#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 0.58 -0.14 0.03 1.02 -1.26 -4.32 119.74 115.66 1jgk s LYS 2 Ca 0.00 -1.08 0.01 0.00 0.02 0.00 0.00 55.97 54.92 1jgk s LYS 2 Cb 0.00 0.09 0.02 0.00 -0.52 0.00 0.00 37.83 37.42 1jgk s LYS 2 CO 0.00 -0.07 -0.14 0.00 -0.92 0.00 0.00 175.35 174.21 1jgk s LYS 4 N 1.33 4.09 -0.12 0.00 2.20 -1.15 -1.03 119.74 125.06 1jgk s LYS 4 Ca 0.01 1.18 -0.10 0.00 -0.36 0.00 0.00 55.97 56.71 1jgk s LYS 4 Cb -0.13 -3.74 -0.05 0.00 -1.51 0.00 0.00 37.83 32.40 1jgk s LYS 4 CO -0.08 -0.87 0.20 0.42 -0.36 0.00 0.00 175.35 174.66 1jgk s ILE 5 N 3.66 5.39 0.01 5.43 -1.09 0.11 -4.84 121.20 129.88 1jgk s ILE 5 Ca 0.47 0.35 -0.28 0.00 -2.23 0.00 0.00 60.65 58.95 1jgk s ILE 5 Cb -0.14 -3.49 0.07 0.00 -1.58 0.00 0.00 42.46 37.32 1jgk s ILE 5 CO 0.15 0.55 0.68 0.00 -1.23 0.00 0.00 174.94 175.08 1jgk n ASN 7 N 0.44 1.33 -2.21 0.00 6.94 -1.10 -4.66 115.26 116.01 1jgk n ASN 7 Ca -0.18 0.00 -0.06 0.00 -0.02 0.00 0.00 54.58 54.32 1jgk n ASN 7 Cb 0.60 0.00 0.03 0.00 -2.36 0.00 0.00 39.78 38.05 1jgk n ASN 7 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 1jgk n PHE 8 N 0.00 -1.01 -1.22 -2.53 -0.00 -1.26 -3.15 117.46 108.29 1jgk n PHE 8 Ca 0.00 0.35 -0.10 0.00 -0.00 0.00 0.00 57.45 57.70 1jgk n PHE 8 Cb 0.00 -3.17 -0.04 0.00 -0.00 0.00 0.00 39.48 36.27 1jgk n PHE 8 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1jgk n ASP 9 N -2.20 -4.32 0.00 -2.13 9.92 -1.26 -4.79 116.55 111.77 1jgk n ASP 9 Ca -0.03 0.26 0.00 0.00 -0.53 0.00 0.00 54.79 54.49 1jgk n ASP 9 Cb 0.55 -3.46 0.00 0.00 -0.64 0.00 0.00 41.12 37.57 1jgk n ASP 9 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1jgk n THR 10 N -1.87 0.00 -1.92 -3.53 5.66 -1.19 -5.02 114.28 106.41 1jgk n THR 10 Ca -0.10 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.57 1jgk n THR 10 Cb 0.47 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 69.29 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 -0.66 0.60 -2.40 0.00 5.12 -1.26 -4.81 116.66 113.25 1jgk n ARG 12 Ca 0.51 0.02 -0.25 0.00 -1.93 0.00 0.00 57.85 56.19 1jgk n ARG 12 Cb 0.60 -1.50 0.14 0.00 -1.16 0.00 0.00 32.46 30.53 1jgk n ARG 12 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1jgk s ALA 13 N -2.33 3.28 -0.30 7.54 0.00 -1.26 -5.02 121.76 123.67 1jgk s ALA 13 Ca 0.33 -1.63 0.18 0.00 0.00 0.00 0.00 51.96 50.84 1jgk s ALA 13 Cb 0.19 -2.21 0.46 0.00 0.00 0.00 0.00 23.12 21.56 1jgk s ALA 13 CO 0.37 -1.80 1.32 0.41 0.00 0.00 0.00 175.76 176.07 1jgk n GLY 14 N -3.13 1.90 2.76 0.00 0.00 -1.23 -4.75 105.19 100.74 1jgk n GLY 14 Ca 0.16 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 1jgk n GLY 14 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jgk n GLU 15 N -1.05 2.97 -3.13 1.61 1.02 0.19 -4.79 120.64 117.47 1jgk n GLU 15 Ca -0.05 -2.75 -0.37 0.00 -0.02 0.00 0.00 57.16 53.97 1jgk n GLU 15 Cb 0.84 -3.24 -0.06 0.00 -0.02 0.00 0.00 31.44 28.96 1jgk n GLU 15 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1jgk s LEU 16 N 1.86 4.45 0.00 -4.62 0.20 -1.26 -0.71 118.68 118.60 1jgk s LEU 16 Ca 0.46 1.42 0.00 0.00 0.69 0.00 0.00 54.13 56.70 1jgk s LEU 16 Cb 0.13 -3.34 0.00 0.00 -0.43 0.00 0.00 46.19 42.55 1jgk s LEU 16 CO -0.07 0.14 0.00 0.29 -0.29 0.00 0.00 176.35 176.41 1jgk n LYS 17 N 1.16 0.00 -4.43 1.98 5.02 -0.20 -4.89 118.16 116.80 1jgk n LYS 17 Ca -0.05 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.98 1jgk n LYS 17 Cb 0.50 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.38 1jgk n LYS 17 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1jgk s VAL 18 N 1.35 1.90 0.03 -0.18 -7.23 -1.26 -0.82 120.40 114.19 1jgk s VAL 18 Ca 0.00 -1.53 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 1jgk s VAL 18 Cb 0.00 -1.69 0.00 0.00 0.56 0.00 0.00 36.38 35.25 1jgk s VAL 18 CO 0.00 0.07 0.00 0.00 -0.31 0.00 0.00 175.10 174.86 1jgk n ALA 20 N -2.59 0.78 -1.57 0.00 0.00 -1.09 -4.09 120.51 111.95 1jgk n ALA 20 Ca 0.00 -2.52 0.00 0.00 0.00 0.00 0.00 53.44 50.92 1jgk n ALA 20 Cb 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 19.45 16.03 1jgk n ALA 20 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1jgk n SER 21 N 17.45 0.00 0.00 0.00 7.64 -1.26 -4.93 113.62 132.52 1jgk n SER 21 Ca 0.43 -1.21 0.00 0.00 1.01 0.00 0.00 58.87 59.10 1jgk n SER 21 Cb 0.46 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 1jgk n SER 21 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jgk n GLY 22 N 0.00 -1.78 3.42 0.23 0.00 -1.26 -4.98 105.19 100.81 1jgk n GLY 22 Ca 0.00 0.69 -0.19 0.00 0.00 0.00 0.00 46.02 46.53 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 0.00 -3.39 -3.41 1.61 1.02 -1.26 -5.00 120.64 110.22 1jgk n GLU 23 Ca 0.00 0.77 -0.17 0.00 -0.02 0.00 0.00 57.16 57.74 1jgk n GLU 23 Cb 0.00 -5.49 -0.10 0.00 -0.02 0.00 0.00 31.44 25.83 1jgk n GLU 23 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1jgk s LYS 24 N -5.06 0.31 -0.07 3.49 1.02 -1.26 -4.48 119.74 113.70 1jgk s LYS 24 Ca 0.30 -0.12 -0.05 0.00 0.02 0.00 0.00 55.97 56.13 1jgk s LYS 24 Cb -0.06 -0.69 -0.04 0.00 -0.52 0.00 0.00 37.83 36.52 1jgk s LYS 24 CO 0.77 -1.00 0.15 0.71 -0.92 0.00 0.00 175.35 175.06 1jgk s TYR 25 N 2.36 3.55 -0.18 3.18 2.02 -0.01 -2.67 117.35 125.61 1jgk s TYR 25 Ca 0.09 0.43 -0.29 0.00 -0.37 0.00 0.00 57.07 56.94 1jgk s TYR 25 Cb -0.14 -1.88 -0.02 0.00 -0.40 0.00 0.00 41.96 39.52 1jgk s TYR 25 CO -0.32 0.69 1.43 0.00 -1.57 0.00 0.00 175.55 175.78 1jgk s PHE 27 N 4.18 3.01 -0.28 0.00 -0.71 -1.21 -0.83 117.98 122.15 1jgk s PHE 27 Ca 0.63 -0.70 -0.16 0.00 -1.04 0.00 0.00 56.93 55.65 1jgk s PHE 27 Cb -0.24 -2.16 -0.03 0.00 -1.21 0.00 0.00 43.02 39.38 1jgk s PHE 27 CO 0.23 -0.46 0.43 0.21 -1.34 0.00 0.00 175.22 174.29 1jgk s LYS 28 N 1.52 3.99 -0.35 1.99 2.20 0.90 -3.62 119.74 126.37 1jgk s LYS 28 Ca 0.06 0.10 -0.04 0.00 -0.36 0.00 0.00 55.97 55.73 1jgk s LYS 28 Cb -0.15 -3.67 0.07 0.00 -1.51 0.00 0.00 37.83 32.57 1jgk s LYS 28 CO -0.00 -0.34 0.10 -2.00 -0.36 0.00 0.00 175.35 172.75 1jgk s GLU 29 N 2.18 2.37 -0.56 4.03 2.12 0.87 -0.96 118.70 128.75 1jgk s GLU 29 Ca 0.17 -1.42 -0.15 0.00 0.36 0.00 0.00 54.97 53.94 1jgk s GLU 29 Cb -0.16 -3.41 0.14 0.00 0.26 0.00 0.00 34.13 30.96 1jgk s GLU 29 CO 0.10 -0.79 0.50 0.45 -0.54 0.00 0.00 175.26 174.99 1jgk s SER 30 N 1.52 6.16 0.39 -1.70 0.15 0.76 -0.06 113.70 120.93 1jgk s SER 30 Ca 0.00 -1.91 -0.23 0.00 0.70 0.00 0.00 55.95 54.51 1jgk s SER 30 Cb -0.21 -2.18 -0.10 0.00 -1.71 0.00 0.00 66.02 61.82 1jgk s SER 30 CO -0.01 -0.80 0.95 0.86 1.20 0.00 0.00 173.24 175.45 1jgk s TRP 31 N 1.40 3.46 -0.05 3.44 -0.00 0.38 -0.09 118.94 127.48 1jgk s TRP 31 Ca 0.05 1.68 -0.25 0.00 -0.00 0.00 0.00 56.10 57.59 1jgk s TRP 31 Cb -0.27 -2.90 -0.04 0.00 -0.00 0.00 0.00 33.47 30.26 1jgk s TRP 31 CO 0.01 -0.02 0.75 0.50 -0.00 0.00 0.00 176.95 178.19 1jgk s ARG 32 N -2.70 4.46 0.04 5.86 6.06 -1.17 -0.95 118.95 130.55 1jgk s ARG 32 Ca 0.57 0.98 0.07 0.00 -2.50 0.00 0.00 55.73 54.86 1jgk s ARG 32 Cb -0.14 -3.44 -0.03 0.00 0.06 0.00 0.00 34.95 31.40 1jgk s ARG 32 CO 0.18 0.07 -0.20 -2.00 -2.50 0.00 0.00 175.30 170.85 1jgk s GLU 33 N 0.76 2.03 0.55 5.12 2.12 0.67 -4.89 118.70 125.05 1jgk s GLU 33 Ca 0.40 -1.00 0.37 0.00 0.36 0.00 0.00 54.97 55.10 1jgk s GLU 33 Cb -0.18 -2.15 2.00 0.00 0.26 0.00 0.00 34.13 34.05 1jgk s GLU 33 CO 0.20 0.54 2.12 0.00 -0.54 0.00 0.00 175.26 177.58 1jgk h ALA 34 N 4.64 1.00 0.00 6.30 0.00 -2.02 -1.53 119.26 127.66 1jgk h ALA 34 Ca -0.47 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1jgk h ALA 34 Cb 1.15 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1jgk h ALA 34 CO 0.47 -0.00 -1.82 0.54 0.00 0.00 0.00 179.25 178.43 1jgk n ARG 35 N -2.79 0.62 0.00 0.00 1.74 -1.26 -5.08 116.66 109.89 1jgk n ARG 35 Ca -0.02 -0.14 0.00 0.00 -0.77 0.00 0.00 57.85 56.92 1jgk n ARG 35 Cb 0.06 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 1jgk n ARG 35 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jgk n GLY 36 N 1.58 0.67 3.08 -0.13 0.00 -0.57 -5.16 105.19 104.66 1jgk n GLY 36 Ca -0.06 0.27 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 1jgk n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jgk s THR 37 N 1.75 -0.01 -0.37 2.61 -4.23 -1.26 -0.24 115.64 113.89 1jgk s THR 37 Ca 0.00 0.04 -0.11 0.00 -1.18 0.00 0.00 61.69 60.43 1jgk s THR 37 Cb 0.00 -0.32 0.03 0.00 1.34 0.00 0.00 72.50 73.55 1jgk s THR 37 CO 0.00 0.01 0.21 -0.60 -0.54 0.00 0.00 174.62 173.71 1jgk s ARG 38 N 0.38 2.86 -0.31 3.99 3.00 -0.12 -4.40 118.95 124.35 1jgk s ARG 38 Ca -0.02 -1.06 -0.17 0.00 -1.00 0.00 0.00 55.73 53.48 1jgk s ARG 38 Cb -0.04 -3.74 -0.02 0.00 0.00 0.00 0.00 34.95 31.15 1jgk s ARG 38 CO -0.02 -0.69 0.45 -1.50 0.00 0.00 0.00 175.30 173.55 1jgk s ILE 39 N 1.57 5.09 0.15 4.11 2.07 -1.26 -0.47 121.20 132.46 1jgk s ILE 39 Ca 0.02 0.48 0.07 0.00 -1.41 0.00 0.00 60.65 59.82 1jgk s ILE 39 Cb -0.19 -3.84 -0.04 0.00 0.13 0.00 0.00 42.46 38.52 1jgk s ILE 39 CO 0.07 -0.03 -0.05 -0.70 -1.91 0.00 0.00 174.94 172.32 1jgk s GLU 40 N 2.23 2.25 0.25 3.50 -6.30 0.92 -4.36 118.70 117.19 1jgk s GLU 40 Ca 0.17 -1.10 0.01 0.00 -2.50 0.00 0.00 54.97 51.55 1jgk s GLU 40 Cb -0.16 -2.31 -0.04 0.00 0.00 0.00 0.00 34.13 31.63 1jgk s GLU 40 CO 0.11 0.47 0.15 0.50 0.02 0.00 0.00 175.26 176.51 1jgk s ARG 41 N -2.66 1.38 0.00 4.30 3.52 -1.26 -0.09 118.95 124.14 1jgk s ARG 41 Ca 0.25 -1.76 0.00 0.00 -0.13 0.00 0.00 55.73 54.09 1jgk s ARG 41 Cb -0.10 0.11 0.00 0.00 -1.56 0.00 0.00 34.95 33.40 1jgk s ARG 41 CO 0.16 -0.42 0.00 0.41 -0.81 0.00 0.00 175.30 174.65 1jgk n GLY 42 N -0.41 -0.54 3.30 8.12 0.00 -1.24 -4.98 105.19 109.44 1jgk n GLY 42 Ca 0.02 -0.50 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 1jgk n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jgk n ALA 44 N 4.89 0.20 -0.08 0.00 0.00 -0.42 -4.87 120.51 120.22 1jgk n ALA 44 Ca -0.15 -1.68 0.00 0.00 0.00 0.00 0.00 53.44 51.61 1jgk n ALA 44 Cb 0.52 1.35 0.00 0.00 0.00 0.00 0.00 19.45 21.33 1jgk n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jgk n ALA 45 N -0.85 1.96 -0.09 0.00 0.00 -1.26 -0.83 120.51 119.43 1jgk n ALA 45 Ca -0.12 -0.25 -0.13 0.00 0.00 0.00 0.00 53.44 52.95 1jgk n ALA 45 Cb 0.56 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.92 1jgk n ALA 45 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1jgk n THR 46 N -0.37 1.09 -3.41 0.00 -1.04 -1.26 -5.00 114.28 104.29 1jgk n THR 46 Ca 0.00 -0.42 -0.29 0.00 -2.04 0.00 0.00 64.05 61.30 1jgk n THR 46 Cb 0.02 -1.15 0.03 0.00 -1.82 0.00 0.00 70.33 67.40 1jgk n THR 46 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jgk s PRO 48 N -2.08 -0.38 0.00 0.00 0.04 -1.26 -5.04 135.00 126.28 1jgk s PRO 48 Ca 0.28 -0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.26 1jgk s PRO 48 Cb -0.03 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.81 1jgk s PRO 48 CO 0.66 -3.15 0.00 1.63 0.04 0.00 0.00 177.00 176.17 1jgk n LYS 49 N -4.36 3.07 -0.35 4.56 5.02 -1.26 -4.83 118.16 120.00 1jgk n LYS 49 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1jgk n LYS 49 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.60 1jgk n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jgk n GLY 50 N 5.00 1.68 0.66 0.72 0.00 -1.26 -4.91 105.19 107.08 1jgk n GLY 50 Ca 0.00 -2.04 -0.03 0.00 0.00 0.00 0.00 46.02 43.95 1jgk n GLY 50 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jgk n SER 51 N -1.14 -0.28 -0.48 1.61 7.64 -1.26 -4.98 113.62 114.74 1jgk n SER 51 Ca 0.00 -1.36 0.39 0.00 1.01 0.00 0.00 58.87 58.91 1jgk n SER 51 Cb 0.00 0.51 0.69 0.00 -1.01 0.00 0.00 64.21 64.40 1jgk n SER 51 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1jgk h VAL 52 N 1.20 0.16 0.00 0.44 2.07 -2.03 -2.03 116.25 116.05 1jgk h VAL 52 Ca -0.05 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1jgk h VAL 52 Cb 0.23 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1jgk h VAL 52 CO 0.07 0.01 0.00 -1.22 0.02 0.00 0.00 177.57 176.46 1jgk n TYR 53 N -4.48 0.00 0.00 1.57 4.01 -1.26 -5.01 117.16 111.99 1jgk n TYR 53 Ca 0.37 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.11 1jgk n TYR 53 Cb 1.49 -0.38 0.00 0.00 -0.31 0.00 0.00 39.34 40.14 1jgk n TYR 53 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jgk n GLY 54 N -0.88 0.79 3.79 2.72 0.00 -0.76 -4.91 105.19 105.94 1jgk n GLY 54 Ca 0.00 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 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 0.00 2.63 -0.24 0.99 2.34 -1.26 -3.05 118.68 120.09 1jgk s LEU 55 Ca 0.00 -1.39 0.01 0.00 0.06 0.00 0.00 54.13 52.80 1jgk s LEU 55 Cb 0.00 -1.03 0.04 0.00 -0.56 0.00 0.00 46.19 44.64 1jgk s LEU 55 CO 0.00 -0.83 -0.10 -0.47 -1.06 0.00 0.00 176.35 173.89 1jgk s TYR 56 N -2.77 3.11 -0.28 3.48 6.14 0.88 -4.71 117.35 123.19 1jgk s TYR 56 Ca 0.24 -1.91 -0.06 0.00 0.64 0.00 0.00 57.07 55.98 1jgk s TYR 56 Cb 0.02 -1.99 0.01 0.00 0.42 0.00 0.00 41.96 40.42 1jgk s TYR 56 CO 0.14 -0.81 0.05 0.08 0.64 0.00 0.00 175.55 175.64 1jgk s VAL 57 N 1.22 3.75 -0.18 3.14 1.01 -1.22 -0.17 120.40 127.94 1jgk s VAL 57 Ca -0.03 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.23 1jgk s VAL 57 Cb -0.18 -2.91 0.03 0.00 0.00 0.00 0.00 36.38 33.33 1jgk s VAL 57 CO -0.06 0.13 -0.14 -0.76 0.00 0.00 0.00 175.10 174.27 1jgk s LEU 58 N 1.47 2.15 -0.15 3.92 1.43 -0.13 -4.88 118.68 122.49 1jgk s LEU 58 Ca 0.02 -0.75 -0.07 0.00 -1.03 0.00 0.00 54.13 52.31 1jgk s LEU 58 Cb -0.17 -1.30 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 1jgk s LEU 58 CO 0.01 -0.09 0.07 0.00 0.23 0.00 0.00 176.35 176.57 1jgk s THR 61 N -1.69 -0.83 0.00 0.00 -1.32 -1.26 -0.42 115.64 110.12 1jgk s THR 61 Ca -0.10 -0.30 0.00 0.00 -1.21 0.00 0.00 61.69 60.08 1jgk s THR 61 Cb -0.08 -0.16 0.00 0.00 -1.51 0.00 0.00 72.50 70.74 1jgk s THR 61 CO -0.01 -0.15 0.00 1.07 -2.21 0.00 0.00 174.62 173.32 1jgk n THR 62 N 4.29 0.00 -3.63 5.08 5.66 -1.26 -4.92 114.28 119.50 1jgk n THR 62 Ca 0.12 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 61.08 1jgk n THR 62 Cb 0.54 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.28 1jgk n THR 62 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1jgk s ASP 63 N -1.31 -0.12 0.00 1.09 -1.08 -1.26 -4.85 116.67 109.14 1jgk s ASP 63 Ca 0.00 0.14 0.00 0.00 -0.52 0.00 0.00 52.55 52.17 1jgk s ASP 63 Cb 0.00 0.11 0.00 0.00 -1.46 0.00 0.00 42.92 41.57 1jgk s ASP 63 CO 0.00 -0.10 0.00 0.47 0.52 0.00 0.00 175.17 176.06 1jgk n ASP 64 N 0.66 0.00 -1.09 -0.34 8.00 -1.21 -2.67 116.55 119.91 1jgk n ASP 64 Ca -0.03 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.54 1jgk n ASP 64 Cb 0.58 0.00 0.24 0.00 -0.02 0.00 0.00 41.12 41.93 1jgk n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81