#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jgk s LYS 2 N 0.00 1.80 -0.16 0.03 1.02 -1.26 -4.49 119.74 116.68 1jgk s LYS 2 Ca 0.00 -2.07 -0.01 0.00 0.02 0.00 0.00 55.97 53.91 1jgk s LYS 2 Cb 0.00 -0.34 0.04 0.00 -0.52 0.00 0.00 37.83 37.01 1jgk s LYS 2 CO 0.00 -0.48 -0.03 0.00 -0.92 0.00 0.00 175.35 173.92 1jgk s LYS 4 N 1.73 4.57 0.03 0.00 0.00 -1.20 -0.75 119.74 124.12 1jgk s LYS 4 Ca 0.01 1.31 0.08 0.00 0.00 0.00 0.00 55.97 57.38 1jgk s LYS 4 Cb -0.15 -3.43 -0.03 0.00 0.00 0.00 0.00 37.83 34.22 1jgk s LYS 4 CO -0.07 0.07 -0.24 0.42 0.00 0.00 0.00 175.35 175.53 1jgk s ILE 5 N 0.60 2.35 0.00 3.79 -1.09 0.12 -4.88 121.20 122.09 1jgk s ILE 5 Ca 0.47 -1.26 0.00 0.00 -2.23 0.00 0.00 60.65 57.63 1jgk s ILE 5 Cb -0.21 -1.92 0.00 0.00 -1.58 0.00 0.00 42.46 38.75 1jgk s ILE 5 CO 0.27 0.40 0.00 0.00 -1.23 0.00 0.00 174.94 174.38 1jgk n ASN 7 N 0.00 2.53 -4.66 0.00 4.13 -1.26 -4.78 115.26 111.21 1jgk n ASN 7 Ca 0.00 0.67 -0.33 0.00 1.68 0.00 0.00 54.58 56.60 1jgk n ASN 7 Cb 0.00 -1.27 0.14 0.00 -1.54 0.00 0.00 39.78 37.11 1jgk n ASN 7 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1jgk n PHE 8 N 8.28 0.95 -0.81 3.10 3.72 -1.26 -1.18 117.46 130.25 1jgk n PHE 8 Ca 0.34 0.39 0.00 0.00 -0.05 0.00 0.00 57.45 58.13 1jgk n PHE 8 Cb 0.23 -2.05 0.00 0.00 -0.94 0.00 0.00 39.48 36.72 1jgk n PHE 8 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1jgk n ASP 9 N -3.41 -0.25 0.00 4.37 -0.08 -1.26 -4.61 116.55 111.31 1jgk n ASP 9 Ca 0.13 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.41 1jgk n ASP 9 Cb 0.51 -1.07 0.00 0.00 2.34 0.00 0.00 41.12 42.90 1jgk n ASP 9 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 1jgk n THR 10 N -2.03 0.00 0.00 5.18 5.66 -0.95 -5.13 114.28 117.01 1jgk n THR 10 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1jgk n THR 10 Cb 0.01 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.79 1jgk n THR 10 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jgk n ARG 12 N 0.00 3.45 -0.68 0.00 1.74 -1.26 -4.45 116.66 115.45 1jgk n ARG 12 Ca 0.00 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 1jgk n ARG 12 Cb 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.39 1jgk n ARG 12 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jgk n ALA 13 N -3.00 2.61 0.12 7.54 0.00 -1.26 -4.33 120.51 122.19 1jgk n ALA 13 Ca 0.00 -2.24 -0.24 0.00 0.00 0.00 0.00 53.44 50.96 1jgk n ALA 13 Cb 0.00 -3.30 -0.15 0.00 0.00 0.00 0.00 19.45 16.00 1jgk n ALA 13 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1jgk h GLY 14 N 12.82 0.65 -6.84 0.00 0.00 -1.86 -3.41 103.07 104.44 1jgk h GLY 14 Ca 0.32 -1.52 -0.61 0.00 0.00 0.00 0.00 47.33 45.53 1jgk h GLY 14 CO 1.69 1.33 -0.77 -0.54 0.00 0.00 0.00 176.54 178.25 1jgk s GLU 15 N -2.77 1.38 -0.11 4.80 2.02 -0.23 -4.96 118.70 118.82 1jgk s GLU 15 Ca -0.09 -2.24 -0.06 0.00 0.02 0.00 0.00 54.97 52.60 1jgk s GLU 15 Cb 0.05 -2.27 -0.04 0.00 0.10 0.00 0.00 34.13 31.97 1jgk s GLU 15 CO 0.94 -1.24 0.11 -1.17 0.02 0.00 0.00 175.26 173.92 1jgk s LEU 16 N -0.01 4.22 0.00 1.80 0.20 -1.26 0.14 118.68 123.77 1jgk s LEU 16 Ca 0.22 0.40 0.00 0.00 0.69 0.00 0.00 54.13 55.44 1jgk s LEU 16 Cb -0.14 -2.03 0.00 0.00 -0.43 0.00 0.00 46.19 43.59 1jgk s LEU 16 CO -0.07 0.40 0.00 1.17 -0.29 0.00 0.00 176.35 177.56 1jgk n LYS 17 N 1.99 0.00 -4.36 1.98 3.00 0.07 -4.88 118.16 115.96 1jgk n LYS 17 Ca -0.20 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 57.92 1jgk n LYS 17 Cb 0.55 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 35.44 1jgk n LYS 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1jgk s VAL 18 N 1.87 0.94 -0.29 3.15 -7.23 -1.26 -0.59 120.40 117.00 1jgk s VAL 18 Ca 0.00 -0.78 0.03 0.00 -1.81 0.00 0.00 61.98 59.42 1jgk s VAL 18 Cb 0.00 -0.84 0.13 0.00 0.56 0.00 0.00 36.38 36.23 1jgk s VAL 18 CO 0.00 0.06 1.06 0.00 -0.31 0.00 0.00 175.10 175.91 1jgk n ALA 20 N -0.53 1.89 0.06 0.00 0.00 -1.19 -4.20 120.51 116.54 1jgk n ALA 20 Ca -0.19 -1.27 -0.06 0.00 0.00 0.00 0.00 53.44 51.93 1jgk n ALA 20 Cb 0.68 -0.36 -0.03 0.00 0.00 0.00 0.00 19.45 19.74 1jgk n ALA 20 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1jgk h SER 21 N 0.00 -0.51 0.00 0.00 0.02 -1.91 -3.47 113.55 107.67 1jgk h SER 21 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1jgk h SER 21 Cb 1.19 0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.91 1jgk h SER 21 CO 0.00 -0.20 0.00 0.61 -1.14 0.00 0.00 176.83 176.10 1jgk n GLY 22 N -1.17 -1.65 2.43 -3.77 0.00 -1.26 -4.95 105.19 94.82 1jgk n GLY 22 Ca -0.03 0.42 -0.27 0.00 0.00 0.00 0.00 46.02 46.13 1jgk n GLY 22 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jgk n GLU 23 N -2.20 2.36 -3.85 1.61 4.71 -1.26 -4.86 120.64 117.14 1jgk n GLU 23 Ca 0.00 -2.41 -0.26 0.00 -0.01 0.00 0.00 57.16 54.48 1jgk n GLU 23 Cb 0.00 -2.08 -0.17 0.00 -1.01 0.00 0.00 31.44 28.18 1jgk n GLU 23 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 1jgk s LYS 24 N -2.14 1.19 -0.07 3.49 1.02 -1.26 -4.58 119.74 117.39 1jgk s LYS 24 Ca 0.54 -0.18 0.04 0.00 0.02 0.00 0.00 55.97 56.38 1jgk s LYS 24 Cb 0.37 -1.48 0.00 0.00 -0.52 0.00 0.00 37.83 36.21 1jgk s LYS 24 CO -0.20 -0.32 -0.20 0.71 -0.92 0.00 0.00 175.35 174.43 1jgk s TYR 25 N 1.79 2.07 -0.34 3.18 1.51 -0.19 -4.36 117.35 121.00 1jgk s TYR 25 Ca 0.04 -0.75 -0.29 0.00 -1.01 0.00 0.00 57.07 55.06 1jgk s TYR 25 Cb -0.13 -1.41 0.01 0.00 -0.11 0.00 0.00 41.96 40.32 1jgk s TYR 25 CO -0.07 -0.30 1.25 0.00 -1.11 0.00 0.00 175.55 175.31 1jgk s PHE 27 N 4.35 3.47 -0.26 0.00 -0.12 -0.01 -1.01 117.98 124.38 1jgk s PHE 27 Ca 0.54 0.42 -0.09 0.00 -0.05 0.00 0.00 56.93 57.75 1jgk s PHE 27 Cb -0.14 -2.12 -0.04 0.00 -0.63 0.00 0.00 43.02 40.09 1jgk s PHE 27 CO 0.24 0.41 0.12 0.21 -0.05 0.00 0.00 175.22 176.15 1jgk s LYS 28 N -0.03 3.77 -0.61 1.99 2.20 0.34 -1.74 119.74 125.66 1jgk s LYS 28 Ca 0.11 -0.42 -0.13 0.00 -0.36 0.00 0.00 55.97 55.18 1jgk s LYS 28 Cb -0.12 -3.48 0.16 0.00 -1.51 0.00 0.00 37.83 32.88 1jgk s LYS 28 CO 0.00 -0.19 0.54 -1.21 -0.36 0.00 0.00 175.35 174.13 1jgk s GLU 29 N 1.68 3.01 -0.65 4.03 2.02 0.82 -0.63 118.70 128.98 1jgk s GLU 29 Ca 0.07 -2.00 -0.26 0.00 0.02 0.00 0.00 54.97 52.79 1jgk s GLU 29 Cb -0.16 -4.20 0.04 0.00 0.10 0.00 0.00 34.13 29.91 1jgk s GLU 29 CO 0.07 -1.27 1.13 -1.54 0.02 0.00 0.00 175.26 173.66 1jgk s SER 30 N 2.74 6.26 -0.25 -0.19 1.04 0.51 -0.35 113.70 123.45 1jgk s SER 30 Ca 0.09 -0.43 -0.27 0.00 0.48 0.00 0.00 55.95 55.82 1jgk s SER 30 Cb -0.23 -2.50 0.01 0.00 0.10 0.00 0.00 66.02 63.39 1jgk s SER 30 CO -0.02 -1.56 0.96 0.26 0.98 0.00 0.00 173.24 173.86 1jgk s TRP 31 N 4.87 3.29 -0.01 5.02 0.51 0.16 -1.27 118.94 131.51 1jgk s TRP 31 Ca 0.33 1.27 -0.03 0.00 -2.12 0.00 0.00 56.10 55.55 1jgk s TRP 31 Cb -0.11 -3.25 -0.04 0.00 -0.81 0.00 0.00 33.47 29.26 1jgk s TRP 31 CO 0.17 -0.50 0.18 0.50 -0.51 0.00 0.00 176.95 176.79 1jgk s ARG 32 N 3.13 3.44 0.25 4.98 3.52 -1.26 -1.26 118.95 131.75 1jgk s ARG 32 Ca 0.40 -0.32 -0.06 0.00 -0.13 0.00 0.00 55.73 55.62 1jgk s ARG 32 Cb -0.15 -3.10 -0.02 0.00 -1.56 0.00 0.00 34.95 30.13 1jgk s ARG 32 CO 0.08 0.67 0.34 -2.00 -0.81 0.00 0.00 175.30 173.59 1jgk s GLU 33 N -1.94 1.50 0.00 5.12 2.12 -0.51 -4.75 118.70 120.24 1jgk s GLU 33 Ca 0.27 -1.52 0.27 0.00 0.36 0.00 0.00 54.97 54.36 1jgk s GLU 33 Cb -0.13 0.39 0.88 0.00 0.26 0.00 0.00 34.13 35.54 1jgk s GLU 33 CO 0.19 -0.58 1.67 0.00 -0.54 0.00 0.00 175.26 176.00 1jgk n ALA 34 N -0.39 2.98 -0.01 6.30 0.00 -1.26 -3.84 120.51 124.29 1jgk n ALA 34 Ca 0.01 -0.25 0.04 0.00 0.00 0.00 0.00 53.44 53.23 1jgk n ALA 34 Cb 0.63 -1.28 -0.07 0.00 0.00 0.00 0.00 19.45 18.74 1jgk n ALA 34 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1jgk n ARG 35 N -1.38 0.52 -3.13 0.00 3.00 -1.26 -5.09 116.66 109.31 1jgk n ARG 35 Ca 0.08 -0.07 0.02 0.00 -0.00 0.00 0.00 57.85 57.87 1jgk n ARG 35 Cb 0.33 -1.21 0.01 0.00 0.00 0.00 0.00 32.46 31.58 1jgk n ARG 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1jgk n GLY 36 N 2.05 0.34 3.05 5.14 0.00 -1.25 -5.17 105.19 109.35 1jgk n GLY 36 Ca -0.03 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.92 1jgk n GLY 36 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jgk s THR 37 N -2.06 0.03 -0.04 2.61 2.01 -1.26 -1.42 115.64 115.51 1jgk s THR 37 Ca 0.18 -0.23 -0.02 0.00 0.31 0.00 0.00 61.69 61.93 1jgk s THR 37 Cb -0.00 -0.28 0.02 0.00 0.01 0.00 0.00 72.50 72.25 1jgk s THR 37 CO -0.01 -0.12 0.09 -0.13 -0.69 0.00 0.00 174.62 173.75 1jgk s ARG 38 N -0.39 0.07 -0.05 4.92 1.81 -0.39 -4.99 118.95 119.93 1jgk s ARG 38 Ca -0.05 0.19 -0.02 0.00 -1.72 0.00 0.00 55.73 54.13 1jgk s ARG 38 Cb -0.03 -0.07 -0.04 0.00 -0.45 0.00 0.00 34.95 34.37 1jgk s ARG 38 CO 0.01 -0.08 0.06 0.42 -0.68 0.00 0.00 175.30 175.03 1jgk s ILE 39 N 0.52 4.70 -0.19 1.52 1.01 -1.26 0.35 121.20 127.85 1jgk s ILE 39 Ca -0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 60.65 60.33 1jgk s ILE 39 Cb -0.06 -3.07 0.06 0.00 0.01 0.00 0.00 42.46 39.40 1jgk s ILE 39 CO -0.02 0.49 0.02 -1.61 0.00 0.00 0.00 174.94 173.82 1jgk s GLU 40 N -1.31 0.75 0.47 2.79 0.41 0.52 -4.44 118.70 117.89 1jgk s GLU 40 Ca 0.18 -0.42 -0.03 0.00 -0.41 0.00 0.00 54.97 54.29 1jgk s GLU 40 Cb -0.12 -2.06 0.10 0.00 -1.78 0.00 0.00 34.13 30.28 1jgk s GLU 40 CO 0.08 -0.60 0.65 0.54 -0.49 0.00 0.00 175.26 175.43 1jgk n ARG 41 N 5.02 -0.06 0.00 1.61 1.74 -1.26 -0.12 116.66 123.59 1jgk n ARG 41 Ca -0.09 -1.53 0.00 0.00 -0.77 0.00 0.00 57.85 55.46 1jgk n ARG 41 Cb 0.47 -0.50 0.00 0.00 -1.02 0.00 0.00 32.46 31.41 1jgk n ARG 41 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jgk n GLY 42 N 0.25 -0.31 3.24 -0.13 0.00 -0.71 -4.87 105.19 102.67 1jgk n GLY 42 Ca 0.10 -1.11 -0.34 0.00 0.00 0.00 0.00 46.02 44.66 1jgk n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jgk s ALA 44 N 1.34 -0.72 0.00 0.00 0.00 -0.58 -4.94 121.76 116.87 1jgk s ALA 44 Ca 0.04 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1jgk s ALA 44 Cb -0.14 0.68 0.00 0.00 0.00 0.00 0.00 23.12 23.66 1jgk s ALA 44 CO -0.06 -0.98 0.32 0.00 0.00 0.00 0.00 175.76 175.03 1jgk n ALA 45 N -0.53 0.96 0.12 0.00 0.00 -1.26 -1.03 120.51 118.77 1jgk n ALA 45 Ca -0.08 -0.32 -0.19 0.00 0.00 0.00 0.00 53.44 52.85 1jgk n ALA 45 Cb 0.60 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.90 1jgk n ALA 45 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1jgk h THR 46 N 1.10 1.42 -6.34 0.00 2.02 -1.95 -3.49 112.91 105.67 1jgk h THR 46 Ca 0.00 -2.93 -0.34 0.00 0.77 0.00 0.00 66.41 63.91 1jgk h THR 46 Cb 0.49 2.98 0.01 0.00 -1.74 0.00 0.00 68.15 69.90 1jgk h THR 46 CO 0.00 0.86 -0.97 0.00 0.37 0.00 0.00 175.52 175.79 1jgk n PRO 48 N -1.18 -0.68 -1.72 0.00 -0.04 -1.26 -5.08 135.00 125.03 1jgk n PRO 48 Ca -0.13 -0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.16 1jgk n PRO 48 Cb 0.64 -0.13 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 1jgk n PRO 48 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1jgk n LYS 49 N -1.54 1.93 0.00 0.54 -0.00 -1.26 -4.85 118.16 112.98 1jgk n LYS 49 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 1jgk n LYS 49 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.08 1jgk n LYS 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1jgk n GLY 50 N 5.00 2.11 3.25 2.58 0.00 -1.26 -4.85 105.19 112.01 1jgk n GLY 50 Ca 0.00 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.28 1jgk n GLY 50 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jgk s SER 51 N 2.00 1.04 0.58 1.61 0.01 -1.26 -4.87 113.70 112.81 1jgk s SER 51 Ca 0.00 -1.25 0.31 0.00 1.31 0.00 0.00 55.95 56.32 1jgk s SER 51 Cb 0.00 0.17 1.42 0.00 0.21 0.00 0.00 66.02 67.82 1jgk s SER 51 CO 0.00 -0.65 1.79 -0.37 0.41 0.00 0.00 173.24 174.42 1jgk h VAL 52 N 2.63 0.34 0.00 3.43 -1.51 -2.02 -0.32 116.25 118.79 1jgk h VAL 52 Ca -0.37 0.00 -0.08 0.00 -1.23 0.00 0.00 66.70 65.02 1jgk h VAL 52 Cb 1.22 0.47 -0.18 0.00 -2.13 0.00 0.00 31.29 30.66 1jgk h VAL 52 CO 0.61 0.00 -0.72 0.00 -1.23 0.00 0.00 177.57 176.23 1jgk n TYR 53 N -3.82 0.00 0.00 5.19 0.18 -1.26 -4.89 117.16 112.56 1jgk n TYR 53 Ca 0.16 -0.93 0.00 0.00 1.88 0.00 0.00 57.90 59.01 1jgk n TYR 53 Cb 0.97 -0.19 0.00 0.00 -0.38 0.00 0.00 39.34 39.75 1jgk n TYR 53 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1jgk n GLY 54 N -0.33 -0.19 3.50 -7.48 0.00 -0.13 -4.71 105.19 95.85 1jgk n GLY 54 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.14 1jgk n GLY 54 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1jgk s LEU 55 N -4.27 -1.21 -0.87 0.99 2.34 -1.24 -4.38 118.68 110.04 1jgk s LEU 55 Ca 0.00 1.36 -0.25 0.00 0.06 0.00 0.00 54.13 55.30 1jgk s LEU 55 Cb 0.00 2.25 0.04 0.00 -0.56 0.00 0.00 46.19 47.92 1jgk s LEU 55 CO 0.00 -0.23 1.38 -0.47 -1.06 0.00 0.00 176.35 175.97 1jgk s TYR 56 N 2.88 2.38 -0.25 3.48 5.04 -0.40 -4.26 117.35 126.24 1jgk s TYR 56 Ca 0.02 -0.40 -0.19 0.00 -2.44 0.00 0.00 57.07 54.05 1jgk s TYR 56 Cb -0.13 -4.65 -0.02 0.00 0.35 0.00 0.00 41.96 37.51 1jgk s TYR 56 CO -0.20 -2.01 0.59 0.08 -1.34 0.00 0.00 175.55 172.67 1jgk s VAL 57 N 5.48 5.02 -0.31 3.14 1.01 -1.24 -0.36 120.40 133.15 1jgk s VAL 57 Ca 0.41 1.05 0.01 0.00 0.00 0.00 0.00 61.98 63.45 1jgk s VAL 57 Cb -0.04 -3.90 0.09 0.00 0.00 0.00 0.00 36.38 32.53 1jgk s VAL 57 CO 0.03 0.07 0.05 -0.22 0.00 0.00 0.00 175.10 175.03 1jgk s LEU 58 N 2.30 3.30 -0.04 3.92 2.96 0.20 -4.86 118.68 126.46 1jgk s LEU 58 Ca 0.25 -1.76 -0.23 0.00 -0.22 0.00 0.00 54.13 52.17 1jgk s LEU 58 Cb -0.16 -1.22 -0.04 0.00 0.50 0.00 0.00 46.19 45.27 1jgk s LEU 58 CO 0.09 -0.37 0.68 0.00 -1.32 0.00 0.00 176.35 175.43 1jgk s THR 61 N -3.54 0.00 0.06 0.00 -4.23 -1.25 -0.19 115.64 106.49 1jgk s THR 61 Ca 0.32 -1.27 0.00 0.00 -1.18 0.00 0.00 61.69 59.56 1jgk s THR 61 Cb 0.02 -2.70 0.00 0.00 1.34 0.00 0.00 72.50 71.15 1jgk s THR 61 CO 0.17 0.00 0.00 0.41 -0.54 0.00 0.00 174.62 174.66 1jgk n THR 62 N -0.53-12.29 -1.68 3.99 -1.04 -1.26 -4.50 114.28 96.97 1jgk n THR 62 Ca -0.04 2.96 0.00 0.00 -2.04 0.00 0.00 64.05 64.93 1jgk n THR 62 Cb 0.61 -5.55 0.00 0.00 -1.82 0.00 0.00 70.33 63.56 1jgk n THR 62 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1jgk n ASP 63 N 1.89 -8.74 0.00 8.00 2.03 -1.26 -4.31 116.55 114.16 1jgk n ASP 63 Ca 0.00 1.22 0.00 0.00 0.52 0.00 0.00 54.79 56.53 1jgk n ASP 63 Cb 0.00 -4.48 0.00 0.00 -0.72 0.00 0.00 41.12 35.92 1jgk n ASP 63 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1jgk n ASP 64 N 0.35 0.00 -0.86 1.67 9.92 -1.26 -3.36 116.55 123.01 1jgk n ASP 64 Ca 0.00 0.00 0.03 0.00 -0.53 0.00 0.00 54.79 54.29 1jgk n ASP 64 Cb 0.00 0.00 0.13 0.00 -0.64 0.00 0.00 41.12 40.61 1jgk n ASP 64 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33