#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 2.66 -0.16 0.00 2.01 -0.54 -0.54 115.64 119.07 2gj2 s THR 3 Ca 0.00 0.56 -0.05 0.00 0.31 0.00 0.00 61.69 62.52 2gj2 s THR 3 Cb 0.00 -3.36 -0.03 0.00 0.01 0.00 0.00 72.50 69.12 2gj2 s THR 3 CO 0.00 0.10 -0.01 0.12 -0.69 0.00 0.00 174.62 174.14 2gj2 s PHE 4 N -0.16 3.09 -0.09 4.92 5.36 0.14 -4.79 117.98 126.45 2gj2 s PHE 4 Ca 0.58 -0.19 -0.05 0.00 -0.96 0.00 0.00 56.93 56.31 2gj2 s PHE 4 Cb -0.42 -1.99 0.04 0.00 -0.34 0.00 0.00 43.02 40.31 2gj2 s PHE 4 CO 0.45 0.03 0.20 -1.14 -1.46 0.00 0.00 175.22 173.30 2gj2 s GLN 5 N 0.33 0.18 -0.08 10.12 0.74 -1.26 -1.35 119.66 128.34 2gj2 s GLN 5 Ca -0.02 0.41 -0.30 0.00 0.05 0.00 0.00 55.36 55.50 2gj2 s GLN 5 Cb -0.14 -0.06 0.09 0.00 1.10 0.00 0.00 33.01 34.00 2gj2 s GLN 5 CO 0.02 -0.12 0.81 -0.08 -0.55 0.00 0.00 175.29 175.37 2gj2 s THR 6 N 0.87 0.00 -1.05 -0.34 -1.32 -1.08 -5.01 115.64 107.70 2gj2 s THR 6 Ca -0.06 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 60.62 2gj2 s THR 6 Cb -0.08 -1.00 -0.21 0.00 -1.51 0.00 0.00 72.50 69.70 2gj2 s THR 6 CO -0.05 0.00 0.89 0.47 -2.21 0.00 0.00 174.62 173.72 2gj2 n ASP 7 N 0.73 1.06 -4.90 8.08 8.00 -1.26 -1.47 116.55 126.78 2gj2 n ASP 7 Ca -0.15 -1.03 -0.31 0.00 0.71 0.00 0.00 54.79 54.01 2gj2 n ASP 7 Cb 0.58 0.96 -0.04 0.00 -0.02 0.00 0.00 41.12 42.59 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 -2.91 3.83 1.14 2.24 0.00 -1.26 -4.89 121.76 119.91 2gj2 s ALA 8 Ca 0.09 -0.62 -0.12 0.00 0.00 0.00 0.00 51.96 51.30 2gj2 s ALA 8 Cb 0.16 -2.07 0.27 0.00 0.00 0.00 0.00 23.12 21.47 2gj2 s ALA 8 CO 0.83 0.68 1.01 -0.25 0.00 0.00 0.00 175.76 178.03 2gj2 n ASP 9 N 0.07 -1.43 -3.50 0.00 8.00 -1.26 -4.74 116.55 113.68 2gj2 n ASP 9 Ca -0.03 -0.07 -0.16 0.00 0.71 0.00 0.00 54.79 55.24 2gj2 n ASP 9 Cb 0.52 -1.29 -0.05 0.00 -0.02 0.00 0.00 41.12 40.28 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 -2.44 -0.61 0.36 1.24 -0.12 -0.55 -1.68 117.98 114.18 2gj2 s PHE 10 Ca 0.68 0.90 -0.15 0.00 -0.05 0.00 0.00 56.93 58.31 2gj2 s PHE 10 Cb -0.25 0.45 -0.09 0.00 -0.63 0.00 0.00 43.02 42.50 2gj2 s PHE 10 CO 0.64 -0.65 0.77 -0.51 -0.05 0.00 0.00 175.22 175.43 2gj2 s LEU 11 N -1.57 3.99 -0.12 -1.99 1.43 -0.52 -0.44 118.68 119.46 2gj2 s LEU 11 Ca -0.07 1.30 0.01 0.00 -1.03 0.00 0.00 54.13 54.34 2gj2 s LEU 11 Cb -0.00 -4.13 0.02 0.00 0.03 0.00 0.00 46.19 42.11 2gj2 s LEU 11 CO 0.04 -0.27 -0.12 -0.76 0.23 0.00 0.00 176.35 175.47 2gj2 s LEU 12 N -3.20 1.53 -0.00 1.79 1.43 0.15 -1.42 118.68 118.96 2gj2 s LEU 12 Ca 0.55 -0.39 0.03 0.00 -1.03 0.00 0.00 54.13 53.29 2gj2 s LEU 12 Cb -0.10 -1.00 -0.01 0.00 0.03 0.00 0.00 46.19 45.11 2gj2 s LEU 12 CO 0.20 -0.05 -0.11 -0.69 0.23 0.00 0.00 176.35 175.93 2gj2 s VAL 13 N 1.31 0.88 0.08 -1.59 1.01 0.18 -0.49 120.40 121.79 2gj2 s VAL 13 Ca -0.01 -0.51 -0.07 0.00 0.00 0.00 0.00 61.98 61.40 2gj2 s VAL 13 Cb -0.14 -0.74 0.02 0.00 0.00 0.00 0.00 36.38 35.53 2gj2 s VAL 13 CO -0.06 0.22 0.33 0.61 0.00 0.00 0.00 175.10 176.20 2gj2 n GLY 14 N 2.73 1.22 0.01 4.51 0.00 -1.02 -0.38 105.19 112.26 2gj2 n GLY 14 Ca -0.14 -1.02 0.09 0.00 0.00 0.00 0.00 46.02 44.94 2gj2 n GLY 14 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2gj2 n ASP 15 N -0.92 0.39 -3.43 1.61 2.03 -1.26 -4.71 116.55 110.26 2gj2 n ASP 15 Ca -0.01 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.03 2gj2 n ASP 15 Cb 0.20 1.86 -0.10 0.00 -0.72 0.00 0.00 41.12 42.36 2gj2 n ASP 15 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2gj2 n ASP 16 N -2.23 0.01 -0.67 1.67 2.03 -1.26 -4.98 116.55 111.11 2gj2 n ASP 16 Ca -0.05 -2.51 0.05 0.00 0.52 0.00 0.00 54.79 52.79 2gj2 n ASP 16 Cb 0.56 -0.58 0.14 0.00 -0.72 0.00 0.00 41.12 40.52 2gj2 n ASP 16 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2gj2 n THR 17 N 2.57 0.55 0.18 5.18 -2.24 -1.26 -4.51 114.28 114.75 2gj2 n THR 17 Ca 0.28 -0.44 0.17 0.00 -2.27 0.00 0.00 64.05 61.79 2gj2 n THR 17 Cb 0.47 0.09 0.80 0.00 -2.10 0.00 0.00 70.33 69.59 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 1.78 0.00 -0.24 3.42 0.02 -1.93 -2.62 113.55 113.97 2gj2 h SER 18 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2gj2 h SER 18 Cb 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.09 2gj2 h SER 18 CO 0.04 0.00 0.00 -1.14 -1.14 0.00 0.00 176.83 174.59 2gj2 n ARG 19 N -3.90 2.90 0.10 3.45 0.63 -1.26 -4.74 116.66 113.84 2gj2 n ARG 19 Ca 0.02 -1.90 -0.13 0.00 -0.92 0.00 0.00 57.85 54.92 2gj2 n ARG 19 Cb 0.35 -1.20 -0.08 0.00 0.45 0.00 0.00 32.46 31.99 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 1.41 -0.15 -0.34 -0.14 -1.99 -1.79 -0.70 116.97 113.27 2gj2 h TYR 20 Ca 0.00 -0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.74 2gj2 h TYR 20 Cb 0.67 0.05 -0.02 0.00 2.00 0.00 0.00 36.73 39.44 2gj2 h TYR 20 CO 0.17 -0.06 0.21 0.93 -0.00 0.00 0.00 178.16 179.41 2gj2 h GLU 21 N -0.21 0.42 -0.23 4.88 5.08 -1.85 -1.56 114.58 121.11 2gj2 h GLU 21 Ca -0.02 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.13 2gj2 h GLU 21 Cb 0.16 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2gj2 h GLU 21 CO 0.03 0.28 -0.61 1.05 -1.00 0.00 0.00 179.01 178.76 2gj2 h GLU 22 N 0.44 0.79 -0.45 2.33 4.11 -1.87 -1.80 114.58 118.12 2gj2 h GLU 22 Ca 0.13 -0.53 -0.11 0.00 0.07 0.00 0.00 59.36 58.92 2gj2 h GLU 22 Cb -0.02 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2gj2 h GLU 22 CO -0.05 1.16 -0.13 -0.39 0.07 0.00 0.00 179.01 179.68 2gj2 h VAL 23 N 0.59 1.27 -0.60 -1.06 -1.51 -1.06 -3.18 116.25 110.70 2gj2 h VAL 23 Ca -0.00 -1.25 -0.06 0.00 -1.23 0.00 0.00 66.70 64.16 2gj2 h VAL 23 Cb 1.21 1.14 -0.02 0.00 -2.13 0.00 0.00 31.29 31.48 2gj2 h VAL 23 CO 0.13 0.43 0.16 0.24 -1.23 0.00 0.00 177.57 177.30 2gj2 h MET 24 N 0.73 0.96 0.00 5.19 2.86 -1.27 -2.41 114.93 120.98 2gj2 h MET 24 Ca 0.11 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 2gj2 h MET 24 Cb 0.68 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.21 2gj2 h MET 24 CO 0.05 0.87 0.00 1.63 1.06 0.00 0.00 176.91 180.52 2gj2 n LYS 25 N -4.36 0.00 0.11 1.72 5.02 -0.68 -1.46 118.16 118.51 2gj2 n LYS 25 Ca 0.03 0.44 0.03 0.00 -2.02 0.00 0.00 58.31 56.79 2gj2 n LYS 25 Cb 0.23 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 2gj2 n LYS 25 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2gj2 h THR 26 N 0.00 0.64 -3.34 -0.18 1.35 -1.45 -3.45 112.91 106.47 2gj2 h THR 26 Ca 0.00 -1.99 -0.53 0.00 -0.55 0.00 0.00 66.41 63.34 2gj2 h THR 26 Cb 0.02 2.22 -0.00 0.00 -1.73 0.00 0.00 68.15 68.66 2gj2 h THR 26 CO 0.00 0.36 0.48 -0.36 -0.25 0.00 0.00 175.52 175.75 2gj2 s PHE 27 N -3.00 3.55 -0.01 4.73 0.40 -0.54 -4.91 117.98 118.22 2gj2 s PHE 27 Ca 0.02 1.50 0.31 0.00 -0.60 0.00 0.00 56.93 58.16 2gj2 s PHE 27 Cb 0.08 -3.29 1.41 0.00 0.51 0.00 0.00 43.02 41.74 2gj2 s PHE 27 CO 0.76 -0.70 1.94 -0.44 0.70 0.00 0.00 175.22 177.48 2gj2 h ASP 28 N 6.42 0.00 1.50 1.36 3.32 -1.88 -2.71 116.42 124.44 2gj2 h ASP 28 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 2gj2 h ASP 28 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 2gj2 h ASP 28 CO 0.77 0.00 0.00 0.71 -1.72 0.00 0.00 179.24 179.00 2gj2 h THR 29 N 0.00 0.00 -3.26 0.35 1.35 -1.93 -3.46 112.91 105.97 2gj2 h THR 29 Ca 0.00 -0.57 -0.56 0.00 -0.55 0.00 0.00 66.41 64.72 2gj2 h THR 29 Cb 0.33 1.55 -0.04 0.00 -1.73 0.00 0.00 68.15 68.26 2gj2 h THR 29 CO 0.00 0.00 0.55 -0.69 -0.25 0.00 0.00 175.52 175.13 2gj2 s VAL 30 N -3.17 4.80 -0.12 6.82 1.01 -1.02 -0.56 120.40 128.15 2gj2 s VAL 30 Ca 0.09 1.98 -0.25 0.00 0.00 0.00 0.00 61.98 63.80 2gj2 s VAL 30 Cb 0.10 -4.29 -0.27 0.00 0.00 0.00 0.00 36.38 31.93 2gj2 s VAL 30 CO 0.59 0.00 0.72 -0.08 0.00 0.00 0.00 175.10 176.33 2gj2 h GLU 31 N 7.14 0.11 -2.34 2.72 4.81 -0.32 -3.43 114.58 123.27 2gj2 h GLU 31 Ca -0.30 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 58.71 2gj2 h GLU 31 Cb 1.14 0.07 -0.17 0.00 0.63 0.00 0.00 28.75 30.43 2gj2 h GLU 31 CO 0.86 1.09 0.24 0.00 -0.73 0.00 0.00 179.01 180.47 2gj2 s ALA 32 N -2.32 -1.73 -0.13 2.92 0.00 -1.08 -5.00 121.76 114.42 2gj2 s ALA 32 Ca -0.19 1.03 0.00 0.00 0.00 0.00 0.00 51.96 52.81 2gj2 s ALA 32 Cb -0.00 0.29 0.02 0.00 0.00 0.00 0.00 23.12 23.43 2gj2 s ALA 32 CO 0.73 -0.53 -0.12 0.08 0.00 0.00 0.00 175.76 175.92 2gj2 s VAL 33 N -2.21 1.42 -0.07 0.00 1.01 -1.26 -0.31 120.40 118.98 2gj2 s VAL 33 Ca -0.05 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.44 2gj2 s VAL 33 Cb -0.00 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 2gj2 s VAL 33 CO 0.00 0.43 -0.23 -0.13 0.00 0.00 0.00 175.10 175.17 2gj2 s ARG 34 N 1.49 2.50 0.28 2.72 0.52 0.05 -4.95 118.95 121.56 2gj2 s ARG 34 Ca 0.04 -0.82 -0.28 0.00 -0.52 0.00 0.00 55.73 54.14 2gj2 s ARG 34 Cb -0.13 -2.06 -0.09 0.00 0.52 0.00 0.00 34.95 33.19 2gj2 s ARG 34 CO -0.09 0.29 0.97 0.21 0.02 0.00 0.00 175.30 176.69 2gj2 s LYS 35 N 0.04 4.70 0.22 3.54 2.20 -1.26 -0.31 119.74 128.87 2gj2 s LYS 35 Ca -0.08 1.47 -0.30 0.00 -0.36 0.00 0.00 55.97 56.70 2gj2 s LYS 35 Cb -0.15 -3.07 -0.08 0.00 -1.51 0.00 0.00 37.83 33.02 2gj2 s LYS 35 CO 0.05 0.37 0.94 0.45 -0.36 0.00 0.00 175.35 176.79 2gj2 s SER 36 N -1.31 7.62 0.00 1.43 0.15 0.52 -4.90 113.70 117.21 2gj2 s SER 36 Ca 0.45 1.91 0.14 0.00 0.70 0.00 0.00 55.95 59.16 2gj2 s SER 36 Cb -0.24 -2.60 0.63 0.00 -1.71 0.00 0.00 66.02 62.10 2gj2 s SER 36 CO 0.30 0.13 1.43 -0.90 1.20 0.00 0.00 173.24 175.40 2gj2 n ASP 37 N 1.68 0.00 0.10 5.45 5.75 -1.26 -2.69 116.55 125.57 2gj2 n ASP 37 Ca -0.02 0.39 0.08 0.00 -0.01 0.00 0.00 54.79 55.23 2gj2 n ASP 37 Cb 0.47 -0.44 -0.01 0.00 -1.03 0.00 0.00 41.12 40.11 2gj2 n ASP 37 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2gj2 h LEU 38 N 0.00 0.00 -7.00 -2.12 4.07 -1.94 -3.48 115.31 104.84 2gj2 h LEU 38 Ca 0.00 0.00 0.21 0.00 0.08 0.00 0.00 57.88 58.17 2gj2 h LEU 38 Cb 0.21 0.00 -0.29 0.00 1.08 0.00 0.00 40.66 41.66 2gj2 h LEU 38 CO 0.00 0.18 0.90 -0.62 -1.08 0.00 0.00 178.44 177.83 2gj2 s ASP 39 N -5.61 -0.06 0.00 -0.43 2.15 -1.10 -5.02 116.67 106.60 2gj2 s ASP 39 Ca -0.00 0.09 0.30 0.00 0.43 0.00 0.00 52.55 53.37 2gj2 s ASP 39 Cb 0.09 0.08 1.46 0.00 -0.30 0.00 0.00 42.92 44.25 2gj2 s ASP 39 CO 0.78 -0.04 2.01 0.47 -0.17 0.00 0.00 175.17 178.22 2gj2 n ASP 40 N 0.96 0.13 -0.29 -0.34 9.92 -1.26 -2.66 116.55 123.00 2gj2 n ASP 40 Ca -0.05 -0.31 0.13 0.00 -0.53 0.00 0.00 54.79 54.03 2gj2 n ASP 40 Cb 0.58 -0.21 0.30 0.00 -0.64 0.00 0.00 41.12 41.16 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 -1.18 0.92 -4.30 -1.24 3.00 -1.26 -4.82 116.66 107.77 2gj2 n ARG 41 Ca 0.15 -0.59 -0.34 0.00 -0.01 0.00 0.00 57.85 57.05 2gj2 n ARG 41 Cb 0.24 -1.49 -0.12 0.00 0.00 0.00 0.00 32.46 31.10 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 -2.49 3.96 -0.04 1.55 1.01 -1.09 -2.45 120.40 120.86 2gj2 s VAL 42 Ca 0.23 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.91 2gj2 s VAL 42 Cb 0.19 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.82 2gj2 s VAL 42 CO 0.53 0.48 -0.11 -0.31 0.00 0.00 0.00 175.10 175.68 2gj2 s TYR 43 N 0.51 1.19 -0.21 5.22 1.51 0.36 -0.35 117.35 125.57 2gj2 s TYR 43 Ca -0.02 -0.33 -0.09 0.00 -1.01 0.00 0.00 57.07 55.62 2gj2 s TYR 43 Cb -0.14 -0.84 -0.04 0.00 -0.11 0.00 0.00 41.96 40.82 2gj2 s TYR 43 CO 0.02 -0.14 0.11 0.00 -1.11 0.00 0.00 175.55 174.44 2gj2 s MET 44 N 0.23 4.02 -0.20 -0.62 0.23 0.58 0.34 119.30 123.88 2gj2 s MET 44 Ca -0.05 -0.31 -0.03 0.00 -1.03 0.00 0.00 55.69 54.27 2gj2 s MET 44 Cb -0.10 -3.38 -0.01 0.00 -1.53 0.00 0.00 34.83 29.80 2gj2 s MET 44 CO 0.01 0.15 -0.05 0.08 -2.03 0.00 0.00 175.02 173.18 2gj2 s VAL 45 N 0.75 3.39 -0.12 5.16 1.01 0.42 -0.77 120.40 130.23 2gj2 s VAL 45 Ca 0.06 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.50 2gj2 s VAL 45 Cb -0.13 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 2gj2 s VAL 45 CO 0.02 0.44 0.02 0.00 0.00 0.00 0.00 175.10 175.58 2gj2 s LEU 47 N -0.50 4.00 0.59 0.00 1.43 -1.26 0.39 118.68 123.32 2gj2 s LEU 47 Ca 0.09 0.27 -0.19 0.00 -1.03 0.00 0.00 54.13 53.27 2gj2 s LEU 47 Cb -0.12 -2.08 -0.05 0.00 0.03 0.00 0.00 46.19 43.97 2gj2 s LEU 47 CO 0.02 0.35 1.09 0.29 0.23 0.00 0.00 176.35 178.33 2gj2 n LYS 48 N 1.74 1.10 -1.69 1.70 5.02 0.28 -4.62 118.16 121.69 2gj2 n LYS 48 Ca -0.17 0.42 -0.44 0.00 -2.02 0.00 0.00 58.31 56.10 2gj2 n LYS 48 Cb 0.54 -2.29 -0.03 0.00 -0.02 0.00 0.00 35.03 33.22 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 -1.08 2.57 0.00 1.97 7.27 -1.26 -1.48 117.38 125.36 2gj2 n GLN 49 Ca 0.13 0.93 0.00 0.00 0.07 0.00 0.00 57.00 58.13 2gj2 n GLN 49 Cb 0.46 -2.77 0.00 0.00 2.41 0.00 0.00 30.24 30.34 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 3.94 3.15 3.78 1.69 0.00 -1.26 -5.02 105.19 111.47 2gj2 n GLY 50 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.86 6.61 -0.19 1.61 0.01 -0.55 -5.05 113.70 115.28 2gj2 s SER 51 Ca 0.00 2.05 0.01 0.00 1.31 0.00 0.00 55.95 59.33 2gj2 s SER 51 Cb 0.00 -2.58 0.03 0.00 0.21 0.00 0.00 66.02 63.68 2gj2 s SER 51 CO 0.00 -0.60 -0.17 -0.89 0.41 0.00 0.00 173.24 172.00 2gj2 s THR 52 N -1.70 1.97 -0.23 1.44 2.01 -1.26 -4.63 115.64 113.24 2gj2 s THR 52 Ca 0.60 -1.04 -0.29 0.00 0.31 0.00 0.00 61.69 61.27 2gj2 s THR 52 Cb -0.22 -1.87 0.00 0.00 0.01 0.00 0.00 72.50 70.42 2gj2 s THR 52 CO 0.27 0.38 1.15 0.12 -0.69 0.00 0.00 174.62 175.85 2gj2 s PHE 53 N 1.29 3.08 -0.04 4.92 5.36 -0.54 -4.91 117.98 127.14 2gj2 s PHE 53 Ca 0.02 1.21 0.05 0.00 -0.96 0.00 0.00 56.93 57.25 2gj2 s PHE 53 Cb -0.15 -3.47 -0.01 0.00 -0.34 0.00 0.00 43.02 39.06 2gj2 s PHE 53 CO -0.11 -1.06 -0.21 0.14 -1.46 0.00 0.00 175.22 172.53 2gj2 s VAL 54 N 3.48 1.69 -0.26 3.12 -7.23 -1.26 -2.65 120.40 117.29 2gj2 s VAL 54 Ca 0.49 -0.87 -0.00 0.00 -1.81 0.00 0.00 61.98 59.79 2gj2 s VAL 54 Cb -0.17 -1.43 0.08 0.00 0.56 0.00 0.00 36.38 35.41 2gj2 s VAL 54 CO 0.12 0.48 0.02 -0.76 -0.31 0.00 0.00 175.10 174.65 2gj2 s LEU 55 N -0.11 2.39 0.19 1.32 1.43 -0.46 -4.99 118.68 118.46 2gj2 s LEU 55 Ca -0.02 -1.35 -0.12 0.00 -1.03 0.00 0.00 54.13 51.62 2gj2 s LEU 55 Cb -0.12 -1.00 0.16 0.00 0.03 0.00 0.00 46.19 45.26 2gj2 s LEU 55 CO 0.02 -0.32 1.82 0.78 0.23 0.00 0.00 176.35 178.88 2gj2 h ASN 56 N 8.02 0.55 0.00 2.29 4.21 -1.88 0.84 115.58 129.62 2gj2 h ASN 56 Ca -0.15 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.38 2gj2 h ASN 56 Cb 1.06 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 38.16 2gj2 h ASN 56 CO 0.43 0.38 0.00 0.61 -1.29 0.00 0.00 177.43 177.55 2gj2 n GLY 57 N -1.27 -0.38 7.00 2.83 0.00 -1.26 -1.46 105.19 110.65 2gj2 n GLY 57 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.20 -0.16 0.29 -0.02 0.00 0.30 -2.22 105.19 103.58 2gj2 n GLY 58 Ca 0.00 -0.95 0.17 0.00 0.00 0.00 0.00 46.02 45.24 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 0.27 -0.60 -0.61 2.04 -1.88 -1.82 117.51 114.91 2gj2 h ILE 59 Ca 0.00 -0.37 -0.07 0.00 1.00 0.00 0.00 64.86 65.42 2gj2 h ILE 59 Cb 0.00 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 2gj2 h ILE 59 CO 0.00 0.05 0.12 -0.33 0.00 0.00 0.00 178.15 177.99 2gj2 h GLU 60 N 0.00 0.98 -0.80 2.37 3.07 -1.92 -0.44 114.58 117.83 2gj2 h GLU 60 Ca -0.00 -0.25 -0.00 0.00 -0.50 0.00 0.00 59.36 58.60 2gj2 h GLU 60 Cb 0.28 -0.12 -0.04 0.00 -0.84 0.00 0.00 28.75 28.03 2gj2 h GLU 60 CO 0.01 0.91 0.49 1.49 -1.40 0.00 0.00 179.01 180.51 2gj2 h GLU 61 N 0.89 1.08 0.00 2.33 4.81 -0.85 -1.59 114.58 121.25 2gj2 h GLU 61 Ca 0.18 -0.09 -0.13 0.00 -0.13 0.00 0.00 59.36 59.20 2gj2 h GLU 61 Cb 0.39 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 2gj2 h GLU 61 CO 0.01 0.75 -0.61 1.25 -0.73 0.00 0.00 179.01 179.68 2gj2 h LEU 62 N 1.10 0.00 -0.39 1.64 5.85 -1.43 -1.16 115.31 120.92 2gj2 h LEU 62 Ca 0.29 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.90 2gj2 h LEU 62 Cb -0.06 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 2gj2 h LEU 62 CO -0.06 0.61 -0.16 0.03 -0.34 0.00 0.00 178.44 178.52 2gj2 h ARG 63 N 0.00 0.80 0.54 1.25 3.08 -0.34 -1.57 114.38 118.14 2gj2 h ARG 63 Ca -0.01 -0.34 -0.03 0.00 0.07 0.00 0.00 59.98 59.68 2gj2 h ARG 63 Cb 1.17 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 31.19 2gj2 h ARG 63 CO 0.08 0.96 -0.26 -0.07 -1.07 0.00 0.00 179.97 179.61 2gj2 h LEU 64 N 0.61 -0.62 -0.82 3.04 3.38 -1.17 0.14 115.31 119.88 2gj2 h LEU 64 Ca 0.09 -0.03 0.17 0.00 0.09 0.00 0.00 57.88 58.21 2gj2 h LEU 64 Cb 0.71 0.16 -0.11 0.00 0.09 0.00 0.00 40.66 41.51 2gj2 h LEU 64 CO 0.05 -0.35 0.33 -0.07 0.09 0.00 0.00 178.44 178.49 2gj2 h LEU 65 N -0.85 0.28 -0.22 1.67 3.38 -1.20 -1.22 115.31 117.14 2gj2 h LEU 65 Ca -0.07 0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2gj2 h LEU 65 Cb 0.61 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2gj2 h LEU 65 CO 0.12 0.06 -0.20 0.00 0.09 0.00 0.00 178.44 178.51 2gj2 h THR 66 N 0.42 0.36 -1.08 0.22 1.03 -1.21 -3.47 112.91 109.17 2gj2 h THR 66 Ca 0.47 -1.41 -0.11 0.00 -0.01 0.00 0.00 66.41 65.35 2gj2 h THR 66 Cb 0.80 2.09 0.00 0.00 -1.07 0.00 0.00 68.15 69.97 2gj2 h THR 66 CO -0.47 0.20 -0.15 0.61 -0.01 0.00 0.00 175.52 175.70 2gj2 n GLY 67 N 0.97 0.21 2.58 2.99 0.00 -0.06 -4.62 105.19 107.26 2gj2 n GLY 67 Ca 0.03 -0.61 -0.27 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.81 2.83 0.21 1.61 -1.08 -0.59 -4.95 116.67 111.89 2gj2 s ASP 68 Ca 0.03 -0.89 0.23 0.00 -0.52 0.00 0.00 52.55 51.40 2gj2 s ASP 68 Cb -0.01 -0.29 0.92 0.00 -1.46 0.00 0.00 42.92 42.07 2gj2 s ASP 68 CO 0.04 -0.39 1.70 -1.54 0.52 0.00 0.00 175.17 175.50 2gj2 n SER 69 N 5.26 0.59 -1.00 -0.34 3.41 -1.26 -2.69 113.62 117.60 2gj2 n SER 69 Ca -0.07 0.62 0.12 0.00 -0.26 0.00 0.00 58.87 59.28 2gj2 n SER 69 Cb 0.46 -0.76 0.24 0.00 -0.26 0.00 0.00 64.21 63.89 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 -2.13 0.36 -1.71 6.66 -2.24 -1.26 -4.98 114.28 108.99 2gj2 n THR 70 Ca 0.03 -0.62 -0.43 0.00 -2.27 0.00 0.00 64.05 60.76 2gj2 n THR 70 Cb 0.26 0.93 -0.03 0.00 -2.10 0.00 0.00 70.33 69.39 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 1.22 3.79 -4.10 3.22 -0.00 -1.09 -4.61 117.00 115.43 2gj2 n LEU 71 Ca 0.18 1.10 -0.18 0.00 -0.00 0.00 0.00 56.01 57.11 2gj2 n LEU 71 Cb 0.55 -1.53 -0.13 0.00 -0.00 0.00 0.00 43.42 42.31 2gj2 n LEU 71 CO 0.15 -0.01 -0.44 -1.61 -0.00 0.00 0.00 177.39 175.48 2gj2 s GLU 72 N 0.48 0.79 0.11 1.96 2.02 0.49 -4.97 118.70 119.58 2gj2 s GLU 72 Ca 0.72 -0.66 0.09 0.00 0.02 0.00 0.00 54.97 55.14 2gj2 s GLU 72 Cb -0.56 -0.75 -0.04 0.00 0.10 0.00 0.00 34.13 32.88 2gj2 s GLU 72 CO 0.40 0.18 -0.18 -1.50 0.02 0.00 0.00 175.26 174.19 2gj2 s ILE 73 N -0.80 2.86 -0.29 -1.63 2.07 -1.26 -0.65 121.20 121.50 2gj2 s ILE 73 Ca -0.00 -1.49 -0.04 0.00 -1.41 0.00 0.00 60.65 57.71 2gj2 s ILE 73 Cb -0.07 -2.31 0.10 0.00 0.13 0.00 0.00 42.46 40.31 2gj2 s ILE 73 CO 0.01 0.11 0.13 -1.58 -1.91 0.00 0.00 174.94 171.70 2gj2 s GLN 74 N -2.12 0.19 0.71 3.50 2.00 -0.51 -4.96 119.66 118.47 2gj2 s GLN 74 Ca 0.18 -0.50 -0.15 0.00 -2.00 0.00 0.00 55.36 52.89 2gj2 s GLN 74 Cb -0.11 -1.17 0.03 0.00 0.80 0.00 0.00 33.01 32.57 2gj2 s GLN 74 CO 0.10 -1.01 1.18 -2.14 -0.50 0.00 0.00 175.29 172.93 2gj2 s PRO 75 N 2.11 2.30 -0.78 1.67 0.02 -1.26 -1.44 135.00 137.62 2gj2 s PRO 75 Ca 0.09 1.68 0.02 0.00 0.02 0.00 0.00 61.00 62.81 2gj2 s PRO 75 Cb -0.16 -1.86 0.19 0.00 0.02 0.00 0.00 34.50 32.69 2gj2 s PRO 75 CO -0.36 -1.69 0.61 -1.64 -0.33 0.00 0.00 177.00 173.58 2gj2 s MET 76 N -3.94 2.78 0.18 5.54 -1.94 -0.67 -4.88 119.30 116.36 2gj2 s MET 76 Ca 0.73 -3.32 -0.31 0.00 -1.71 0.00 0.00 55.69 51.08 2gj2 s MET 76 Cb -0.27 -3.64 -0.09 0.00 2.01 0.00 0.00 34.83 32.84 2gj2 s MET 76 CO 0.44 -1.28 1.40 0.42 -0.01 0.00 0.00 175.02 176.00 2gj2 s ILE 77 N -1.41 3.04 0.02 2.53 1.01 -1.26 -4.54 121.20 120.58 2gj2 s ILE 77 Ca 0.26 0.80 0.06 0.00 0.00 0.00 0.00 60.65 61.77 2gj2 s ILE 77 Cb -0.06 -3.51 -0.02 0.00 0.01 0.00 0.00 42.46 38.88 2gj2 s ILE 77 CO -0.15 0.09 -0.19 -0.69 0.00 0.00 0.00 174.94 174.00 2gj2 s VAL 78 N 0.58 1.55 0.11 2.92 1.01 -1.26 -5.11 120.40 120.19 2gj2 s VAL 78 Ca 0.62 -1.00 -0.33 0.00 0.00 0.00 0.00 61.98 61.26 2gj2 s VAL 78 Cb -0.39 -1.32 -0.13 0.00 0.00 0.00 0.00 36.38 34.54 2gj2 s VAL 78 CO 0.36 0.30 1.68 -2.65 0.00 0.00 0.00 175.10 174.78 2gj2 n PRO 79 N 2.21 2.27 -0.15 2.72 -0.02 -1.26 -5.11 135.00 135.68 2gj2 n PRO 79 Ca -0.16 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 2gj2 n PRO 79 Cb 0.53 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 2gj2 n PRO 79 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89