#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gj2 s THR 3 N 0.00 5.40 -0.12 0.00 2.01 -1.25 -0.01 115.64 121.68 2gj2 s THR 3 Ca 0.00 0.25 -0.03 0.00 0.31 0.00 0.00 61.69 62.22 2gj2 s THR 3 Cb 0.00 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 68.99 2gj2 s THR 3 CO 0.00 0.46 -0.01 0.12 -0.69 0.00 0.00 174.62 174.50 2gj2 s PHE 4 N 0.18 3.12 -0.12 4.92 5.36 -0.52 -4.85 117.98 126.07 2gj2 s PHE 4 Ca 0.10 0.02 -0.09 0.00 -0.96 0.00 0.00 56.93 56.00 2gj2 s PHE 4 Cb -0.11 -1.87 0.04 0.00 -0.34 0.00 0.00 43.02 40.73 2gj2 s PHE 4 CO -0.00 0.27 0.30 -0.65 -1.46 0.00 0.00 175.22 173.68 2gj2 s GLN 5 N -0.36 0.32 -0.05 10.12 -0.21 -1.26 -1.87 119.66 126.35 2gj2 s GLN 5 Ca 0.07 0.48 -0.04 0.00 0.02 0.00 0.00 55.36 55.89 2gj2 s GLN 5 Cb -0.12 0.09 0.02 0.00 1.00 0.00 0.00 33.01 34.00 2gj2 s GLN 5 CO 0.02 -0.08 0.13 -0.08 -2.12 0.00 0.00 175.29 173.17 2gj2 s THR 6 N 0.52 -0.01 -0.96 -0.19 -1.32 -1.05 -5.02 115.64 107.62 2gj2 s THR 6 Ca -0.03 0.05 0.22 0.00 -1.21 0.00 0.00 61.69 60.72 2gj2 s THR 6 Cb -0.04 -0.20 -0.16 0.00 -1.51 0.00 0.00 72.50 70.58 2gj2 s THR 6 CO -0.03 0.02 1.05 0.47 -2.21 0.00 0.00 174.62 173.92 2gj2 n ASP 7 N 3.35 0.81 -4.83 8.08 8.00 -1.26 -1.64 116.55 129.06 2gj2 n ASP 7 Ca -0.16 -0.72 -0.21 0.00 0.71 0.00 0.00 54.79 54.40 2gj2 n ASP 7 Cb 0.57 0.79 -0.04 0.00 -0.02 0.00 0.00 41.12 42.42 2gj2 n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gj2 s ALA 8 N -3.02 3.79 1.01 2.24 0.00 -1.26 -4.87 121.76 119.65 2gj2 s ALA 8 Ca 0.08 -1.70 -0.12 0.00 0.00 0.00 0.00 51.96 50.23 2gj2 s ALA 8 Cb 0.16 -1.08 0.16 0.00 0.00 0.00 0.00 23.12 22.36 2gj2 s ALA 8 CO 0.82 0.00 0.87 -0.25 0.00 0.00 0.00 175.76 177.20 2gj2 n ASP 9 N -1.34 -0.91 -3.83 0.00 8.00 -1.26 -4.66 116.55 112.54 2gj2 n ASP 9 Ca -0.02 0.20 -0.09 0.00 0.71 0.00 0.00 54.79 55.59 2gj2 n ASP 9 Cb 0.60 -1.32 -0.07 0.00 -0.02 0.00 0.00 41.12 40.31 2gj2 n ASP 9 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2gj2 s PHE 10 N -2.50 0.10 -0.02 1.24 -0.12 -0.43 0.40 117.98 116.65 2gj2 s PHE 10 Ca 0.65 -0.48 -0.05 0.00 -0.05 0.00 0.00 56.93 57.00 2gj2 s PHE 10 Cb -0.22 -0.03 -0.04 0.00 -0.63 0.00 0.00 43.02 42.10 2gj2 s PHE 10 CO 0.62 -0.53 0.21 -0.51 -0.05 0.00 0.00 175.22 174.96 2gj2 s LEU 11 N -2.70 4.38 -0.13 -1.99 1.43 0.18 -0.80 118.68 119.05 2gj2 s LEU 11 Ca 0.03 0.47 0.01 0.00 -1.03 0.00 0.00 54.13 53.61 2gj2 s LEU 11 Cb 0.03 -2.54 -0.01 0.00 0.03 0.00 0.00 46.19 43.71 2gj2 s LEU 11 CO -0.10 0.29 -0.16 -0.76 0.23 0.00 0.00 176.35 175.85 2gj2 s LEU 12 N -1.68 2.51 -0.05 1.79 1.43 -0.03 -1.38 118.68 121.28 2gj2 s LEU 12 Ca 0.25 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 2gj2 s LEU 12 Cb -0.13 -1.55 0.02 0.00 0.03 0.00 0.00 46.19 44.57 2gj2 s LEU 12 CO 0.15 0.15 -0.02 -0.69 0.23 0.00 0.00 176.35 176.16 2gj2 s VAL 13 N 0.44 0.41 0.33 -1.59 1.01 -0.22 -1.26 120.40 119.52 2gj2 s VAL 13 Ca -0.12 -0.02 -0.17 0.00 0.00 0.00 0.00 61.98 61.67 2gj2 s VAL 13 Cb -0.16 -0.48 0.06 0.00 0.00 0.00 0.00 36.38 35.80 2gj2 s VAL 13 CO 0.05 0.21 0.86 -0.83 0.00 0.00 0.00 175.10 175.39 2gj2 s GLY 14 N 1.15 0.31 0.00 4.51 0.00 -1.05 0.76 107.32 112.99 2gj2 s GLY 14 Ca -0.08 -0.65 0.22 0.00 0.00 0.00 0.00 44.72 44.21 2gj2 s GLY 14 CO -0.01 0.41 1.00 1.34 0.00 0.00 0.00 173.10 175.83 2gj2 n ASP 15 N -1.37 1.41 -3.44 1.64 2.03 -1.26 -4.63 116.55 110.93 2gj2 n ASP 15 Ca -0.07 -1.19 -0.28 0.00 0.52 0.00 0.00 54.79 53.77 2gj2 n ASP 15 Cb 0.60 0.76 -0.11 0.00 -0.72 0.00 0.00 41.12 41.64 2gj2 n ASP 15 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2gj2 s ASP 16 N -2.78 2.66 -0.37 1.67 2.15 -1.26 -5.00 116.67 113.74 2gj2 s ASP 16 Ca 0.13 -2.19 0.06 0.00 0.43 0.00 0.00 52.55 50.97 2gj2 s ASP 16 Cb 0.17 -0.30 0.64 0.00 -0.30 0.00 0.00 42.92 43.13 2gj2 s ASP 16 CO 0.74 -0.29 1.80 0.35 -0.17 0.00 0.00 175.17 177.60 2gj2 n THR 17 N 3.97 2.92 -0.17 1.71 -2.24 -1.26 -4.66 114.28 114.54 2gj2 n THR 17 Ca 0.13 -1.65 -0.10 0.00 -2.27 0.00 0.00 64.05 60.16 2gj2 n THR 17 Cb 0.39 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 2gj2 n THR 17 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2gj2 h SER 18 N 1.50 0.83 -0.43 3.42 0.02 -1.94 -3.25 113.55 113.70 2gj2 h SER 18 Ca 0.46 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2gj2 h SER 18 Cb 2.54 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 64.85 2gj2 h SER 18 CO 0.90 0.92 0.00 -1.14 -1.14 0.00 0.00 176.83 176.36 2gj2 n ARG 19 N -4.36 3.07 -0.11 3.45 0.63 -1.26 -4.61 116.66 113.47 2gj2 n ARG 19 Ca 0.01 -2.47 -0.09 0.00 -0.92 0.00 0.00 57.85 54.38 2gj2 n ARG 19 Cb 0.29 -1.57 -0.01 0.00 0.45 0.00 0.00 32.46 31.63 2gj2 n ARG 19 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 2gj2 h TYR 20 N 2.64 0.47 0.61 -0.14 -1.99 -1.88 -0.74 116.97 115.93 2gj2 h TYR 20 Ca 0.00 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.71 2gj2 h TYR 20 Cb 1.08 -0.16 -0.00 0.00 2.00 0.00 0.00 36.73 39.65 2gj2 h TYR 20 CO 0.43 0.33 -0.34 1.49 -0.00 0.00 0.00 178.16 180.07 2gj2 h GLU 21 N 0.48 -0.85 -0.07 4.88 4.81 -1.81 -1.89 114.58 120.11 2gj2 h GLU 21 Ca 0.13 0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.33 2gj2 h GLU 21 Cb -0.01 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 2gj2 h GLU 21 CO -0.03 -0.57 -0.35 1.05 -0.73 0.00 0.00 179.01 178.39 2gj2 h GLU 22 N -0.89 0.14 -0.17 1.92 4.11 -1.85 -2.68 114.58 115.16 2gj2 h GLU 22 Ca -0.08 -0.06 -0.15 0.00 0.07 0.00 0.00 59.36 59.14 2gj2 h GLU 22 Cb 0.71 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2gj2 h GLU 22 CO 0.10 0.48 -0.53 -0.39 0.07 0.00 0.00 179.01 178.74 2gj2 h VAL 23 N 0.13 1.33 -0.09 -1.06 -1.51 -1.09 -3.13 116.25 110.83 2gj2 h VAL 23 Ca 0.01 -1.78 -0.14 0.00 -1.23 0.00 0.00 66.70 63.56 2gj2 h VAL 23 Cb 0.68 1.77 -0.01 0.00 -2.13 0.00 0.00 31.29 31.60 2gj2 h VAL 23 CO 0.05 0.55 -0.57 0.24 -1.23 0.00 0.00 177.57 176.61 2gj2 h MET 24 N 0.38 0.27 0.00 5.19 2.86 -1.20 -2.96 114.93 119.48 2gj2 h MET 24 Ca 0.01 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 2gj2 h MET 24 Cb 1.06 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.74 2gj2 h MET 24 CO 0.10 0.77 0.00 1.63 1.06 0.00 0.00 176.91 180.46 2gj2 n LYS 25 N -3.91 0.61 0.00 1.72 5.02 -1.02 -2.08 118.16 118.51 2gj2 n LYS 25 Ca -0.02 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.38 2gj2 n LYS 25 Cb 0.59 -1.20 0.03 0.00 -0.02 0.00 0.00 35.03 34.44 2gj2 n LYS 25 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2gj2 n THR 26 N -0.70 0.00 -3.35 -0.18 -2.24 -1.12 -4.88 114.28 101.82 2gj2 n THR 26 Ca 0.06 -0.34 -0.38 0.00 -2.27 0.00 0.00 64.05 61.11 2gj2 n THR 26 Cb 0.03 1.33 -0.06 0.00 -2.10 0.00 0.00 70.33 69.53 2gj2 n THR 26 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2gj2 s PHE 27 N -2.28 3.71 -1.83 4.78 0.40 -0.88 -4.95 117.98 116.93 2gj2 s PHE 27 Ca 0.21 1.10 0.28 0.00 -0.60 0.00 0.00 56.93 57.92 2gj2 s PHE 27 Cb 0.18 -2.45 1.61 0.00 0.51 0.00 0.00 43.02 42.87 2gj2 s PHE 27 CO 0.47 0.50 2.02 -0.25 0.70 0.00 0.00 175.22 178.66 2gj2 n ASP 28 N 2.26 0.00 -0.18 1.36 9.92 -1.26 -3.10 116.55 125.55 2gj2 n ASP 28 Ca -0.10 -0.66 0.10 0.00 -0.53 0.00 0.00 54.79 53.60 2gj2 n ASP 28 Cb 0.51 -0.08 -0.08 0.00 -0.64 0.00 0.00 41.12 40.83 2gj2 n ASP 28 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 2gj2 n THR 29 N -1.08 0.00 -3.05 -3.53 -2.24 -1.26 -4.92 114.28 98.19 2gj2 n THR 29 Ca 0.19 -0.10 -0.41 0.00 -2.27 0.00 0.00 64.05 61.46 2gj2 n THR 29 Cb 0.13 1.10 -0.05 0.00 -2.10 0.00 0.00 70.33 69.40 2gj2 n THR 29 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2gj2 s VAL 30 N -2.77 4.96 -0.12 2.28 1.01 -1.18 -0.61 120.40 123.97 2gj2 s VAL 30 Ca 0.12 1.29 -0.24 0.00 0.00 0.00 0.00 61.98 63.14 2gj2 s VAL 30 Cb 0.17 -3.99 -0.27 0.00 0.00 0.00 0.00 36.38 32.28 2gj2 s VAL 30 CO 0.75 0.04 0.71 -0.08 0.00 0.00 0.00 175.10 176.52 2gj2 h GLU 31 N 7.62 0.12 -3.19 2.72 4.81 -1.01 -3.45 114.58 122.21 2gj2 h GLU 31 Ca -0.28 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 58.70 2gj2 h GLU 31 Cb 1.13 0.08 -0.13 0.00 0.63 0.00 0.00 28.75 30.45 2gj2 h GLU 31 CO 0.80 1.10 0.01 0.00 -0.73 0.00 0.00 179.01 180.19 2gj2 s ALA 32 N -2.33 -1.16 -0.09 2.92 0.00 -1.21 -5.01 121.76 114.88 2gj2 s ALA 32 Ca -0.19 0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.97 2gj2 s ALA 32 Cb 0.00 0.68 0.02 0.00 0.00 0.00 0.00 23.12 23.83 2gj2 s ALA 32 CO 0.73 -0.65 -0.06 0.08 0.00 0.00 0.00 175.76 175.86 2gj2 s VAL 33 N -3.53 0.85 0.07 0.00 1.01 -1.26 -0.31 120.40 117.22 2gj2 s VAL 33 Ca 0.01 -0.21 0.09 0.00 0.00 0.00 0.00 61.98 61.86 2gj2 s VAL 33 Cb 0.01 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 2gj2 s VAL 33 CO -0.10 0.32 -0.23 -0.13 0.00 0.00 0.00 175.10 174.96 2gj2 s ARG 34 N 1.47 1.46 -0.29 2.72 0.52 0.64 -4.96 118.95 120.51 2gj2 s ARG 34 Ca -0.01 -1.08 -0.18 0.00 -0.52 0.00 0.00 55.73 53.94 2gj2 s ARG 34 Cb -0.13 -1.67 -0.02 0.00 0.52 0.00 0.00 34.95 33.65 2gj2 s ARG 34 CO -0.04 0.42 0.52 0.21 0.02 0.00 0.00 175.30 176.42 2gj2 s LYS 35 N -1.45 3.94 0.52 3.54 2.20 -1.26 0.01 119.74 127.23 2gj2 s LYS 35 Ca 0.09 0.18 -0.22 0.00 -0.36 0.00 0.00 55.97 55.66 2gj2 s LYS 35 Cb -0.09 -3.70 -0.06 0.00 -1.51 0.00 0.00 37.83 32.46 2gj2 s LYS 35 CO 0.03 -0.44 1.29 0.45 -0.36 0.00 0.00 175.35 176.32 2gj2 n SER 36 N 5.62 2.44 -0.97 1.43 2.88 0.91 -4.88 113.62 121.03 2gj2 n SER 36 Ca -0.04 0.99 0.08 0.00 -1.33 0.00 0.00 58.87 58.57 2gj2 n SER 36 Cb 0.49 -1.54 0.24 0.00 -0.75 0.00 0.00 64.21 62.66 2gj2 n SER 36 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2gj2 n ASP 37 N -0.65 3.60 0.10 -3.46 5.68 -1.26 -4.10 116.55 116.46 2gj2 n ASP 37 Ca 0.10 -2.25 -0.17 0.00 -0.50 0.00 0.00 54.79 51.97 2gj2 n ASP 37 Cb 0.44 -0.39 -0.14 0.00 -1.14 0.00 0.00 41.12 39.88 2gj2 n ASP 37 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 2gj2 h LEU 38 N 2.74 0.45 -7.00 -2.12 5.85 -1.93 -3.47 115.31 109.83 2gj2 h LEU 38 Ca 0.00 -0.51 0.10 0.00 0.84 0.00 0.00 57.88 58.32 2gj2 h LEU 38 Cb 1.03 -0.15 -0.23 0.00 0.37 0.00 0.00 40.66 41.68 2gj2 h LEU 38 CO 0.08 1.40 0.60 -0.62 -0.34 0.00 0.00 178.44 179.56 2gj2 s ASP 39 N -7.15 -0.32 0.06 1.25 2.15 -1.26 -5.07 116.67 106.34 2gj2 s ASP 39 Ca -0.05 0.35 0.28 0.00 0.43 0.00 0.00 52.55 53.55 2gj2 s ASP 39 Cb 0.07 0.27 1.11 0.00 -0.30 0.00 0.00 42.92 44.06 2gj2 s ASP 39 CO 0.88 -0.31 1.88 0.47 -0.17 0.00 0.00 175.17 177.92 2gj2 n ASP 40 N 0.68 0.23 0.00 -0.34 9.92 -1.26 -2.91 116.55 122.87 2gj2 n ASP 40 Ca -0.09 0.52 0.13 0.00 -0.53 0.00 0.00 54.79 54.83 2gj2 n ASP 40 Cb 0.58 -0.58 0.60 0.00 -0.64 0.00 0.00 41.12 41.08 2gj2 n ASP 40 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2gj2 n ARG 41 N -1.72 0.08 -4.49 -1.24 3.00 -1.26 -4.85 116.66 106.19 2gj2 n ARG 41 Ca 0.06 0.04 -0.34 0.00 -0.01 0.00 0.00 57.85 57.60 2gj2 n ARG 41 Cb 0.36 -1.50 -0.12 0.00 0.00 0.00 0.00 32.46 31.20 2gj2 n ARG 41 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2gj2 s VAL 42 N -2.91 3.76 0.10 1.55 1.01 -1.14 -2.54 120.40 120.23 2gj2 s VAL 42 Ca 0.16 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 61.79 2gj2 s VAL 42 Cb 0.18 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 2gj2 s VAL 42 CO 0.47 0.52 -0.18 -0.31 0.00 0.00 0.00 175.10 175.60 2gj2 s TYR 43 N 0.11 1.61 -0.09 5.22 1.51 -0.39 -0.06 117.35 125.26 2gj2 s TYR 43 Ca -0.02 -0.45 0.01 0.00 -1.01 0.00 0.00 57.07 55.60 2gj2 s TYR 43 Cb -0.14 -0.87 -0.02 0.00 -0.11 0.00 0.00 41.96 40.82 2gj2 s TYR 43 CO 0.03 0.17 -0.11 0.00 -1.11 0.00 0.00 175.55 174.54 2gj2 s MET 44 N -2.04 2.95 -0.16 -0.62 0.23 0.10 -0.85 119.30 118.92 2gj2 s MET 44 Ca 0.05 -0.63 0.01 0.00 -1.03 0.00 0.00 55.69 54.10 2gj2 s MET 44 Cb -0.09 -2.57 0.02 0.00 -1.53 0.00 0.00 34.83 30.66 2gj2 s MET 44 CO 0.04 0.48 -0.19 0.08 -2.03 0.00 0.00 175.02 173.39 2gj2 s VAL 45 N -0.32 1.96 -0.20 5.16 1.01 0.02 -0.26 120.40 127.77 2gj2 s VAL 45 Ca 0.04 -0.89 -0.14 0.00 0.00 0.00 0.00 61.98 60.98 2gj2 s VAL 45 Cb -0.13 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 2gj2 s VAL 45 CO 0.02 0.53 0.33 0.00 0.00 0.00 0.00 175.10 175.98 2gj2 s LEU 47 N 1.05 4.50 0.54 0.00 1.43 -1.26 -0.40 118.68 124.54 2gj2 s LEU 47 Ca 0.17 1.15 -0.22 0.00 -1.03 0.00 0.00 54.13 54.20 2gj2 s LEU 47 Cb -0.14 -2.81 -0.05 0.00 0.03 0.00 0.00 46.19 43.22 2gj2 s LEU 47 CO 0.06 0.28 1.31 0.29 0.23 0.00 0.00 176.35 178.53 2gj2 n LYS 48 N 1.71 1.64 -1.67 1.70 5.02 0.22 -4.71 118.16 122.06 2gj2 n LYS 48 Ca -0.11 0.60 -0.44 0.00 -2.02 0.00 0.00 58.31 56.34 2gj2 n LYS 48 Cb 0.51 -2.52 -0.02 0.00 -0.02 0.00 0.00 35.03 32.98 2gj2 n LYS 48 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 2gj2 n GLN 49 N -0.90 2.02 -0.91 1.97 7.27 -1.26 -1.53 117.38 124.03 2gj2 n GLN 49 Ca 0.10 0.72 0.00 0.00 0.07 0.00 0.00 57.00 57.89 2gj2 n GLN 49 Cb 0.44 -2.35 0.00 0.00 2.41 0.00 0.00 30.24 30.75 2gj2 n GLN 49 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2gj2 n GLY 50 N 1.86 0.71 3.94 1.69 0.00 -1.26 -5.01 105.19 107.12 2gj2 n GLY 50 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 2gj2 n GLY 50 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gj2 s SER 51 N -2.65 6.36 -0.12 1.61 0.01 -0.58 -5.11 113.70 113.22 2gj2 s SER 51 Ca 0.00 0.30 0.03 0.00 1.31 0.00 0.00 55.95 57.59 2gj2 s SER 51 Cb 0.00 -1.97 0.01 0.00 0.21 0.00 0.00 66.02 64.27 2gj2 s SER 51 CO 0.00 -0.04 -0.22 -0.89 0.41 0.00 0.00 173.24 172.50 2gj2 s THR 52 N -1.89 1.99 -0.20 1.44 2.01 -1.26 -4.70 115.64 113.04 2gj2 s THR 52 Ca 0.37 -0.95 -0.21 0.00 0.31 0.00 0.00 61.69 61.21 2gj2 s THR 52 Cb -0.11 -1.75 -0.03 0.00 0.01 0.00 0.00 72.50 70.63 2gj2 s THR 52 CO 0.29 0.54 0.62 0.12 -0.69 0.00 0.00 174.62 175.50 2gj2 s PHE 53 N 0.67 3.38 -0.08 4.92 5.36 -0.65 -4.92 117.98 126.65 2gj2 s PHE 53 Ca -0.11 0.91 0.01 0.00 -0.96 0.00 0.00 56.93 56.78 2gj2 s PHE 53 Cb -0.16 -2.78 0.02 0.00 -0.34 0.00 0.00 43.02 39.75 2gj2 s PHE 53 CO 0.02 -0.16 -0.09 0.14 -1.46 0.00 0.00 175.22 173.66 2gj2 s VAL 54 N 1.86 0.99 -0.31 3.12 -7.23 -1.26 -2.51 120.40 115.06 2gj2 s VAL 54 Ca 0.28 -0.34 0.01 0.00 -1.81 0.00 0.00 61.98 60.12 2gj2 s VAL 54 Cb -0.16 -0.96 0.07 0.00 0.56 0.00 0.00 36.38 35.89 2gj2 s VAL 54 CO 0.10 0.34 -0.01 -0.76 -0.31 0.00 0.00 175.10 174.47 2gj2 s LEU 55 N 1.15 4.08 0.46 1.32 1.43 -0.78 -4.99 118.68 121.34 2gj2 s LEU 55 Ca -0.06 -1.59 0.11 0.00 -1.03 0.00 0.00 54.13 51.56 2gj2 s LEU 55 Cb -0.14 -1.65 1.05 0.00 0.03 0.00 0.00 46.19 45.48 2gj2 s LEU 55 CO -0.02 -0.29 2.10 0.78 0.23 0.00 0.00 176.35 179.15 2gj2 h ASN 56 N 7.84 0.26 0.81 2.29 4.21 -1.86 -1.23 115.58 127.91 2gj2 h ASN 56 Ca -0.16 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.35 2gj2 h ASN 56 Cb 1.04 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 38.18 2gj2 h ASN 56 CO 0.52 0.19 -0.15 0.61 -1.29 0.00 0.00 177.43 177.31 2gj2 n GLY 57 N -1.51 -1.39 2.42 2.83 0.00 -1.25 -3.78 105.19 102.51 2gj2 n GLY 57 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2gj2 n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gj2 n GLY 58 N 1.48 -2.19 0.32 -0.02 0.00 0.98 -4.00 105.19 101.77 2gj2 n GLY 58 Ca 0.07 -1.80 0.21 0.00 0.00 0.00 0.00 46.02 44.50 2gj2 n GLY 58 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2gj2 h ILE 59 N 0.00 0.08 -0.62 -0.61 2.04 -1.88 -1.71 117.51 114.82 2gj2 h ILE 59 Ca 0.00 -0.10 -0.09 0.00 1.00 0.00 0.00 64.86 65.67 2gj2 h ILE 59 Cb 0.00 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 2gj2 h ILE 59 CO 0.00 0.01 0.04 -0.33 0.00 0.00 0.00 178.15 177.86 2gj2 h GLU 60 N 0.00 1.05 -0.85 2.37 3.07 -1.95 -1.28 114.58 116.99 2gj2 h GLU 60 Ca -0.00 -0.31 0.03 0.00 -0.50 0.00 0.00 59.36 58.58 2gj2 h GLU 60 Cb 0.09 -0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 27.84 2gj2 h GLU 60 CO 0.00 1.01 0.56 1.49 -1.40 0.00 0.00 179.01 180.67 2gj2 h GLU 61 N 0.97 1.03 0.00 2.33 4.81 -1.44 -1.27 114.58 121.02 2gj2 h GLU 61 Ca 0.18 -0.06 -0.17 0.00 -0.13 0.00 0.00 59.36 59.18 2gj2 h GLU 61 Cb 0.51 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 2gj2 h GLU 61 CO 0.02 0.68 -0.81 1.25 -0.73 0.00 0.00 179.01 179.43 2gj2 h LEU 62 N 1.07 0.03 -0.79 1.64 5.85 -1.49 -1.98 115.31 119.63 2gj2 h LEU 62 Ca 0.34 -0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.94 2gj2 h LEU 62 Cb 0.02 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2gj2 h LEU 62 CO -0.10 0.82 -0.13 0.03 -0.34 0.00 0.00 178.44 178.73 2gj2 h ARG 63 N 0.01 0.77 0.56 1.25 3.08 -0.47 -1.34 114.38 118.25 2gj2 h ARG 63 Ca -0.01 -0.26 -0.03 0.00 0.07 0.00 0.00 59.98 59.75 2gj2 h ARG 63 Cb 1.43 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 31.42 2gj2 h ARG 63 CO 0.11 0.86 -0.27 -0.07 -1.07 0.00 0.00 179.97 179.53 2gj2 h LEU 64 N 0.69 -0.64 -1.39 3.04 3.38 -1.15 0.26 115.31 119.51 2gj2 h LEU 64 Ca 0.11 0.02 0.35 0.00 0.09 0.00 0.00 57.88 58.45 2gj2 h LEU 64 Cb 0.61 0.17 -0.11 0.00 0.09 0.00 0.00 40.66 41.42 2gj2 h LEU 64 CO 0.04 -0.27 0.75 -0.07 0.09 0.00 0.00 178.44 178.98 2gj2 h LEU 65 N -1.13 0.35 0.00 1.67 3.38 -1.35 0.40 115.31 118.63 2gj2 h LEU 65 Ca -0.08 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2gj2 h LEU 65 Cb 0.58 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2gj2 h LEU 65 CO 0.13 -0.05 -0.98 0.00 0.09 0.00 0.00 178.44 177.63 2gj2 h THR 66 N 0.24 0.15 -1.79 0.22 1.03 -1.17 -3.48 112.91 108.12 2gj2 h THR 66 Ca 0.70 -1.28 -0.09 0.00 -0.01 0.00 0.00 66.41 65.73 2gj2 h THR 66 Cb 2.01 1.70 0.02 0.00 -1.07 0.00 0.00 68.15 70.82 2gj2 h THR 66 CO -0.36 0.08 -0.15 0.61 -0.01 0.00 0.00 175.52 175.70 2gj2 n GLY 67 N 1.22 0.52 2.63 2.99 0.00 0.14 -4.60 105.19 108.10 2gj2 n GLY 67 Ca -0.02 -0.52 -0.24 0.00 0.00 0.00 0.00 46.02 45.25 2gj2 n GLY 67 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gj2 s ASP 68 N -3.01 2.76 0.00 1.61 -1.08 -0.22 -4.97 116.67 111.76 2gj2 s ASP 68 Ca 0.10 -1.05 0.22 0.00 -0.52 0.00 0.00 52.55 51.30 2gj2 s ASP 68 Cb -0.05 -0.00 1.06 0.00 -1.46 0.00 0.00 42.92 42.47 2gj2 s ASP 68 CO 0.13 -0.42 1.71 -1.54 0.52 0.00 0.00 175.17 175.57 2gj2 n SER 69 N 5.28 0.00 0.01 -0.34 3.41 -1.26 -2.65 113.62 118.06 2gj2 n SER 69 Ca -0.04 0.12 0.11 0.00 -0.26 0.00 0.00 58.87 58.80 2gj2 n SER 69 Cb 0.44 -0.35 -0.00 0.00 -0.26 0.00 0.00 64.21 64.04 2gj2 n SER 69 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2gj2 n THR 70 N -1.35 0.04 -1.53 6.66 -2.24 -1.26 -5.00 114.28 109.60 2gj2 n THR 70 Ca 0.09 -0.09 -0.49 0.00 -2.27 0.00 0.00 64.05 61.29 2gj2 n THR 70 Cb 0.20 0.57 -0.04 0.00 -2.10 0.00 0.00 70.33 68.96 2gj2 n THR 70 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2gj2 n LEU 71 N -1.66 0.82 -4.16 3.22 -0.00 -1.08 -4.69 117.00 109.44 2gj2 n LEU 71 Ca 0.03 1.15 -0.16 0.00 -0.00 0.00 0.00 56.01 57.03 2gj2 n LEU 71 Cb 0.37 -1.14 -0.11 0.00 -0.00 0.00 0.00 43.42 42.54 2gj2 n LEU 71 CO 0.41 -1.75 -0.44 -1.61 -0.00 0.00 0.00 177.39 174.00 2gj2 s GLU 72 N -0.71 0.79 -0.00 1.96 0.41 0.23 -4.97 118.70 116.41 2gj2 s GLU 72 Ca 0.70 -0.99 0.07 0.00 -0.41 0.00 0.00 54.97 54.34 2gj2 s GLU 72 Cb -0.88 -0.67 -0.02 0.00 -1.78 0.00 0.00 34.13 30.78 2gj2 s GLU 72 CO 0.55 0.13 -0.22 -1.50 -0.49 0.00 0.00 175.26 173.74 2gj2 s ILE 73 N -1.65 1.73 -0.25 -1.63 2.07 -1.26 -1.06 121.20 119.15 2gj2 s ILE 73 Ca -0.01 -1.01 -0.02 0.00 -1.41 0.00 0.00 60.65 58.20 2gj2 s ILE 73 Cb -0.08 -1.45 0.08 0.00 0.13 0.00 0.00 42.46 41.14 2gj2 s ILE 73 CO 0.01 0.42 0.06 -1.58 -1.91 0.00 0.00 174.94 171.95 2gj2 s GLN 74 N -0.69 0.67 0.28 3.50 2.00 -0.48 -4.96 119.66 119.98 2gj2 s GLN 74 Ca 0.08 -0.70 -0.29 0.00 -2.00 0.00 0.00 55.36 52.45 2gj2 s GLN 74 Cb -0.09 -1.99 -0.10 0.00 0.80 0.00 0.00 33.01 31.63 2gj2 s GLN 74 CO -0.00 -0.81 1.37 -2.14 -0.50 0.00 0.00 175.29 173.22 2gj2 s PRO 75 N 1.77 4.31 0.96 1.67 0.02 -1.26 0.51 135.00 142.98 2gj2 s PRO 75 Ca 0.04 2.25 -0.14 0.00 0.02 0.00 0.00 61.00 63.17 2gj2 s PRO 75 Cb -0.17 -3.10 0.17 0.00 0.02 0.00 0.00 34.50 31.42 2gj2 s PRO 75 CO -0.17 -0.31 1.16 -1.64 -0.33 0.00 0.00 177.00 175.71 2gj2 s MET 76 N -0.99 0.73 0.40 5.54 -1.94 0.16 -4.87 119.30 118.33 2gj2 s MET 76 Ca 0.55 0.14 0.07 0.00 -1.71 0.00 0.00 55.69 54.74 2gj2 s MET 76 Cb -0.41 -1.81 0.00 0.00 2.01 0.00 0.00 34.83 34.63 2gj2 s MET 76 CO 0.47 -2.45 0.54 0.42 -0.01 0.00 0.00 175.02 174.00 2gj2 s ILE 77 N -3.33 3.37 0.00 2.53 1.09 -1.26 -4.74 121.20 118.86 2gj2 s ILE 77 Ca 0.66 -0.98 0.00 0.00 -1.10 0.00 0.00 60.65 59.23 2gj2 s ILE 77 Cb -0.12 -3.14 0.00 0.00 -1.06 0.00 0.00 42.46 38.13 2gj2 s ILE 77 CO 0.54 -0.06 0.00 1.33 -0.10 0.00 0.00 174.94 176.65 2gj2 n VAL 78 N -1.80 0.00 -3.26 2.92 0.24 -1.26 -4.97 118.33 110.21 2gj2 n VAL 78 Ca 0.05 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 62.03 2gj2 n VAL 78 Cb 0.59 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.91 2gj2 n VAL 78 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2gj2 n PRO 79 N -1.05 3.22 0.00 7.34 -0.04 -1.26 -5.15 135.00 138.06 2gj2 n PRO 79 Ca 0.00 -4.65 0.00 0.00 -0.04 0.00 0.00 63.50 58.81 2gj2 n PRO 79 Cb 0.00 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.12 2gj2 n PRO 79 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87