#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gc4 n PRO 2 N 0.00 0.12 -3.65 0.00 -0.02 -1.26 -4.91 135.00 125.27 2gc4 n PRO 2 Ca 0.00 0.04 -0.37 0.00 -2.02 0.00 0.00 63.50 61.16 2gc4 n PRO 2 Cb 0.00 -1.56 -0.10 0.00 -0.02 0.00 0.00 33.50 31.82 2gc4 n PRO 2 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2gc4 s GLN 3 N 2.52 4.06 -0.34 -0.52 -0.21 -1.26 -5.03 119.66 118.87 2gc4 s GLN 3 Ca 1.02 -0.27 -0.09 0.00 0.02 0.00 0.00 55.36 56.04 2gc4 s GLN 3 Cb -1.42 -3.55 0.02 0.00 1.00 0.00 0.00 33.01 29.06 2gc4 s GLN 3 CO 0.76 0.04 0.15 -0.06 -2.12 0.00 0.00 175.29 174.05 2gc4 s PHE 4 N 1.13 3.22 0.14 0.91 0.08 -1.26 -5.01 117.98 117.19 2gc4 s PHE 4 Ca 0.07 -1.06 0.08 0.00 0.12 0.00 0.00 56.93 56.15 2gc4 s PHE 4 Cb -0.14 -2.35 -0.04 0.00 -0.57 0.00 0.00 43.02 39.93 2gc4 s PHE 4 CO 0.05 -0.64 -0.19 -0.06 -0.10 0.00 0.00 175.22 174.28 2gc4 s PHE 5 N 1.51 1.80 0.08 0.36 0.08 -1.26 -1.89 117.98 118.66 2gc4 s PHE 5 Ca 0.01 -0.45 -0.31 0.00 0.12 0.00 0.00 56.93 56.30 2gc4 s PHE 5 Cb -0.19 -0.93 -0.08 0.00 -0.57 0.00 0.00 43.02 41.25 2gc4 s PHE 5 CO 0.05 0.28 1.52 1.21 -0.10 0.00 0.00 175.22 178.17 2gc4 s ASN 6 N -2.35 6.70 0.30 1.36 3.84 0.12 -4.82 114.94 120.09 2gc4 s ASN 6 Ca 0.12 2.40 0.23 0.00 0.21 0.00 0.00 52.86 55.82 2gc4 s ASN 6 Cb -0.07 -2.57 1.09 0.00 -0.55 0.00 0.00 41.25 39.14 2gc4 s ASN 6 CO 0.06 -0.78 1.70 2.30 -2.79 0.00 0.00 177.10 177.58 2gc4 n ILE 7 N 4.38 0.91 -0.10 -5.21 -5.35 -1.26 -1.25 119.36 111.47 2gc4 n ILE 7 Ca 0.14 0.46 -0.13 0.00 -0.27 0.00 0.00 62.75 62.95 2gc4 n ILE 7 Cb 0.41 -1.43 -0.04 0.00 -1.74 0.00 0.00 39.64 36.84 2gc4 n ILE 7 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 2gc4 n ILE 8 N -2.28 1.49 0.56 7.28 -0.00 -1.26 -4.69 119.36 120.46 2gc4 n ILE 8 Ca 0.00 0.05 0.12 0.00 -0.00 0.00 0.00 62.75 62.92 2gc4 n ILE 8 Cb 0.14 -2.26 0.20 0.00 -0.00 0.00 0.00 39.64 37.73 2gc4 n ILE 8 CO 0.00 0.00 0.00 -0.90 -0.00 0.00 0.00 176.55 175.65 2gc4 n ASP 9 N -4.44 3.22 0.00 4.38 3.85 -1.25 -4.97 116.55 117.35 2gc4 n ASP 9 Ca -0.21 -1.97 0.00 0.00 -0.71 0.00 0.00 54.79 51.89 2gc4 n ASP 9 Cb 0.56 -0.17 0.00 0.00 -1.35 0.00 0.00 41.12 40.16 2gc4 n ASP 9 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2gc4 n GLY 10 N 1.45 0.17 3.83 6.12 0.00 -0.38 -4.97 105.19 111.40 2gc4 n GLY 10 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2gc4 n GLY 10 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gc4 s SER 11 N -2.04 6.77 0.26 1.61 1.04 -1.26 -4.56 113.70 115.53 2gc4 s SER 11 Ca 0.00 1.67 -0.30 0.00 0.48 0.00 0.00 55.95 57.80 2gc4 s SER 11 Cb 0.00 -2.53 -0.10 0.00 0.10 0.00 0.00 66.02 63.49 2gc4 s SER 11 CO 0.00 -0.48 1.44 -2.16 0.98 0.00 0.00 173.24 173.02 2gc4 s PRO 12 N -3.49 4.26 0.23 4.02 0.04 -1.26 0.15 135.00 138.94 2gc4 s PRO 12 Ca 0.61 2.32 -0.30 0.00 0.04 0.00 0.00 61.00 63.68 2gc4 s PRO 12 Cb -0.10 -3.10 -0.09 0.00 0.04 0.00 0.00 34.50 31.26 2gc4 s PRO 12 CO 0.20 -0.42 1.17 -0.51 0.04 0.00 0.00 177.00 177.48 2gc4 s LEU 13 N -0.53 4.48 -0.45 -3.56 1.43 -0.79 -4.81 118.68 114.44 2gc4 s LEU 13 Ca 0.59 2.27 -0.15 0.00 -1.03 0.00 0.00 54.13 55.81 2gc4 s LEU 13 Cb -0.42 -3.62 0.06 0.00 0.03 0.00 0.00 46.19 42.24 2gc4 s LEU 13 CO 0.45 -0.31 0.37 0.21 0.23 0.00 0.00 176.35 177.30 2gc4 s ASN 14 N -0.24 6.14 0.00 2.29 2.47 -1.26 -4.93 114.94 119.41 2gc4 s ASN 14 Ca 0.50 -1.18 0.22 0.00 0.42 0.00 0.00 52.86 52.82 2gc4 s ASN 14 Cb -0.33 -2.18 1.27 0.00 -1.45 0.00 0.00 41.25 38.56 2gc4 s ASN 14 CO 0.39 -0.59 1.70 0.49 -3.72 0.00 0.00 177.10 175.38 2gc4 n PHE 15 N 5.21 0.00 1.87 0.43 3.01 -1.26 -2.84 117.46 123.88 2gc4 n PHE 15 Ca -0.12 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.45 2gc4 n PHE 15 Cb 0.45 -0.07 0.63 0.00 -0.01 0.00 0.00 39.48 40.48 2gc4 n PHE 15 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2gc4 n ASP 16 N -1.07 0.00 -0.03 4.37 10.43 -1.26 -3.06 116.55 125.93 2gc4 n ASP 16 Ca 0.15 -1.20 0.02 0.00 2.57 0.00 0.00 54.79 56.33 2gc4 n ASP 16 Cb 0.10 0.00 -0.12 0.00 1.84 0.00 0.00 41.12 42.94 2gc4 n ASP 16 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 2gc4 n ASP 17 N -0.86 1.29 -4.69 -2.24 10.43 -1.13 -5.01 116.55 114.35 2gc4 n ASP 17 Ca 0.16 0.00 -0.36 0.00 2.57 0.00 0.00 54.79 57.16 2gc4 n ASP 17 Cb 0.07 1.39 0.08 0.00 1.84 0.00 0.00 41.12 44.50 2gc4 n ASP 17 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2gc4 n ALA 18 N -2.26 0.56 -1.36 2.24 0.00 -1.17 -4.77 120.51 113.75 2gc4 n ALA 18 Ca -0.12 -0.09 -0.36 0.00 0.00 0.00 0.00 53.44 52.87 2gc4 n ALA 18 Cb 0.65 -2.25 0.09 0.00 0.00 0.00 0.00 19.45 17.94 2gc4 n ALA 18 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2gc4 n MET 19 N -2.03 0.51 0.11 0.00 2.81 -1.23 -4.92 117.12 112.37 2gc4 n MET 19 Ca 0.15 0.23 -0.03 0.00 -1.81 0.00 0.00 57.70 56.24 2gc4 n MET 19 Cb 0.49 -2.23 0.04 0.00 -0.71 0.00 0.00 33.22 30.80 2gc4 n MET 19 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 2gc4 h GLU 20 N -0.25 0.00 -6.37 0.03 4.81 -1.96 -3.45 114.58 107.40 2gc4 h GLU 20 Ca -0.47 0.00 -0.54 0.00 -0.13 0.00 0.00 59.36 58.22 2gc4 h GLU 20 Cb 1.33 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.69 2gc4 h GLU 20 CO 0.47 0.76 -0.19 -1.83 -0.73 0.00 0.00 179.01 177.49 2gc4 s GLU 21 N -3.13 3.67 0.00 1.92 -1.05 -1.26 -4.32 118.70 114.53 2gc4 s GLU 21 Ca 0.00 0.04 0.00 0.00 -0.15 0.00 0.00 54.97 54.86 2gc4 s GLU 21 Cb 0.11 -2.71 0.00 0.00 -0.44 0.00 0.00 34.13 31.08 2gc4 s GLU 21 CO 0.78 0.33 0.00 0.41 0.95 0.00 0.00 175.26 177.73 2gc4 n GLY 22 N -0.40 0.74 0.00 -3.83 0.00 -1.26 -4.56 105.19 95.88 2gc4 n GLY 22 Ca -0.01 -0.67 0.04 0.00 0.00 0.00 0.00 46.02 45.37 2gc4 n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gc4 n ARG 23 N -1.91 0.64 0.04 1.61 1.74 -1.26 -1.71 116.66 115.81 2gc4 n ARG 23 Ca 0.00 -0.06 0.13 0.00 -0.77 0.00 0.00 57.85 57.15 2gc4 n ARG 23 Cb 0.15 -1.14 0.47 0.00 -1.02 0.00 0.00 32.46 30.93 2gc4 n ARG 23 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2gc4 n ASP 24 N -1.69 0.37 -4.68 0.55 5.68 -1.26 -4.50 116.55 111.02 2gc4 n ASP 24 Ca -0.01 0.41 -0.35 0.00 -0.50 0.00 0.00 54.79 54.34 2gc4 n ASP 24 Cb 0.18 -0.45 0.11 0.00 -1.14 0.00 0.00 41.12 39.81 2gc4 n ASP 24 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2gc4 n THR 25 N -1.79 2.75 0.07 2.12 -2.24 -1.26 -4.85 114.28 109.07 2gc4 n THR 25 Ca 0.06 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2gc4 n THR 25 Cb 0.38 -1.23 0.31 0.00 -2.10 0.00 0.00 70.33 67.70 2gc4 n THR 25 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2gc4 h GLU 26 N -0.50 0.35 -0.29 -0.78 4.57 -2.00 -2.52 114.58 113.41 2gc4 h GLU 26 Ca -0.47 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 57.59 2gc4 h GLU 26 Cb 1.31 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.85 2gc4 h GLU 26 CO 0.47 0.50 0.09 0.00 -1.18 0.00 0.00 179.01 178.90 2gc4 h ALA 27 N 1.52 0.38 -0.29 2.92 0.00 -1.97 -1.78 119.26 120.04 2gc4 h ALA 27 Ca 0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2gc4 h ALA 27 Cb 0.46 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2gc4 h ALA 27 CO 0.03 0.01 0.10 0.28 0.00 0.00 0.00 179.25 179.66 2gc4 h VAL 28 N 0.31 1.19 -0.55 0.00 2.07 -1.83 0.05 116.25 117.50 2gc4 h VAL 28 Ca 0.09 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.00 2gc4 h VAL 28 Cb 0.23 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 2gc4 h VAL 28 CO -0.00 0.21 0.35 0.11 0.02 0.00 0.00 177.57 178.25 2gc4 h LYS 29 N 0.32 0.73 -0.75 1.57 1.57 -1.43 -0.25 116.57 118.32 2gc4 h LYS 29 Ca 0.10 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 2gc4 h LYS 29 Cb 0.23 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 2gc4 h LYS 29 CO -0.00 0.51 0.24 1.25 -0.57 0.00 0.00 179.45 180.88 2gc4 h HIS 30 N 0.74 1.20 0.01 -1.35 2.76 -1.16 -2.14 115.15 115.21 2gc4 h HIS 30 Ca 0.20 -0.12 -0.00 0.00 -2.20 0.00 0.00 60.37 58.25 2gc4 h HIS 30 Cb -0.05 -0.35 0.00 0.00 1.55 0.00 0.00 27.41 28.56 2gc4 h HIS 30 CO -0.03 0.94 -0.00 0.35 -1.30 0.00 0.00 177.93 177.88 2gc4 h PHE 31 N 1.11 -0.01 0.00 5.26 3.57 -0.50 0.29 116.94 126.66 2gc4 h PHE 31 Ca 0.24 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.74 2gc4 h PHE 31 Cb 0.29 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.04 2gc4 h PHE 31 CO 0.02 0.28 0.00 -0.07 -2.23 0.00 0.00 178.31 176.32 2gc4 h LEU 32 N -0.31 0.00 0.08 0.59 3.38 -1.01 1.06 115.31 119.11 2gc4 h LEU 32 Ca -0.00 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.60 2gc4 h LEU 32 Cb 0.30 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2gc4 h LEU 32 CO 0.00 0.00 -2.10 1.21 0.09 0.00 0.00 178.44 177.64 2gc4 n GLU 33 N -2.88 0.72 -0.00 1.13 2.13 -0.81 -4.52 120.64 116.41 2gc4 n GLU 33 Ca -0.01 0.23 0.01 0.00 0.66 0.00 0.00 57.16 58.05 2gc4 n GLU 33 Cb 0.15 -1.67 -0.01 0.00 0.27 0.00 0.00 31.44 30.18 2gc4 n GLU 33 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2gc4 n THR 34 N -3.38 0.00 -1.06 6.31 -2.24 0.99 -4.49 114.28 110.41 2gc4 n THR 34 Ca -0.34 -0.39 -0.02 0.00 -2.27 0.00 0.00 64.05 61.03 2gc4 n THR 34 Cb 1.04 0.91 -0.01 0.00 -2.10 0.00 0.00 70.33 70.17 2gc4 n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gc4 n GLY 35 N 1.27 0.54 3.56 3.38 0.00 0.36 -4.84 105.19 109.47 2gc4 n GLY 35 Ca 0.00 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 2gc4 n GLY 35 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2gc4 s GLU 36 N -1.29 3.53 -0.50 1.61 2.12 -1.25 -4.26 118.70 118.65 2gc4 s GLU 36 Ca 0.00 -0.47 -0.15 0.00 0.36 0.00 0.00 54.97 54.71 2gc4 s GLU 36 Cb 0.00 -2.92 0.10 0.00 0.26 0.00 0.00 34.13 31.58 2gc4 s GLU 36 CO 0.00 0.37 0.44 1.21 -0.54 0.00 0.00 175.26 176.74 2gc4 s ASN 37 N 0.04 6.13 0.23 -1.70 2.47 -1.26 -3.66 114.94 117.19 2gc4 s ASN 37 Ca 0.01 -1.59 0.19 0.00 0.42 0.00 0.00 52.86 51.89 2gc4 s ASN 37 Cb -0.13 -2.18 0.90 0.00 -1.45 0.00 0.00 41.25 38.39 2gc4 s ASN 37 CO 0.02 -0.75 1.57 1.33 -3.72 0.00 0.00 177.10 175.56 2gc4 n VAL 38 N 5.20 1.09 0.81 -5.21 0.24 -1.26 -2.34 118.33 116.86 2gc4 n VAL 38 Ca -0.13 0.48 0.12 0.00 -2.04 0.00 0.00 64.34 62.78 2gc4 n VAL 38 Cb 0.42 -1.43 0.52 0.00 -1.47 0.00 0.00 33.84 31.87 2gc4 n VAL 38 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2gc4 n TYR 39 N -2.08 0.19 -1.69 6.34 4.01 -1.26 -4.72 117.16 117.95 2gc4 n TYR 39 Ca 0.00 0.06 -0.45 0.00 -0.16 0.00 0.00 57.90 57.36 2gc4 n TYR 39 Cb 0.11 -0.60 -0.04 0.00 -0.31 0.00 0.00 39.34 38.51 2gc4 n TYR 39 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2gc4 n ASN 40 N -1.66 3.55 -2.32 7.72 3.02 -0.99 -1.75 115.26 122.84 2gc4 n ASN 40 Ca 0.06 1.04 -0.14 0.00 -0.03 0.00 0.00 54.58 55.52 2gc4 n ASN 40 Cb 0.32 -1.48 -0.01 0.00 -0.61 0.00 0.00 39.78 37.99 2gc4 n ASN 40 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2gc4 n GLU 41 N 4.44 -2.06 -2.96 3.52 -0.58 -1.26 -4.92 120.64 116.82 2gc4 n GLU 41 Ca 0.18 0.67 -0.43 0.00 -0.42 0.00 0.00 57.16 57.16 2gc4 n GLU 41 Cb 0.32 -5.24 -0.05 0.00 -0.57 0.00 0.00 31.44 25.90 2gc4 n GLU 41 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2gc4 s ASP 42 N -2.04 6.23 0.64 1.62 3.68 -0.72 -4.92 116.67 121.15 2gc4 s ASP 42 Ca 0.00 -0.88 0.31 0.00 2.13 0.00 0.00 52.55 54.10 2gc4 s ASP 42 Cb 0.00 -2.37 1.66 0.00 -1.45 0.00 0.00 42.92 40.76 2gc4 s ASP 42 CO 0.00 -1.21 1.93 1.55 0.13 0.00 0.00 175.17 177.57 2gc4 h PRO 43 N 9.31 0.00 0.00 4.34 0.13 -1.91 -1.66 132.00 142.21 2gc4 h PRO 43 Ca -0.28 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.82 2gc4 h PRO 43 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 2gc4 h PRO 43 CO 1.10 0.00 -0.16 0.93 -0.23 0.00 0.00 178.00 179.64 2gc4 h GLU 44 N 0.00 0.00 0.00 0.86 5.08 -1.96 -3.34 114.58 115.22 2gc4 h GLU 44 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2gc4 h GLU 44 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2gc4 h GLU 44 CO 0.00 0.16 -0.84 0.44 -1.00 0.00 0.00 179.01 177.77 2gc4 n ILE 45 N -3.17 0.00 -0.30 3.13 -6.64 -0.65 -4.72 119.36 107.01 2gc4 n ILE 45 Ca 0.02 -0.25 0.09 0.00 -1.77 0.00 0.00 62.75 60.85 2gc4 n ILE 45 Cb 0.53 0.67 0.32 0.00 -1.44 0.00 0.00 39.64 39.71 2gc4 n ILE 45 CO 0.00 0.00 0.00 -0.07 -1.77 0.00 0.00 176.55 174.71 2gc4 h LEU 46 N 0.00 0.77 -0.78 7.28 3.38 -1.62 -0.01 115.31 124.34 2gc4 h LEU 46 Ca 0.00 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2gc4 h LEU 46 Cb 0.26 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 2gc4 h LEU 46 CO 0.00 0.41 0.48 -0.65 0.09 0.00 0.00 178.44 178.77 2gc4 h PRO 47 N 0.83 1.05 -0.25 1.13 0.11 -1.84 -0.71 132.00 132.31 2gc4 h PRO 47 Ca 0.45 -0.09 -0.18 0.00 0.11 0.00 0.00 66.00 66.30 2gc4 h PRO 47 Cb 0.57 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.46 2gc4 h PRO 47 CO -0.22 0.73 -0.55 1.49 -0.21 0.00 0.00 178.00 179.24 2gc4 h GLU 48 N 1.06 0.81 -0.62 1.05 4.81 -1.70 -3.07 114.58 116.92 2gc4 h GLU 48 Ca 0.28 -0.54 0.04 0.00 -0.13 0.00 0.00 59.36 59.01 2gc4 h GLU 48 Cb -0.06 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.35 2gc4 h GLU 48 CO -0.05 1.17 0.36 0.00 -0.73 0.00 0.00 179.01 179.75 2gc4 h ALA 49 N 0.64 0.82 -0.80 2.92 0.00 -0.71 -0.53 119.26 121.60 2gc4 h ALA 49 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.96 2gc4 h ALA 49 Cb 1.16 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 2gc4 h ALA 49 CO 0.12 0.07 0.49 1.49 0.00 0.00 0.00 179.25 181.42 2gc4 h GLU 50 N 0.69 0.89 -0.25 0.00 4.81 -1.13 -0.98 114.58 118.61 2gc4 h GLU 50 Ca 0.26 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.31 2gc4 h GLU 50 Cb 0.10 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 2gc4 h GLU 50 CO -0.14 0.59 -0.40 1.49 -0.73 0.00 0.00 179.01 179.82 2gc4 h GLU 51 N 0.92 0.59 -0.62 1.92 4.57 -1.24 -0.86 114.58 119.86 2gc4 h GLU 51 Ca 0.34 -0.30 -0.04 0.00 -1.18 0.00 0.00 59.36 58.18 2gc4 h GLU 51 Cb 0.13 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.70 2gc4 h GLU 51 CO -0.16 0.89 0.23 -0.07 -1.18 0.00 0.00 179.01 178.72 2gc4 h LEU 52 N 0.49 0.87 -0.19 1.64 3.38 -0.50 -1.57 115.31 119.43 2gc4 h LEU 52 Ca 0.04 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 2gc4 h LEU 52 Cb 0.91 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2gc4 h LEU 52 CO 0.08 0.82 0.00 0.22 0.09 0.00 0.00 178.44 179.66 2gc4 h TYR 53 N 0.87 0.37 -0.41 1.13 3.20 -1.03 -2.09 116.97 119.01 2gc4 h TYR 53 Ca 0.20 -0.06 0.06 0.00 3.14 0.00 0.00 58.73 62.07 2gc4 h TYR 53 Cb 0.24 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.36 2gc4 h TYR 53 CO 0.01 0.53 0.09 0.00 -1.64 0.00 0.00 178.16 177.16 2gc4 h ALA 54 N 0.79 0.46 -0.02 1.82 0.00 -0.95 0.51 119.26 121.87 2gc4 h ALA 54 Ca 0.05 0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 2gc4 h ALA 54 Cb 0.38 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2gc4 h ALA 54 CO 0.01 -0.30 -0.67 0.78 0.00 0.00 0.00 179.25 179.06 2gc4 h GLY 55 N 0.23 0.09 0.00 0.00 0.00 -1.28 -3.31 103.07 98.80 2gc4 h GLY 55 Ca 0.20 -0.12 -0.25 0.00 0.00 0.00 0.00 47.33 47.15 2gc4 h GLY 55 CO -0.25 0.11 -2.04 -0.13 0.00 0.00 0.00 176.54 174.23 2gc4 n MET 56 N -3.77 1.30 -0.01 4.80 0.00 -0.79 -4.83 117.12 113.82 2gc4 n MET 56 Ca -0.02 -0.03 0.00 0.00 -0.00 0.00 0.00 57.70 57.66 2gc4 n MET 56 Cb 0.66 -1.41 -0.02 0.00 0.00 0.00 0.00 33.22 32.45 2gc4 n MET 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2gc4 h SER 58 N 0.00 1.06 -0.95 0.00 4.64 -1.54 -0.85 113.55 115.90 2gc4 h SER 58 Ca -0.03 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.44 2gc4 h SER 58 Cb 0.54 -0.23 -0.08 0.00 -0.31 0.00 0.00 62.40 62.32 2gc4 h SER 58 CO 0.00 0.69 0.60 1.23 -0.87 0.00 0.00 176.83 178.48 2gc4 h GLY 59 N 1.21 1.43 0.04 -0.77 0.00 -1.85 0.78 103.07 103.91 2gc4 h GLY 59 Ca 0.42 -0.35 -0.38 0.00 0.00 0.00 0.00 47.33 47.03 2gc4 h GLY 59 CO -0.16 0.08 -2.41 0.00 0.00 0.00 0.00 176.54 174.06 2gc4 n HIS 61 N -3.04 0.00 0.00 0.00 -0.00 -0.35 -0.11 115.22 111.71 2gc4 n HIS 61 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.33 2gc4 n HIS 61 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 31.06 2gc4 n HIS 61 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2gc4 n GLY 62 N 1.36 1.33 0.37 -1.41 0.00 0.26 -0.54 105.19 106.56 2gc4 n GLY 62 Ca 0.12 -1.77 0.03 0.00 0.00 0.00 0.00 46.02 44.41 2gc4 n GLY 62 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2gc4 h HIS 63 N 0.00 1.06 -0.15 1.61 -0.00 -1.93 -2.73 115.15 113.01 2gc4 h HIS 63 Ca 0.00 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.35 2gc4 h HIS 63 Cb 0.00 -0.35 -0.03 0.00 -0.00 0.00 0.00 27.41 27.03 2gc4 h HIS 63 CO 0.00 0.57 -0.14 0.66 -0.00 0.00 0.00 177.93 179.02 2gc4 n TYR 64 N -4.48 0.48 -2.31 5.26 4.01 -1.26 -4.95 117.16 113.92 2gc4 n TYR 64 Ca 0.13 -1.26 -0.21 0.00 -0.16 0.00 0.00 57.90 56.40 2gc4 n TYR 64 Cb 0.17 -0.30 -0.02 0.00 -0.31 0.00 0.00 39.34 38.88 2gc4 n TYR 64 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2gc4 n ALA 65 N -1.09 -0.59 1.12 -0.72 0.00 -1.03 -4.79 120.51 113.41 2gc4 n ALA 65 Ca 0.22 0.19 0.14 0.00 0.00 0.00 0.00 53.44 53.99 2gc4 n ALA 65 Cb 0.81 -2.16 0.61 0.00 0.00 0.00 0.00 19.45 18.72 2gc4 n ALA 65 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2gc4 n GLU 66 N -2.93 0.14 0.00 0.00 0.00 -1.15 -1.09 120.64 115.61 2gc4 n GLU 66 Ca -0.24 -0.02 0.00 0.00 0.00 0.00 0.00 57.16 56.90 2gc4 n GLU 66 Cb 0.68 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.63 2gc4 n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2gc4 n GLY 67 N 1.44 2.26 0.00 -1.84 0.00 0.30 -4.27 105.19 103.08 2gc4 n GLY 67 Ca 0.09 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.33 2gc4 n GLY 67 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2gc4 n LYS 68 N 1.85 0.00 0.09 1.61 4.81 -1.23 -4.48 118.16 120.82 2gc4 n LYS 68 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.37 2gc4 n LYS 68 Cb 0.00 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.08 2gc4 n LYS 68 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 2gc4 h ILE 69 N 0.00 1.48 -1.91 3.15 2.04 -1.55 -3.44 117.51 117.28 2gc4 h ILE 69 Ca 0.00 -2.49 -0.52 0.00 1.00 0.00 0.00 64.86 62.84 2gc4 h ILE 69 Cb 0.00 2.36 -0.06 0.00 -0.74 0.00 0.00 36.82 38.38 2gc4 h ILE 69 CO 0.00 0.73 -0.51 -0.83 0.00 0.00 0.00 178.15 177.54 2gc4 s GLY 70 N -4.48 1.82 0.78 5.37 0.00 0.84 -5.03 107.32 106.62 2gc4 s GLY 70 Ca -0.03 -1.71 -0.12 0.00 0.00 0.00 0.00 44.72 42.86 2gc4 s GLY 70 CO 0.81 -1.66 1.13 2.56 0.00 0.00 0.00 173.10 175.94 2gc4 s PRO 71 N -3.89 1.99 0.66 2.90 0.04 -1.26 -4.56 135.00 130.88 2gc4 s PRO 71 Ca 0.38 1.42 -0.16 0.00 0.04 0.00 0.00 61.00 62.68 2gc4 s PRO 71 Cb -0.04 -1.85 -0.00 0.00 0.04 0.00 0.00 34.50 32.65 2gc4 s PRO 71 CO 0.24 -1.88 1.13 0.20 0.04 0.00 0.00 177.00 176.74 2gc4 s GLY 72 N -2.81 2.26 -0.01 0.56 0.00 -1.26 -4.44 107.32 101.61 2gc4 s GLY 72 Ca 0.66 0.66 0.02 0.00 0.00 0.00 0.00 44.72 46.06 2gc4 s GLY 72 CO 0.52 1.02 0.84 1.04 0.00 0.00 0.00 173.10 176.52 2gc4 n LEU 73 N -2.32 1.17 -1.43 0.66 4.77 -0.25 -4.83 117.00 114.77 2gc4 n LEU 73 Ca 0.11 -1.33 0.09 0.00 -0.03 0.00 0.00 56.01 54.85 2gc4 n LEU 73 Cb 0.51 -0.05 0.33 0.00 -2.33 0.00 0.00 43.42 41.89 2gc4 n LEU 73 CO 0.47 0.33 0.79 -0.46 -1.33 0.00 0.00 177.39 177.19 2gc4 n ASN 74 N -0.38 4.56 -3.60 -1.43 0.23 -1.12 -4.78 115.26 108.74 2gc4 n ASN 74 Ca 0.02 -2.52 -0.23 0.00 -0.53 0.00 0.00 54.58 51.32 2gc4 n ASN 74 Cb 0.42 -0.55 -0.07 0.00 -2.08 0.00 0.00 39.78 37.50 2gc4 n ASN 74 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 2gc4 n ASP 75 N 0.80 0.54 0.05 0.53 3.85 -1.26 -0.30 116.55 120.76 2gc4 n ASP 75 Ca 0.24 -3.14 0.08 0.00 -0.71 0.00 0.00 54.79 51.26 2gc4 n ASP 75 Cb 0.87 1.24 0.34 0.00 -1.35 0.00 0.00 41.12 42.22 2gc4 n ASP 75 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2gc4 n ALA 76 N -0.98 1.55 -2.72 2.12 0.00 -1.26 -4.77 120.51 114.45 2gc4 n ALA 76 Ca -0.14 0.01 -0.37 0.00 0.00 0.00 0.00 53.44 52.94 2gc4 n ALA 76 Cb 0.60 -1.26 -0.06 0.00 0.00 0.00 0.00 19.45 18.73 2gc4 n ALA 76 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2gc4 s TYR 77 N -3.12 3.59 -0.01 0.00 5.04 -1.26 -5.05 117.35 116.52 2gc4 s TYR 77 Ca 0.05 0.66 0.04 0.00 -2.44 0.00 0.00 57.07 55.37 2gc4 s TYR 77 Cb 0.08 -2.16 -0.01 0.00 0.35 0.00 0.00 41.96 40.23 2gc4 s TYR 77 CO 0.27 0.55 -0.12 -1.58 -1.34 0.00 0.00 175.55 173.33 2gc4 s TRP 78 N -0.55 1.09 0.24 4.97 0.52 -1.26 -4.95 118.94 119.00 2gc4 s TRP 78 Ca 0.17 -0.22 -0.02 0.00 0.02 0.00 0.00 56.10 56.05 2gc4 s TRP 78 Cb -0.13 -0.72 0.28 0.00 -1.15 0.00 0.00 33.47 31.75 2gc4 s TRP 78 CO 0.06 -0.04 1.69 1.15 0.02 0.00 0.00 176.95 179.83 2gc4 h THR 79 N 4.97 1.26 -3.49 2.01 2.02 -1.98 -3.33 112.91 114.37 2gc4 h THR 79 Ca -0.33 -1.23 -0.70 0.00 0.77 0.00 0.00 66.41 64.92 2gc4 h THR 79 Cb 1.17 1.16 -0.34 0.00 -1.74 0.00 0.00 68.15 68.40 2gc4 h THR 79 CO 0.49 0.41 -0.46 -0.31 0.37 0.00 0.00 175.52 176.02 2gc4 s TYR 80 N -4.67 3.52 0.33 3.16 2.02 -1.26 -5.00 117.35 115.45 2gc4 s TYR 80 Ca -0.09 -2.45 0.18 0.00 -0.37 0.00 0.00 57.07 54.34 2gc4 s TYR 80 Cb 0.14 -3.25 1.19 0.00 -0.40 0.00 0.00 41.96 39.64 2gc4 s TYR 80 CO 0.82 -0.93 1.42 -0.35 -1.57 0.00 0.00 175.55 174.94 2gc4 n PRO 81 N 4.26 -0.05 0.18 -1.71 -0.04 -1.25 -0.75 135.00 135.63 2gc4 n PRO 81 Ca 0.01 1.25 0.12 0.00 -0.04 0.00 0.00 63.50 64.84 2gc4 n PRO 81 Cb 0.40 -2.23 0.64 0.00 -0.04 0.00 0.00 33.50 32.27 2gc4 n PRO 81 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2gc4 h GLY 82 N 0.00 0.00 1.04 0.55 0.00 -1.94 -2.59 103.07 100.14 2gc4 h GLY 82 Ca 0.76 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.09 2gc4 h GLY 82 CO -0.70 0.00 0.00 0.70 0.00 0.00 0.00 176.54 176.54 2gc4 n ASN 83 N -2.35 0.00 0.11 0.19 3.02 0.07 -1.70 115.26 114.60 2gc4 n ASN 83 Ca -0.01 -0.45 0.13 0.00 -0.03 0.00 0.00 54.58 54.22 2gc4 n ASN 83 Cb 0.07 -0.02 0.42 0.00 -0.61 0.00 0.00 39.78 39.64 2gc4 n ASN 83 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2gc4 n GLU 84 N -1.02 0.25 -4.27 3.52 0.28 -0.98 -4.46 120.64 113.96 2gc4 n GLU 84 Ca 0.11 0.24 -0.26 0.00 -0.16 0.00 0.00 57.16 57.09 2gc4 n GLU 84 Cb 0.06 -1.81 -0.08 0.00 1.43 0.00 0.00 31.44 31.04 2gc4 n GLU 84 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 2gc4 s THR 85 N -3.13 3.38 0.07 3.84 -4.23 -0.69 -4.35 115.64 110.54 2gc4 s THR 85 Ca 0.10 -1.66 0.29 0.00 -1.18 0.00 0.00 61.69 59.24 2gc4 s THR 85 Cb 0.12 -2.71 0.33 0.00 1.34 0.00 0.00 72.50 71.57 2gc4 s THR 85 CO 0.57 -0.17 1.89 0.44 -0.54 0.00 0.00 174.62 176.81 2gc4 h ASP 86 N 2.62 0.00 -0.35 3.99 3.32 -1.84 -1.61 116.42 122.55 2gc4 h ASP 86 Ca -0.46 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.44 2gc4 h ASP 86 Cb 1.21 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 2gc4 h ASP 86 CO 0.57 0.09 -0.34 0.58 -1.72 0.00 0.00 179.24 178.41 2gc4 h VAL 87 N 0.00 1.28 -0.22 -1.35 2.07 -1.87 -1.00 116.25 115.16 2gc4 h VAL 87 Ca -0.00 -1.51 -0.08 0.00 0.82 0.00 0.00 66.70 65.92 2gc4 h VAL 87 Cb 0.64 1.45 -0.00 0.00 -1.52 0.00 0.00 31.29 31.86 2gc4 h VAL 87 CO 0.01 0.50 -0.18 1.23 0.02 0.00 0.00 177.57 179.15 2gc4 h GLY 88 N 0.64 0.56 1.00 2.17 0.00 -1.55 -1.54 103.07 104.36 2gc4 h GLY 88 Ca 0.06 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2gc4 h GLY 88 CO 0.09 0.50 0.44 -2.00 0.00 0.00 0.00 176.54 175.57 2gc4 h LEU 89 N 0.21 0.81 -0.40 3.11 5.85 -1.28 -1.00 115.31 122.62 2gc4 h LEU 89 Ca 0.04 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2gc4 h LEU 89 Cb 0.72 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 2gc4 h LEU 89 CO 0.05 0.61 0.22 0.15 -0.34 0.00 0.00 178.44 179.13 2gc4 h PHE 90 N 0.94 0.54 -0.82 1.25 3.57 -1.14 -2.27 116.94 119.00 2gc4 h PHE 90 Ca 0.25 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.76 2gc4 h PHE 90 Cb -0.07 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.45 2gc4 h PHE 90 CO -0.02 0.41 0.54 0.77 -2.23 0.00 0.00 178.31 177.78 2gc4 h SER 91 N 0.51 0.92 -0.34 0.41 0.02 -0.72 0.40 113.55 114.76 2gc4 h SER 91 Ca 0.14 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 2gc4 h SER 91 Cb 0.04 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 2gc4 h SER 91 CO -0.02 0.66 0.13 0.74 -1.14 0.00 0.00 176.83 177.20 2gc4 h THR 92 N 1.09 1.19 -0.28 -2.27 2.02 -0.82 -1.26 112.91 112.58 2gc4 h THR 92 Ca 0.31 -0.60 -0.17 0.00 0.77 0.00 0.00 66.41 66.72 2gc4 h THR 92 Cb -0.08 0.94 -0.00 0.00 -1.74 0.00 0.00 68.15 67.27 2gc4 h THR 92 CO -0.08 0.21 -0.51 -0.07 0.37 0.00 0.00 175.52 175.45 2gc4 h LEU 93 N 0.41 0.86 -0.09 2.58 3.38 -0.87 0.31 115.31 121.89 2gc4 h LEU 93 Ca 0.11 -0.44 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 2gc4 h LEU 93 Cb 0.20 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2gc4 h LEU 93 CO -0.01 1.21 -0.12 0.22 0.09 0.00 0.00 178.44 179.84 2gc4 h TYR 94 N 0.61 0.30 0.00 1.13 3.20 -0.89 -1.29 116.97 120.03 2gc4 h TYR 94 Ca 0.02 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.80 2gc4 h TYR 94 Cb 1.09 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.30 2gc4 h TYR 94 CO 0.06 0.69 -1.14 0.41 -1.64 0.00 0.00 178.16 176.55 2gc4 n GLY 95 N 0.28 -1.06 0.02 1.82 0.00 -0.48 -3.57 105.19 102.20 2gc4 n GLY 95 Ca -0.07 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2gc4 n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gc4 n GLY 96 N 1.44 -1.75 0.00 -0.02 0.00 0.11 -4.03 105.19 100.94 2gc4 n GLY 96 Ca 0.02 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.54 2gc4 n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gc4 n ALA 97 N -2.06 0.00 -2.41 4.61 0.00 0.27 -4.60 120.51 116.31 2gc4 n ALA 97 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 2gc4 n ALA 97 Cb 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 2gc4 n ALA 97 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2gc4 s THR 98 N 3.48 2.29 0.00 0.00 -4.23 -1.24 -4.85 115.64 111.09 2gc4 s THR 98 Ca 0.00 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 2gc4 s THR 98 Cb 0.00 -2.05 0.00 0.00 1.34 0.00 0.00 72.50 71.79 2gc4 s THR 98 CO 0.00 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 2gc4 n GLY 99 N 0.57 3.77 0.29 3.99 0.00 -1.26 -3.08 105.19 109.47 2gc4 n GLY 99 Ca -0.15 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2gc4 n GLY 99 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2gc4 h GLN 100 N 0.00 0.78 -5.83 1.61 1.08 -2.02 -3.38 115.11 107.35 2gc4 h GLN 100 Ca 0.00 -0.05 -0.37 0.00 -1.45 0.00 0.00 58.65 56.78 2gc4 h GLN 100 Cb 0.00 -0.18 -0.06 0.00 -0.05 0.00 0.00 27.48 27.19 2gc4 h GLN 100 CO 0.00 0.51 0.94 1.41 -0.95 0.00 0.00 178.83 180.74 2gc4 s MET 101 N -6.07 2.80 0.54 1.46 1.75 -1.18 -4.97 119.30 113.64 2gc4 s MET 101 Ca -0.13 -0.43 0.09 0.00 -1.25 0.00 0.00 55.69 53.97 2gc4 s MET 101 Cb 0.18 -5.08 0.07 0.00 2.84 0.00 0.00 34.83 32.83 2gc4 s MET 101 CO 0.77 -3.07 0.73 0.20 -0.65 0.00 0.00 175.02 173.01 2gc4 s GLY 102 N 7.29 1.80 0.97 2.11 0.00 -1.26 -0.57 107.32 117.66 2gc4 s GLY 102 Ca 0.64 -2.02 -0.11 0.00 0.00 0.00 0.00 44.72 43.23 2gc4 s GLY 102 CO -0.02 -1.67 1.11 2.56 0.00 0.00 0.00 173.10 175.09 2gc4 s PRO 103 N -4.59 0.59 0.00 2.90 0.04 -1.26 -4.25 135.00 128.44 2gc4 s PRO 103 Ca 0.59 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.97 2gc4 s PRO 103 Cb -0.06 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.78 2gc4 s PRO 103 CO 0.37 -2.85 0.41 -1.33 0.04 0.00 0.00 177.00 173.63 2gc4 n MET 104 N -4.37 -0.77 0.27 4.56 2.81 -0.49 -4.78 117.12 114.35 2gc4 n MET 104 Ca 0.09 -0.41 0.18 0.00 -1.81 0.00 0.00 57.70 55.75 2gc4 n MET 104 Cb 0.53 -0.90 0.93 0.00 -0.71 0.00 0.00 33.22 33.06 2gc4 n MET 104 CO 0.00 0.00 0.00 0.11 1.51 0.00 0.00 175.97 177.59 2gc4 h TRP 105 N 0.00 0.00 0.00 2.03 5.08 -1.78 -0.27 115.95 121.01 2gc4 h TRP 105 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2gc4 h TRP 105 Cb 0.10 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.26 2gc4 h TRP 105 CO 0.00 0.00 -0.42 0.41 -1.28 0.00 0.00 178.44 177.15 2gc4 n GLY 106 N -0.91 -1.37 0.00 11.11 0.00 -1.26 -3.52 105.19 109.24 2gc4 n GLY 106 Ca -0.02 -0.26 -0.00 0.00 0.00 0.00 0.00 46.02 45.74 2gc4 n GLY 106 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2gc4 n SER 107 N -1.72 4.75 -4.57 1.61 7.64 -0.67 -4.98 113.62 115.69 2gc4 n SER 107 Ca 0.05 -0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.60 2gc4 n SER 107 Cb 0.37 0.39 -0.11 0.00 -1.01 0.00 0.00 64.21 63.85 2gc4 n SER 107 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2gc4 s LEU 108 N -4.23 3.09 0.70 -3.43 1.43 -0.20 -5.11 118.68 110.92 2gc4 s LEU 108 Ca -0.00 -0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 52.86 2gc4 s LEU 108 Cb 0.00 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.50 2gc4 s LEU 108 CO 0.00 0.32 1.09 0.42 0.23 0.00 0.00 176.35 178.41 2gc4 s THR 109 N -0.90 3.68 0.24 5.49 -4.23 -1.26 -4.55 115.64 114.11 2gc4 s THR 109 Ca 0.15 0.55 -0.05 0.00 -1.18 0.00 0.00 61.69 61.15 2gc4 s THR 109 Cb -0.11 -3.52 0.20 0.00 1.34 0.00 0.00 72.50 70.41 2gc4 s THR 109 CO 0.04 -0.71 1.80 -0.07 -0.54 0.00 0.00 174.62 175.14 2gc4 h LEU 110 N -0.62 0.62 -0.57 4.79 4.07 -1.80 -0.54 115.31 121.26 2gc4 h LEU 110 Ca -0.45 0.05 -0.05 0.00 0.08 0.00 0.00 57.88 57.51 2gc4 h LEU 110 Cb 1.24 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.90 2gc4 h LEU 110 CO 0.63 0.35 0.16 -0.78 -1.08 0.00 0.00 178.44 177.73 2gc4 h ASP 111 N 0.74 0.84 0.11 -0.43 3.58 -1.67 -2.35 116.42 117.24 2gc4 h ASP 111 Ca 0.39 -0.22 -0.05 0.00 0.42 0.00 0.00 57.03 57.57 2gc4 h ASP 111 Cb 0.37 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 2gc4 h ASP 111 CO -0.25 0.83 -0.18 -0.33 -2.88 0.00 0.00 179.24 176.43 2gc4 h GLU 112 N 0.80 0.15 -0.62 0.28 5.08 -1.64 -1.79 114.58 116.84 2gc4 h GLU 112 Ca 0.18 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 2gc4 h GLU 112 Cb 0.30 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2gc4 h GLU 112 CO -0.00 0.33 0.09 0.52 -1.00 0.00 0.00 179.01 178.95 2gc4 h MET 113 N 0.14 1.02 -0.52 2.33 2.86 -0.62 -0.47 114.93 119.67 2gc4 h MET 113 Ca 0.03 -0.28 -0.10 0.00 -2.06 0.00 0.00 59.70 57.29 2gc4 h MET 113 Cb 0.41 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 2gc4 h MET 113 CO 0.03 0.96 -0.07 -0.07 1.06 0.00 0.00 176.91 178.82 2gc4 h LEU 114 N 0.93 0.93 -0.54 1.22 3.38 -1.00 -1.00 115.31 119.23 2gc4 h LEU 114 Ca 0.19 -0.28 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 2gc4 h LEU 114 Cb 0.44 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2gc4 h LEU 114 CO 0.01 1.03 -0.15 0.03 0.09 0.00 0.00 178.44 179.45 2gc4 h ARG 115 N 0.85 1.02 -0.49 1.13 3.08 -1.11 -1.79 114.38 117.06 2gc4 h ARG 115 Ca 0.14 -0.40 -0.01 0.00 0.07 0.00 0.00 59.98 59.78 2gc4 h ARG 115 Cb 0.60 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 2gc4 h ARG 115 CO 0.04 1.08 0.26 1.15 -1.07 0.00 0.00 179.97 181.43 2gc4 h THR 116 N 0.89 1.18 -0.96 2.04 2.02 -0.84 -2.40 112.91 114.83 2gc4 h THR 116 Ca 0.13 -0.48 0.03 0.00 0.77 0.00 0.00 66.41 66.86 2gc4 h THR 116 Cb 0.73 0.59 -0.05 0.00 -1.74 0.00 0.00 68.15 67.67 2gc4 h THR 116 CO 0.06 0.19 0.63 0.24 0.37 0.00 0.00 175.52 177.01 2gc4 h MET 117 N 0.66 1.21 -1.01 6.66 2.86 -0.98 -1.73 114.93 122.59 2gc4 h MET 117 Ca 0.17 -0.07 0.04 0.00 -2.06 0.00 0.00 59.70 57.78 2gc4 h MET 117 Cb 0.08 -0.27 -0.06 0.00 0.06 0.00 0.00 31.60 31.40 2gc4 h MET 117 CO -0.03 0.80 0.66 0.00 1.06 0.00 0.00 176.91 179.40 2gc4 h ALA 118 N 1.43 1.34 -0.52 6.32 0.00 -0.83 -0.62 119.26 126.38 2gc4 h ALA 118 Ca 0.37 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 2gc4 h ALA 118 Cb -0.04 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 2gc4 h ALA 118 CO -0.10 0.55 0.04 2.35 0.00 0.00 0.00 179.25 182.09 2gc4 h TRP 119 N 1.27 0.95 -0.35 0.00 2.91 -1.03 -0.19 115.95 119.51 2gc4 h TRP 119 Ca 0.40 -0.15 0.03 0.00 1.13 0.00 0.00 58.89 60.31 2gc4 h TRP 119 Cb 0.01 -0.25 -0.03 0.00 -0.51 0.00 0.00 29.16 28.37 2gc4 h TRP 119 CO -0.00 0.87 0.14 0.28 -1.03 0.00 0.00 178.44 178.71 2gc4 h VAL 120 N 0.76 0.94 -0.50 2.65 2.07 -0.83 -0.90 116.25 120.44 2gc4 h VAL 120 Ca 0.15 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 2gc4 h VAL 120 Cb 0.47 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2gc4 h VAL 120 CO 0.02 0.06 0.24 0.03 0.02 0.00 0.00 177.57 177.93 2gc4 h ARG 121 N 0.31 0.69 -0.02 1.57 2.47 -0.85 -2.16 114.38 116.39 2gc4 h ARG 121 Ca 0.15 -0.08 -0.06 0.00 -1.26 0.00 0.00 59.98 58.73 2gc4 h ARG 121 Cb 0.10 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.28 2gc4 h ARG 121 CO -0.14 0.54 -0.28 1.25 0.56 0.00 0.00 179.97 181.90 2gc4 h HIS 122 N 0.69 0.03 0.00 3.04 2.76 0.24 -2.66 115.15 119.25 2gc4 h HIS 122 Ca 0.17 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.34 2gc4 h HIS 122 Cb 0.07 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.02 2gc4 h HIS 122 CO 0.01 0.31 0.00 1.28 -1.30 0.00 0.00 177.93 178.22 2gc4 n LEU 123 N -4.19 0.00 -4.63 0.26 4.77 -0.49 -4.36 117.00 108.36 2gc4 n LEU 123 Ca -0.02 0.30 -0.47 0.00 -0.03 0.00 0.00 56.01 55.79 2gc4 n LEU 123 Cb 0.34 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 2gc4 n LEU 123 CO 0.38 -0.03 0.89 0.00 -1.33 0.00 0.00 177.39 177.30 2gc4 n TYR 124 N -1.30 1.77 0.50 -1.77 9.36 -1.01 -4.51 117.16 120.19 2gc4 n TYR 124 Ca 0.12 0.54 0.06 0.00 3.32 0.00 0.00 57.90 61.94 2gc4 n TYR 124 Cb 0.22 -2.38 0.01 0.00 -0.63 0.00 0.00 39.34 36.56 2gc4 n TYR 124 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 2gc4 n THR 125 N 1.83 0.00 -0.55 2.97 -2.24 0.59 -1.28 114.28 115.61 2gc4 n THR 125 Ca 0.14 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2gc4 n THR 125 Cb 0.28 1.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 2gc4 n THR 125 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gc4 n GLY 126 N 0.90 -1.87 3.78 3.38 0.00 -1.26 -4.78 105.19 105.34 2gc4 n GLY 126 Ca 0.05 -1.52 -0.39 0.00 0.00 0.00 0.00 46.02 44.15 2gc4 n GLY 126 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gc4 s ASP 127 N -1.31 7.26 0.37 1.61 -1.08 -1.26 -4.60 116.67 117.65 2gc4 s ASP 127 Ca 0.00 1.49 0.16 0.00 -0.52 0.00 0.00 52.55 53.68 2gc4 s ASP 127 Cb 0.00 -2.45 1.04 0.00 -1.46 0.00 0.00 42.92 40.05 2gc4 s ASP 127 CO 0.00 0.18 1.74 -0.65 0.52 0.00 0.00 175.17 176.96 2gc4 h PRO 128 N 4.72 0.43 0.00 4.34 0.11 -1.93 0.14 132.00 139.80 2gc4 h PRO 128 Ca -0.47 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 2gc4 h PRO 128 Cb 1.21 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 2gc4 h PRO 128 CO 0.67 0.28 -0.10 1.57 -0.21 0.00 0.00 178.00 180.21 2gc4 h LYS 129 N 0.44 0.00 0.00 1.05 2.10 -1.95 -1.79 116.57 116.42 2gc4 h LYS 129 Ca 0.64 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.29 2gc4 h LYS 129 Cb 1.49 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.82 2gc4 h LYS 129 CO -0.40 0.10 -0.33 -0.25 -2.00 0.00 0.00 179.45 176.58 2gc4 n ASP 130 N -3.97 0.66 -4.14 7.07 8.00 0.50 -4.57 116.55 120.09 2gc4 n ASP 130 Ca -0.02 0.29 -0.40 0.00 0.71 0.00 0.00 54.79 55.37 2gc4 n ASP 130 Cb 0.19 -0.24 -0.02 0.00 -0.02 0.00 0.00 41.12 41.02 2gc4 n ASP 130 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gc4 n ALA 131 N -1.75 3.78 0.29 2.24 0.00 -0.67 -4.76 120.51 119.63 2gc4 n ALA 131 Ca 0.05 -3.60 0.18 0.00 0.00 0.00 0.00 53.44 50.07 2gc4 n ALA 131 Cb 0.42 -3.57 0.90 0.00 0.00 0.00 0.00 19.45 17.20 2gc4 n ALA 131 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2gc4 h SER 132 N 7.56 0.00 0.44 0.00 4.64 -1.84 -1.97 113.55 122.38 2gc4 h SER 132 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 2gc4 h SER 132 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 2gc4 h SER 132 CO 1.64 0.00 -0.03 -2.67 -0.87 0.00 0.00 176.83 174.91 2gc4 n TRP 133 N -2.78 0.00 -4.11 4.77 2.14 -1.26 -4.83 117.44 111.37 2gc4 n TRP 133 Ca -0.02 0.00 -0.33 0.00 2.07 0.00 0.00 57.50 59.22 2gc4 n TRP 133 Cb 0.11 -0.22 -0.07 0.00 -0.81 0.00 0.00 31.31 30.32 2gc4 n TRP 133 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 2gc4 s LEU 134 N -2.47 3.90 0.92 5.67 1.02 -0.74 -4.95 118.68 122.02 2gc4 s LEU 134 Ca 0.31 0.16 -0.14 0.00 0.02 0.00 0.00 54.13 54.48 2gc4 s LEU 134 Cb 0.20 -2.25 0.15 0.00 0.02 0.00 0.00 46.19 44.32 2gc4 s LEU 134 CO 0.45 0.28 1.22 0.42 0.02 0.00 0.00 176.35 178.75 2gc4 s THR 135 N -1.18 1.97 0.17 5.49 -4.23 -1.26 -4.77 115.64 111.83 2gc4 s THR 135 Ca 0.22 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.60 2gc4 s THR 135 Cb -0.12 -2.91 0.06 0.00 1.34 0.00 0.00 72.50 70.86 2gc4 s THR 135 CO 0.13 0.00 1.77 0.44 -0.54 0.00 0.00 174.62 176.42 2gc4 h ASP 136 N -1.48 0.67 -0.01 3.99 3.32 -1.99 0.95 116.42 121.88 2gc4 h ASP 136 Ca -0.46 -0.10 -0.11 0.00 0.02 0.00 0.00 57.03 56.38 2gc4 h ASP 136 Cb 1.29 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 2gc4 h ASP 136 CO 0.52 0.58 -0.32 -0.33 -1.72 0.00 0.00 179.24 177.97 2gc4 h GLU 137 N 0.72 0.47 -0.30 3.56 3.07 -1.99 -1.57 114.58 118.54 2gc4 h GLU 137 Ca 0.19 -0.20 -0.09 0.00 -0.50 0.00 0.00 59.36 58.75 2gc4 h GLU 137 Cb 0.06 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 2gc4 h GLU 137 CO -0.03 0.74 -0.17 1.96 -1.40 0.00 0.00 179.01 180.12 2gc4 h GLN 138 N 0.41 0.64 -0.94 2.33 4.20 -1.84 -2.86 115.11 117.04 2gc4 h GLN 138 Ca 0.05 -0.29 0.05 0.00 0.06 0.00 0.00 58.65 58.52 2gc4 h GLN 138 Cb 0.77 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.47 2gc4 h GLN 138 CO 0.06 0.88 0.61 0.87 -0.67 0.00 0.00 178.83 180.58 2gc4 h LYS 139 N 0.39 1.12 -0.91 1.46 1.57 -0.61 -2.07 116.57 117.52 2gc4 h LYS 139 Ca 0.06 -0.07 0.12 0.00 -1.87 0.00 0.00 60.65 58.89 2gc4 h LYS 139 Cb 0.70 -0.25 -0.07 0.00 0.08 0.00 0.00 32.23 32.69 2gc4 h LYS 139 CO 0.05 0.74 0.59 0.00 -0.57 0.00 0.00 179.45 180.25 2gc4 h ALA 140 N 1.40 1.68 -0.11 3.86 0.00 -1.07 -1.55 119.26 123.48 2gc4 h ALA 140 Ca 0.39 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2gc4 h ALA 140 Cb 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2gc4 h ALA 140 CO -0.14 0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.62 2gc4 n GLY 141 N -1.40 0.97 3.73 0.00 0.00 -0.94 -4.95 105.19 102.59 2gc4 n GLY 141 Ca 0.17 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 2gc4 n GLY 141 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2gc4 s PHE 142 N -1.88 3.75 -0.08 1.61 5.36 -0.59 -5.06 117.98 121.10 2gc4 s PHE 142 Ca 0.32 1.66 0.02 0.00 -0.96 0.00 0.00 56.93 57.96 2gc4 s PHE 142 Cb 0.21 -2.98 0.01 0.00 -0.34 0.00 0.00 43.02 39.92 2gc4 s PHE 142 CO 0.31 0.18 -0.13 0.95 -1.46 0.00 0.00 175.22 175.07 2gc4 s THR 143 N 0.20 1.21 0.02 0.12 -4.23 -1.26 -4.91 115.64 106.79 2gc4 s THR 143 Ca 0.45 -0.50 -0.38 0.00 -1.18 0.00 0.00 61.69 60.07 2gc4 s THR 143 Cb -0.22 -1.12 -0.18 0.00 1.34 0.00 0.00 72.50 72.33 2gc4 s THR 143 CO 0.27 0.38 1.27 -2.65 -0.54 0.00 0.00 174.62 173.35 2gc4 n PRO 144 N 4.01 0.69 -1.72 3.99 -0.02 -1.26 -4.83 135.00 135.87 2gc4 n PRO 144 Ca -0.21 0.25 -0.40 0.00 -2.02 0.00 0.00 63.50 61.12 2gc4 n PRO 144 Cb 0.51 -1.84 0.02 0.00 -0.02 0.00 0.00 33.50 32.17 2gc4 n PRO 144 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2gc4 n PHE 145 N 2.36 2.28 -3.68 6.00 7.35 -0.40 -4.97 117.46 126.40 2gc4 n PHE 145 Ca 0.20 0.47 -0.10 0.00 -0.76 0.00 0.00 57.45 57.26 2gc4 n PHE 145 Cb 0.14 -2.39 -0.10 0.00 0.35 0.00 0.00 39.48 37.47 2gc4 n PHE 145 CO 0.00 0.00 0.00 -1.14 -0.76 0.00 0.00 176.76 174.86 2gc4 s GLN 146 N -2.36 0.33 0.00 -4.13 0.74 -1.26 -4.76 119.66 108.22 2gc4 s GLN 146 Ca 0.62 0.90 0.00 0.00 0.05 0.00 0.00 55.36 56.93 2gc4 s GLN 146 Cb -0.48 0.14 0.00 0.00 1.10 0.00 0.00 33.01 33.77 2gc4 s GLN 146 CO 0.57 -0.21 0.40 -2.30 -0.55 0.00 0.00 175.29 173.20