.15 -1.00 0.00 0.00 179.01 179.23 1gm0 h THR 48 N 0.65 1.01 0.00 1.13 2.02 -1.83 0.21 112.91 116.10 1gm0 h THR 48 Ca 0.46 -0.72 -0.15 0.00 0.77 0.00 0.00 66.41 66.77 1gm0 h THR 48 Cb 0.79 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.58 1gm0 h THR 48 CO -0.21 0.20 -1.11 1.23 0.37 0.00 0.00 175.52 176.00 1gm0 h GLY 49 N 0.72 0.00 1.24 2.16 0.00 -1.32 -3.25 103.07 102.64 1gm0 h GLY 49 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.24 1gm0 h GLY 49 CO 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.56 1gm0 h ALA 51 N 1.15 -0.87 -0.51 0.00 0.00 -0.80 0.54 119.26 118.77 1gm0 h ALA 51 Ca 0.16 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.04 1gm0 h ALA 51 Cb 0.51 0.68 -0.10 0.00 0.00 0.00 0.00 17.79 18.87 1gm0 h ALA 51 CO 0.03 -1.04 -0.33 0.82 0.00 0.00 0.00 179.25 178.72 1gm0 h ILE 52 N -0.77 0.20 0.08 0.00 2.04 -1.54 0.31 117.51 117.82 1gm0 h ILE 52 Ca -0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 1gm0 h ILE 52 Cb 0.73 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1gm0 h ILE 52 CO -0.16 0.00 -0.04 -0.03 0.00 0.00 0.00 178.15 177.92 1gm0 h MET 53 N -0.20 -0.11 -0.45 2.37 4.05 -0.77 0.93 114.93 120.75 1gm0 h MET 53 Ca 0.21 0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.57 1gm0 h MET 53 Cb 0.54 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.35 1gm0 h MET 53 CO -0.62 -0.07 0.04 0.00 0.23 0.00 0.00 176.91 176.48 1gm0 h LEU 55 N 0.68 0.00 0.00 0.00 3.38 -0.30 -2.61 115.31 116.47 1gm0 h LEU 55 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1gm0 h LEU 55 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1gm0 h LEU 55 CO 0.01 0.20 0.00 -1.54 0.09 0.00 0.00 178.44 177.20 1gm0 n SER 56 N -3.67 0.00 -1.42 -0.43 3.41 0.26 -1.19 113.62 110.58 1gm0 n SER 56 Ca -0.01 0.18 0.03 0.00 -0.26 0.00 0.00 58.87 58.81 1gm0 n SER 56 Cb 0.32 -0.28 0.08 0.00 -0.26 0.00 0.00 64.21 64.06 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 -1.28 0.88 -1.33 6.66 5.66 -0.98 -4.60 114.28 119.29 1gm0 n THR 57 Ca 0.03 -2.00 0.08 0.00 -3.05 0.00 0.00 64.05 59.11 1gm0 n THR 57 Cb 0.05 0.58 0.11 0.00 -1.55 0.00 0.00 70.33 69.53 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 -0.13 1.01 -0.14 1.09 4.76 -0.33 -4.86 118.16 119.56 1gm0 n LYS 58 Ca 0.12 -2.30 0.10 0.00 -2.87 0.00 0.00 58.31 53.35 1gm0 n LYS 58 Cb 0.98 -1.27 0.43 0.00 -1.84 0.00 0.00 35.03 33.32 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 0.10 0.52 -1.63 -0.35 3.38 -1.84 0.13 115.31 115.61 1gm0 h LEU 59 Ca -0.01 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1gm0 h LEU 59 Cb 1.10 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 1gm0 h LEU 59 CO 0.00 0.32 0.32 -1.13 0.09 0.00 0.00 178.44 178.04 1gm0 h ASN 60 N 0.58 0.41 0.09 -0.43 -1.24 -1.81 0.55 115.58 113.73 1gm0 h ASN 60 Ca 0.31 -0.00 -0.28 0.00 0.71 0.00 0.00 56.30 57.03 1gm0 h ASN 60 Cb 0.43 -0.09 0.03 0.00 0.73 0.00 0.00 38.32 39.42 1gm0 h ASN 60 CO -0.10 0.27 -1.15 0.24 -1.29 0.00 0.00 177.43 175.40 1gm0 h MET 61 N 0.47 0.62 -0.21 6.67 2.86 -1.15 -3.36 114.93 120.82 1gm0 h MET 61 Ca 0.20 -0.79 -0.14 0.00 -2.06 0.00 0.00 59.70 56.92 1gm0 h MET 61 Cb 0.22 0.25 0.00 0.00 0.06 0.00 0.00 31.60 32.13 1gm0 h MET 61 CO -0.05 1.35 -0.40 -0.07 1.06 0.00 0.00 176.91 178.80 1gm0 h LEU 62 N 0.24 0.72 -8.07 1.22 3.38 -0.86 -3.41 115.31 108.53 1gm0 h LEU 62 Ca -0.17 -0.54 -0.72 0.00 0.09 0.00 0.00 57.88 56.54 1gm0 h LEU 62 Cb 1.83 -0.21 -0.29 0.00 0.09 0.00 0.00 40.66 42.09 1gm0 h LEU 62 CO 0.22 1.13 -0.47 -0.62 0.09 0.00 0.00 178.44 178.79 1gm0 s ASP 63 N -6.64 5.61 0.41 -0.43 -1.08 0.13 -1.64 116.67 113.04 1gm0 s ASP 63 Ca -0.12 -1.60 0.22 0.00 -0.52 0.00 0.00 52.55 50.52 1gm0 s ASP 63 Cb 0.08 -1.97 0.82 0.00 -1.46 0.00 0.00 42.92 40.38 1gm0 s ASP 63 CO 0.83 -0.56 1.79 1.55 0.52 0.00 0.00 175.17 179.30 1gm0 h PRO 64 N 8.38 0.00 0.00 4.34 0.13 -1.80 -2.30 132.00 140.75 1gm0 h PRO 64 Ca -0.22 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.81 1gm0 h PRO 64 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1gm0 h PRO 64 CO 0.77 0.28 -0.47 0.93 -0.23 0.00 0.00 178.00 179.28 1gm0 h GLU 65 N 0.00 0.00 -0.41 0.86 5.08 -1.94 -3.48 114.58 114.69 1gm0 h GLU 65 Ca -0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 1gm0 h GLU 65 Cb 0.81 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1gm0 h GLU 65 CO 0.04 0.47 -0.09 0.41 -1.00 0.00 0.00 179.01 178.84 1gm0 n GLY 66 N 0.23 0.36 0.19 -3.84 0.00 -0.87 -4.99 105.19 96.27 1gm0 n GLY 66 Ca -0.01 -0.79 -0.14 0.00 0.00 0.00 0.00 46.02 45.08 1gm0 n GLY 66 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1gm0 h ASN 67 N 0.00 -0.33 -1.94 1.61 2.35 -1.93 -3.42 115.58 111.92 1gm0 h ASN 67 Ca -0.08 -0.13 -0.51 0.00 -0.55 0.00 0.00 56.30 55.03 1gm0 h ASN 67 Cb 0.79 0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.24 1gm0 h ASN 67 CO 0.10 -0.05 1.48 -0.22 -1.65 0.00 0.00 177.43 177.09 1gm0 s LEU 68 N -9.71 3.39 0.49 1.61 2.96 -1.26 -4.85 118.68 111.31 1gm0 s LEU 68 Ca -0.15 0.98 0.02 0.00 -0.22 0.00 0.00 54.13 54.77 1gm0 s LEU 68 Cb 0.03 -2.79 0.02 0.00 0.50 0.00 0.00 46.19 43.95 1gm0 s LEU 68 CO 0.59 -2.43 0.70 -1.00 -1.32 0.00 0.00 176.35 172.88 1gm0 s HIS 69 N 9.94 2.98 0.22 5.38 3.76 -1.21 -4.60 115.29 131.77 1gm0 s HIS 69 Ca 0.86 -0.00 -0.26 0.00 -0.15 0.00 0.00 55.06 55.50 1gm0 s HIS 69 Cb -0.18 -2.53 -0.09 0.00 1.11 0.00 0.00 32.58 30.89 1gm0 s HIS 69 CO 0.27 -0.61 0.85 -1.58 -0.85 0.00 0.00 174.74 172.82 1gm0 s HIS 70 N -2.61 3.88 -1.61 1.40 2.46 -1.26 -3.81 115.29 113.73 1gm0 s HIS 70 Ca 0.54 1.73 0.00 0.00 0.47 0.00 0.00 55.06 57.79 1gm0 s HIS 70 Cb -0.10 -2.85 0.00 0.00 -0.13 0.00 0.00 32.58 29.50 1gm0 s HIS 70 CO 0.37 0.43 0.00 0.41 -2.47 0.00 0.00 174.74 173.48 1gm0 n GLY 71 N 1.31 1.44 2.84 1.59 0.00 0.47 -4.86 105.19 107.98 1gm0 n GLY 71 Ca -0.03 0.00 -0.03 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 -2.41 -1.44 0.00 1.61 2.47 -1.25 -5.02 114.94 108.90 1gm0 s ASN 72 Ca 0.00 -1.56 0.07 0.00 0.42 0.00 0.00 52.86 51.78 1gm0 s ASN 72 Cb 0.00 1.89 0.11 0.00 -1.45 0.00 0.00 41.25 41.80 1gm0 s ASN 72 CO 0.00 -0.07 0.89 0.00 -3.72 0.00 0.00 177.10 174.20 1gm0 n ALA 73 N 3.23 2.33 0.00 1.71 0.00 -1.26 -3.28 120.51 123.24 1gm0 n ALA 73 Ca 0.17 -0.77 -0.03 0.00 0.00 0.00 0.00 53.44 52.81 1gm0 n ALA 73 Cb 0.56 -0.24 0.22 0.00 0.00 0.00 0.00 19.45 19.99 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 1.27 0.52 0.11 0.00 2.86 -1.95 -0.92 114.93 116.81 1gm0 h MET 74 Ca 0.00 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.47 1gm0 h MET 74 Cb 0.42 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.04 1gm0 h MET 74 CO 0.00 0.67 -0.05 0.93 1.06 0.00 0.00 176.91 179.52 1gm0 h GLU 75 N 0.47 -0.14 -0.79 1.72 5.08 -1.95 0.24 114.58 119.21 1gm0 h GLU 75 Ca 0.08 0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.62 1gm0 h GLU 75 Cb 0.56 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.73 1gm0 h GLU 75 CO 0.04 0.21 0.26 0.35 -1.00 0.00 0.00 179.01 178.86 1gm0 h PHE 76 N -0.50 0.43 -0.37 4.33 3.57 -1.86 -0.98 116.94 121.57 1gm0 h PHE 76 Ca -0.01 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1gm0 h PHE 76 Cb 0.41 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 1gm0 h PHE 76 CO 0.04 -0.04 0.19 0.00 -2.23 0.00 0.00 178.31 176.26 1gm0 h ALA 77 N 1.63 0.47 -0.16 2.41 0.00 -0.80 -2.83 119.26 119.97 1gm0 h ALA 77 Ca 0.45 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 1gm0 h ALA 77 Cb 0.78 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1gm0 h ALA 77 CO -0.49 0.02 -0.03 0.87 0.00 0.00 0.00 179.25 179.61 1gm0 h LYS 78 N 0.46 0.23 0.00 0.00 1.57 0.23 0.10 116.57 119.15 1gm0 h LYS 78 Ca 0.13 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1gm0 h LYS 78 Cb 0.10 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 1gm0 h LYS 78 CO -0.02 0.28 -0.00 0.87 -0.57 0.00 0.00 179.45 180.01 1gm0 h LYS 79 N 0.23 0.00 0.00 3.15 1.57 -0.94 -2.56 116.57 118.01 1gm0 h LYS 79 Ca 0.05 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 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 0.00 -0.34 0.72 -0.57 0.00 0.00 179.45 179.27 1gm0 n HIS 80 N -3.22 0.00 -0.11 -1.35 8.25 -0.01 -4.98 115.22 113.80 1gm0 n HIS 80 Ca -0.03 -1.31 0.00 0.00 -0.26 0.00 0.00 57.72 56.12 1gm0 n HIS 80 Cb 0.08 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 30.97 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 -1.20 1.91 3.57 -1.41 0.00 -0.96 -4.95 105.19 102.16 1gm0 n GLY 81 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.81 2.89 1.27 4.61 0.00 -1.02 -4.96 121.76 121.74 1gm0 s ALA 82 Ca 0.00 -0.95 -0.21 0.00 0.00 0.00 0.00 51.96 50.80 1gm0 s ALA 82 Cb 0.00 -4.11 0.31 0.00 0.00 0.00 0.00 23.12 19.32 1gm0 s ALA 82 CO 0.00 -2.89 1.09 0.16 0.00 0.00 0.00 175.76 174.12 1gm0 s ASP 83 N 3.44 0.34 0.37 0.00 1.47 -1.26 -1.99 116.67 119.04 1gm0 s ASP 83 Ca 0.42 0.56 0.05 0.00 1.18 0.00 0.00 52.55 54.77 1gm0 s ASP 83 Cb -0.08 -0.74 0.74 0.00 -0.34 0.00 0.00 42.92 42.50 1gm0 s ASP 83 CO 0.22 -4.47 1.98 -0.33 0.68 0.00 0.00 175.17 173.26 1gm0 h GLU 84 N -2.82 0.72 -0.08 2.11 5.08 -1.96 0.19 114.58 117.82 1gm0 h GLU 84 Ca -0.43 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 57.87 1gm0 h GLU 84 Cb 1.29 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 1gm0 h GLU 84 CO 0.29 0.48 -0.02 1.15 -1.00 0.00 0.00 179.01 179.90 1gm0 h THR 85 N 0.75 1.30 -0.98 1.13 2.02 -1.98 0.15 112.91 115.29 1gm0 h THR 85 Ca 0.27 -0.96 0.04 0.00 0.77 0.00 0.00 66.41 66.53 1gm0 h THR 85 Cb 0.15 1.77 -0.06 0.00 -1.74 0.00 0.00 68.15 68.27 1gm0 h THR 85 CO -0.08 0.27 0.64 0.24 0.37 0.00 0.00 175.52 176.96 1gm0 h MET 86 N -0.17 1.20 0.56 6.66 2.86 -1.59 0.15 114.93 124.60 1gm0 h MET 86 Ca 0.02 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 1gm0 h MET 86 Cb 0.44 -0.27 0.01 0.00 0.06 0.00 0.00 31.60 31.83 1gm0 h MET 86 CO 0.01 0.80 -0.27 0.00 1.06 0.00 0.00 176.91 178.51 1gm0 h ALA 87 N 1.43 -0.75 -0.33 6.32 0.00 -0.62 -3.13 119.26 122.18 1gm0 h ALA 87 Ca 0.39 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1gm0 h ALA 87 Cb 0.01 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1gm0 h ALA 87 CO -0.12 -0.85 0.22 0.37 0.00 0.00 0.00 179.25 178.87 1gm0 h GLN 88 N -0.89 0.37 -0.72 0.00 5.75 -0.22 0.31 115.11 119.70 1gm0 h GLN 88 Ca -0.08 -0.02 0.15 0.00 -0.15 0.00 0.00 58.65 58.55 1gm0 h GLN 88 Cb 0.63 -0.08 -0.10 0.00 1.07 0.00 0.00 27.48 28.99 1gm0 h GLN 88 CO 0.13 0.24 0.19 1.96 -2.65 0.00 0.00 178.83 178.70 1gm0 h GLN 89 N 0.38 0.29 0.07 1.69 1.08 -0.71 0.45 115.11 118.35 1gm0 h GLN 89 Ca 0.13 -0.02 -0.25 0.00 -1.45 0.00 0.00 58.65 57.06 1gm0 h GLN 89 Cb 0.05 -0.06 0.02 0.00 -0.05 0.00 0.00 27.48 27.44 1gm0 h GLN 89 CO -0.03 0.19 -1.00 -0.07 -0.95 0.00 0.00 178.83 176.97 1gm0 h LEU 90 N 0.30 0.77 -1.29 1.46 3.38 -0.45 -3.23 115.31 116.25 1gm0 h LEU 90 Ca 0.40 -0.80 -0.05 0.00 0.09 0.00 0.00 57.88 57.52 1gm0 h LEU 90 Cb 0.66 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1gm0 h LEU 90 CO -0.47 1.48 -0.05 0.40 0.09 0.00 0.00 178.44 179.89 1gm0 h ILE 91 N 0.15 1.19 -0.42 1.22 5.03 -0.65 0.71 117.51 124.73 1gm0 h ILE 91 Ca -0.14 -0.78 0.00 0.00 -0.12 0.00 0.00 64.86 63.82 1gm0 h ILE 91 Cb 1.70 1.03 -0.02 0.00 -3.03 0.00 0.00 36.82 36.50 1gm0 h ILE 91 CO 0.19 0.26 0.28 -0.78 -0.68 0.00 0.00 178.15 177.42 1gm0 h ASP 92 N 0.41 0.48 -0.44 1.72 3.58 -1.01 -1.67 116.42 119.48 1gm0 h ASP 92 Ca 0.09 -0.01 0.04 0.00 0.42 0.00 0.00 57.03 57.56 1gm0 h ASP 92 Cb 0.34 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.24 1gm0 h ASP 92 CO 0.01 0.35 0.21 0.40 -2.88 0.00 0.00 179.24 177.34 1gm0 h ILE 93 N 0.57 0.96 -0.10 2.25 2.04 -1.47 0.25 117.51 122.00 1gm0 h ILE 93 Ca 0.15 -0.15 0.04 0.00 1.00 0.00 0.00 64.86 65.91 1gm0 h ILE 93 Cb -0.06 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 36.46 1gm0 h ILE 93 CO -0.03 0.08 -0.17 0.58 0.00 0.00 0.00 178.15 178.60 1gm0 h VAL 94 N 0.43 0.55 0.00 1.67 2.07 0.01 0.85 116.25 121.82 1gm0 h VAL 94 Ca 0.19 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.71 1gm0 h VAL 94 Cb 0.11 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1gm0 h VAL 94 CO -0.14 0.00 0.00 0.45 0.02 0.00 0.00 177.57 177.90 1gm0 h HIS 95 N -0.23 0.00 0.00 1.57 3.86 -1.32 -2.86 115.15 116.17 1gm0 h HIS 95 Ca 0.09 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.17 1gm0 h HIS 95 Cb 0.36 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.81 1gm0 h HIS 95 CO -0.27 0.00 -0.60 0.78 0.86 0.00 0.00 177.93 178.69 1gm0 h GLY 96 N 3.57 0.00 0.90 2.45 0.00 0.01 -3.34 103.07 106.66 1gm0 h GLY 96 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1gm0 h GLY 96 CO 0.00 0.00 -1.11 0.00 0.00 0.00 0.00 176.54 175.43 1gm0 h GLU 98 N 0.00 0.00 0.00 0.00 5.08 -1.67 -2.44 114.58 115.55 1gm0 h GLU 98 Ca -0.01 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 1gm0 h GLU 98 Cb 1.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 1gm0 h GLU 98 CO 0.00 0.00 -0.54 0.87 -1.00 0.00 0.00 179.01 178.35 1gm0 h LYS 99 N 0.00 0.00 -0.78 2.33 1.79 -1.69 -3.36 116.57 114.87 1gm0 h LYS 99 Ca 0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1gm0 h LYS 99 Cb 0.30 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.92 1gm0 h LYS 99 CO 0.00 0.64 0.46 0.66 -1.08 0.00 0.00 179.45 180.13 1gm0 h SER 100 N -1.00 0.94 -2.56 0.86 4.64 -1.64 -3.39 113.55 111.40 1gm0 h SER 100 Ca -0.12 -0.07 -0.55 0.00 -0.47 0.00 0.00 61.79 60.57 1gm0 h SER 100 Cb 0.84 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 1gm0 h SER 100 CO -0.07 0.74 1.15 -0.89 -0.87 0.00 0.00 176.83 176.89 1gm0 s THR 101 N -5.94 3.48 0.56 2.95 2.01 -0.92 -5.00 115.64 112.78 1gm0 s THR 101 Ca -0.13 0.56 -0.18 0.00 0.31 0.00 0.00 61.69 62.25 1gm0 s THR 101 Cb 0.15 -3.42 -0.05 0.00 0.01 0.00 0.00 72.50 69.20 1gm0 s THR 101 CO 0.80 -0.11 1.11 -2.16 -0.69 0.00 0.00 174.62 173.57 1gm0 s PRO 102 N 4.45 3.29 -0.83 4.92 0.04 -1.26 -4.81 135.00 140.80 1gm0 s PRO 102 Ca 0.77 1.51 -0.25 0.00 0.04 0.00 0.00 61.00 63.07 1gm0 s PRO 102 Cb -0.33 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.14 1gm0 s PRO 102 CO 0.32 -0.88 2.08 0.00 0.04 0.00 0.00 177.00 178.56 1gm0 s ALA 103 N -1.96 1.45 0.44 8.56 0.00 -1.26 -4.89 121.76 124.10 1gm0 s ALA 103 Ca 0.70 -1.18 -0.24 0.00 0.00 0.00 0.00 51.96 51.24 1gm0 s ALA 103 Cb -0.22 -4.53 -0.08 0.00 0.00 0.00 0.00 23.12 18.29 1gm0 s ALA 103 CO 0.30 -5.02 1.20 1.21 0.00 0.00 0.00 175.76 173.45 1gm0 s ASN 104 N 8.97 6.24 0.57 0.00 3.84 -1.26 -4.92 114.94 128.38 1gm0 s ASN 104 Ca 0.77 2.40 0.32 0.00 0.21 0.00 0.00 52.86 56.56 1gm0 s ASN 104 Cb -0.09 -2.61 1.73 0.00 -0.55 0.00 0.00 41.25 39.72 1gm0 s ASN 104 CO 0.05 -0.88 2.17 -0.78 -2.79 0.00 0.00 177.10 174.87 1gm0 h ASP 105 N 2.29 0.00 -3.51 -4.21 3.58 -2.02 -3.40 116.42 109.15 1gm0 h ASP 105 Ca -0.49 0.00 -0.72 0.00 0.42 0.00 0.00 57.03 56.24 1gm0 h ASP 105 Cb 1.25 0.00 -0.23 0.00 1.72 0.00 0.00 39.33 42.07 1gm0 h ASP 105 CO 0.61 0.06 -0.45 -0.62 -2.88 0.00 0.00 179.24 175.96 1gm0 s ASP 106 N -5.93 5.97 0.37 2.28 -1.08 -1.26 -4.96 116.67 112.06 1gm0 s ASP 106 Ca -0.03 -1.00 0.06 0.00 -0.52 0.00 0.00 52.55 51.05 1gm0 s ASP 106 Cb 0.13 -2.11 0.72 0.00 -1.46 0.00 0.00 42.92 40.20 1gm0 s ASP 106 CO 0.54 -0.45 1.96 0.50 0.52 0.00 0.00 175.17 178.24 1gm0 h LYS 107 N 8.57 0.54 -0.57 4.34 3.11 -1.99 0.73 116.57 131.29 1gm0 h LYS 107 Ca -0.26 -0.07 0.04 0.00 -2.81 0.00 0.00 60.65 57.54 1gm0 h LYS 107 Cb 1.11 -0.10 -0.04 0.00 -1.00 0.00 0.00 32.23 32.20 1gm0 h LYS 107 CO 0.72 0.47 0.32 0.00 -2.81 0.00 0.00 179.45 178.15 1gm0 h ILE 109 N 0.62 1.38 0.09 0.00 2.04 -1.56 -2.08 117.51 118.00 1gm0 h ILE 109 Ca 0.24 -1.88 0.01 0.00 1.00 0.00 0.00 64.86 64.24 1gm0 h ILE 109 Cb 0.10 2.28 -0.03 0.00 -0.74 0.00 0.00 36.82 38.42 1gm0 h ILE 109 CO -0.14 0.56 -0.38 -0.25 0.00 0.00 0.00 178.15 177.94 1gm0 h TRP 110 N 0.07 -1.11 -0.83 1.37 7.01 -0.79 -1.25 115.95 120.42 1gm0 h TRP 110 Ca -0.04 0.03 0.20 0.00 2.11 0.00 0.00 58.89 61.19 1gm0 h TRP 110 Cb 1.18 0.47 -0.12 0.00 -2.10 0.00 0.00 29.16 28.59 1gm0 h TRP 110 CO 0.12 -0.43 0.26 1.15 -2.79 0.00 0.00 178.44 176.74 1gm0 h THR 111 N -0.55 0.44 -0.36 2.65 2.02 -0.98 0.68 112.91 116.81 1gm0 h THR 111 Ca -0.01 -0.10 -0.08 0.00 0.77 0.00 0.00 66.41 66.99 1gm0 h THR 111 Cb 0.55 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 1gm0 h THR 111 CO -0.21 0.05 -0.12 0.25 0.37 0.00 0.00 175.52 175.87 1gm0 h LEU 112 N 0.29 0.61 0.23 2.58 5.85 -1.11 0.18 115.31 123.94 1gm0 h LEU 112 Ca 0.50 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 59.06 1gm0 h LEU 112 Cb 0.93 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 1gm0 h LEU 112 CO -0.56 0.76 -0.40 1.23 -0.34 0.00 0.00 178.44 179.13 1gm0 h GLY 113 N 0.96 -0.87 0.63 3.75 0.00 0.28 -0.10 103.07 107.73 1gm0 h GLY 113 Ca 0.10 0.48 0.05 0.00 0.00 0.00 0.00 47.33 47.95 1gm0 h GLY 113 CO 0.03 -0.29 0.08 -2.08 0.00 0.00 0.00 176.54 174.29 1gm0 h VAL 114 N -0.71 0.86 -0.41 4.60 2.07 -0.74 -1.08 116.25 120.84 1gm0 h VAL 114 Ca 0.00 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 1gm0 h VAL 114 Cb 0.69 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1gm0 h VAL 114 CO -0.17 0.04 0.07 0.00 0.02 0.00 0.00 177.57 177.53 1gm0 h ALA 115 N 1.24 1.35 -0.03 1.67 0.00 -0.88 0.48 119.26 123.09 1gm0 h ALA 115 Ca 0.16 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1gm0 h ALA 115 Cb 0.16 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1gm0 h ALA 115 CO -0.19 0.46 0.01 1.15 0.00 0.00 0.00 179.25 180.68 1gm0 h THR 116 N 0.60 1.16 -0.43 0.00 2.02 -0.46 -3.04 112.91 112.78 1gm0 h THR 116 Ca 0.13 -0.48 0.06 0.00 0.77 0.00 0.00 66.41 66.90 1gm0 h THR 116 Cb 0.28 1.43 -0.06 0.00 -1.74 0.00 0.00 68.15 68.06 1gm0 h THR 116 CO 0.00 0.13 0.10 0.00 0.37 0.00 0.00 175.52 176.12 1gm0 h PHE 118 N 0.24 -1.27 -0.74 0.00 3.57 -0.87 -1.41 116.94 116.47 1gm0 h PHE 118 Ca 0.21 0.04 0.15 0.00 3.53 0.00 0.00 57.97 61.89 1gm0 h PHE 118 Cb 0.24 0.54 -0.14 0.00 2.79 0.00 0.00 35.95 39.39 1gm0 h PHE 118 CO -0.20 -0.48 -0.20 -0.22 -2.23 0.00 0.00 178.31 174.98 1gm0 h LYS 119 N -0.59 -0.01 0.00 1.11 3.11 -1.41 0.43 116.57 119.21 1gm0 h LYS 119 Ca 0.00 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.83 1gm0 h LYS 119 Cb 0.61 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.84 1gm0 h LYS 119 CO -0.26 -0.01 -0.07 0.00 -2.81 0.00 0.00 179.45 176.30 1gm0 h ALA 120 N 1.68 1.19 0.19 5.00 0.00 -0.77 -1.89 119.26 124.66 1gm0 h ALA 120 Ca 0.35 -0.07 -0.34 0.00 0.00 0.00 0.00 54.91 54.86 1gm0 h ALA 120 Cb 0.55 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.34 1gm0 h ALA 120 CO -0.77 0.09 -1.61 0.93 0.00 0.00 0.00 179.25 177.90 1gm0 h GLU 121 N 0.00 0.41 -0.99 0.00 4.39 0.04 -3.33 114.58 115.09 1gm0 h GLU 121 Ca -0.00 -0.70 0.17 0.00 0.34 0.00 0.00 59.36 59.17 1gm0 h GLU 121 Cb 0.29 0.26 -0.10 0.00 -0.10 0.00 0.00 28.75 29.11 1gm0 h GLU 121 CO 0.01 1.32 0.62 0.82 -1.16 0.00 0.00 179.01 180.62 1gm0 h ILE 122 N 0.11 0.76 -0.26 3.13 2.04 -0.35 -0.60 117.51 122.34 1gm0 h ILE 122 Ca -0.29 -0.27 0.07 0.00 1.00 0.00 0.00 64.86 65.37 1gm0 h ILE 122 Cb 2.10 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1gm0 h ILE 122 CO 0.21 0.14 0.24 -0.74 0.00 0.00 0.00 178.15 178.00 1gm0 h HIS 123 N 0.79 0.00 0.00 1.37 2.76 -1.50 -0.25 115.15 118.33 1gm0 h HIS 123 Ca 0.55 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.63 1gm0 h HIS 123 Cb 0.82 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.77 1gm0 h HIS 123 CO -0.00 0.00 -0.47 0.87 -1.30 0.00 0.00 177.93 177.02 1gm0 h LYS 124 N 0.00 0.00 -7.23 5.26 1.57 -1.27 -3.47 116.57 111.43 1gm0 h LYS 124 Ca 0.12 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.38 1gm0 h LYS 124 Cb 0.60 0.00 0.15 0.00 0.08 0.00 0.00 32.23 33.06 1gm0 h LYS 124 CO -0.00 0.42 0.33 -0.51 -0.57 0.00 0.00 179.45 179.12 1gm0 s LEU 125 N -6.39 3.15 0.00 2.94 1.43 -0.11 -4.92 118.68 114.79 1gm0 s LEU 125 Ca 0.04 2.15 0.29 0.00 -1.03 0.00 0.00 54.13 55.57 1gm0 s LEU 125 Cb 0.07 -4.56 1.27 0.00 0.03 0.00 0.00 46.19 43.00 1gm0 s LEU 125 CO 0.74 -2.32 1.94 -3.20 0.23 0.00 0.00 176.35 173.73 1gm0 n ASN 126 N -3.21 0.00 -4.40 2.29 5.15 -1.26 -4.80 115.26 109.03 1gm0 n ASN 126 Ca 0.12 0.39 -0.24 0.00 -0.60 0.00 0.00 54.58 54.25 1gm0 n ASN 126 Cb 0.52 -0.46 -0.10 0.00 -0.53 0.00 0.00 39.78 39.21 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 -2.92 1.94 -0.25 1.20 1.48 -1.26 -5.15 118.94 113.98 1gm0 s TRP 127 Ca 0.16 -1.03 -0.02 0.00 -1.06 0.00 0.00 56.10 54.15 1gm0 s TRP 127 Cb 0.19 -1.29 0.08 0.00 -1.16 0.00 0.00 33.47 31.28 1gm0 s TRP 127 CO 0.51 -0.04 0.07 0.00 -4.06 0.00 0.00 176.95 173.44 1gm0 s ALA 128 N -3.23 1.10 0.68 2.67 0.00 -1.26 -4.90 121.76 116.82 1gm0 s ALA 128 Ca 0.31 -1.08 -0.17 0.00 0.00 0.00 0.00 51.96 51.02 1gm0 s ALA 128 Cb 0.07 -1.36 0.01 0.00 0.00 0.00 0.00 23.12 21.83 1gm0 s ALA 128 CO 0.15 -1.43 1.28 -2.14 0.00 0.00 0.00 175.76 173.62 1gm0 s PRO 129 N 1.83 2.39 0.84 0.00 0.02 -1.26 -5.01 135.00 133.81 1gm0 s PRO 129 Ca 0.04 2.02 -0.11 0.00 0.02 0.00 0.00 61.00 62.97 1gm0 s PRO 129 Cb -0.17 -1.83 0.10 0.00 0.02 0.00 0.00 34.50 32.62 1gm0 s PRO 129 CO -0.19 -1.71 1.10 -1.12 -0.33 0.00 0.00 177.00 174.74 1gm0 s SER 130 N -1.52 3.87 0.31 2.53 0.01 -1.26 -4.76 113.70 112.87 1gm0 s SER 130 Ca 0.81 1.74 0.01 0.00 1.31 0.00 0.00 55.95 59.82 1gm0 s SER 130 Cb -0.36 -2.40 0.49 0.00 0.21 0.00 0.00 66.02 63.96 1gm0 s SER 130 CO 0.42 -2.43 1.86 0.24 0.41 0.00 0.00 173.24 173.74 1gm0 h MET 131 N -1.40 0.73 0.06 12.44 2.86 -1.97 0.22 114.93 127.87 1gm0 h MET 131 Ca -0.46 -0.14 0.03 0.00 -2.06 0.00 0.00 59.70 57.07 1gm0 h MET 131 Cb 1.26 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 32.75 1gm0 h MET 131 CO 0.51 0.66 -0.36 0.38 1.06 0.00 0.00 176.91 179.17 1gm0 h ASP 132 N 0.71 -1.07 0.00 1.22 2.03 -1.97 0.33 116.42 117.67 1gm0 h ASP 132 Ca 0.16 0.13 0.00 0.00 -0.73 0.00 0.00 57.03 56.59 1gm0 h ASP 132 Cb 0.27 0.41 0.00 0.00 -0.83 0.00 0.00 39.33 39.18 1gm0 h ASP 132 CO -0.00 -0.43 0.00 0.52 -1.03 0.00 0.00 179.24 178.30 1gm0 n VAL 133 N -5.43 0.00 0.07 4.15 0.31 -1.04 -0.78 118.33 115.61 1gm0 n VAL 133 Ca -0.06 1.47 -0.12 0.00 -0.01 0.00 0.00 64.34 65.63 1gm0 n VAL 133 Cb 0.35 -2.43 -0.05 0.00 -0.91 0.00 0.00 33.84 30.80 1gm0 n VAL 133 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1gm0 h ALA 134 N -1.91 -0.42 0.00 3.52 0.00 -0.93 0.14 119.26 119.67 1gm0 h ALA 134 Ca 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1gm0 h ALA 134 Cb 0.00 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1gm0 h ALA 134 CO 0.00 -0.80 -0.49 0.28 0.00 0.00 0.00 179.25 178.25 1gm0 h VAL 135 N -0.44 1.16 -0.58 0.00 2.07 -1.05 -2.70 116.25 114.69 1gm0 h VAL 135 Ca 0.05 -1.79 -0.03 0.00 0.82 0.00 0.00 66.70 65.75 1gm0 h VAL 135 Cb 0.52 2.02 -0.03 0.00 -1.52 0.00 0.00 31.29 32.28 1gm0 h VAL 135 CO -0.22 0.48 0.23 1.23 0.02 0.00 0.00 177.57 179.31 1gm0 h GLY 136 N 1.93 0.94 0.49 2.17 0.00 0.65 -2.76 103.07 106.49 1gm0 h GLY 136 Ca -0.00 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 46.81 1gm0 h GLY 136 CO 0.06 0.48 -0.02 0.83 0.00 0.00 0.00 176.54 177.89 1gm0 h GLU 137 N 0.81 -0.07 -0.49 4.80 5.08 -0.62 -1.91 114.58 122.18 1gm0 h GLU 137 Ca 0.19 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.58 1gm0 h GLU 137 Cb 0.21 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1gm0 h GLU 137 CO -0.02 0.41 0.32 0.97 -1.00 0.00 0.00 179.01 179.70 1gm0 h ILE 138 N -0.58 1.07 -0.38 3.13 2.10 -1.54 -0.64 117.51 120.67 1gm0 h ILE 138 Ca -0.01 -0.20 -0.11 0.00 1.08 0.00 0.00 64.86 65.63 1gm0 h ILE 138 Cb 0.51 0.44 -0.01 0.00 -1.09 0.00 0.00 36.82 36.67 1gm0 h ILE 138 CO 0.01 0.10 -0.21 -0.07 -1.08 0.00 0.00 178.15 176.90 1gm0 h LEU 139 N 0.58 0.75 -1.81 2.19 3.38 -1.40 0.18 115.31 119.18 1gm0 h LEU 139 Ca 0.19 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1gm0 h LEU 139 Cb 0.06 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1gm0 h LEU 139 CO -0.05 0.94 0.33 0.00 0.09 0.00 0.00 178.44 179.76 1gm0 h ALA 140 N 1.11 1.32 0.00 1.53 0.00 -0.28 -3.39 119.26 119.56 1gm0 h ALA 140 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1gm0 h ALA 140 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1gm0 h ALA 140 CO 0.05 -0.32 0.00 0.39 0.00 0.00 0.00 179.25 179.37 1gm0 n GLU 141 N -2.76 0.00 0.00 0.00 1.02 -0.66 -0.40 120.64 117.84 1gm0 n GLU 141 Ca -0.02 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.16 1gm0 n GLU 141 Cb 0.38 -0.22 0.22 0.00 -0.02 0.00 0.00 31.44 31.80 1gm0 n GLU 141 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59