#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 1.43 -0.21 0.03 1.02 -1.26 -4.40 119.74 116.34 1jgk s LYS 2 Ca 0.00 -1.18 -0.02 0.00 0.02 0.00 0.00 55.97 54.79 1jgk s LYS 2 Cb 0.00 0.45 0.07 0.00 -0.52 0.00 0.00 37.83 37.83 1jgk s LYS 2 CO 0.00 -0.58 0.03 0.00 -0.92 0.00 0.00 175.35 173.88 1jgk s LYS 4 N 1.77 4.28 -0.17 0.00 -2.85 -1.25 -0.95 119.74 120.57 1jgk s LYS 4 Ca -0.00 1.42 -0.10 0.00 -1.00 0.00 0.00 55.97 56.29 1jgk s LYS 4 Cb -0.17 -3.65 -0.05 0.00 -2.06 0.00 0.00 37.83 31.90 1jgk s LYS 4 CO -0.10 -0.60 0.15 0.42 0.10 0.00 0.00 175.35 175.32 1jgk s ILE 5 N 3.08 5.42 0.31 3.79 1.01 0.27 -4.85 121.20 130.23 1jgk s ILE 5 Ca 0.47 0.24 -0.19 0.00 0.00 0.00 0.00 60.65 61.16 1jgk s ILE 5 Cb -0.17 -3.47 0.04 0.00 0.01 0.00 0.00 42.46 38.87 1jgk s ILE 5 CO 0.09 0.48 0.76 0.00 0.00 0.00 0.00 174.94 176.28 1jgk n ASN 7 N -0.83 0.40 -1.39 0.00 5.15 -1.26 -4.29 115.26 113.04 1jgk n ASN 7 Ca -0.06 -1.83 0.03 0.00 -0.60 0.00 0.00 54.58 52.12 1jgk n ASN 7 Cb 0.59 -0.04 -0.01 0.00 -0.53 0.00 0.00 39.78 39.79 1jgk n ASN 7 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 1jgk n PHE 8 N -0.36 -3.11 0.00 1.20 7.35 -1.25 -3.94 117.46 117.35 1jgk n PHE 8 Ca 0.07 1.69 0.00 0.00 -0.76 0.00 0.00 57.45 58.45 1jgk n PHE 8 Cb 0.08 -2.64 0.00 0.00 0.35 0.00 0.00 39.48 37.27 1jgk n PHE 8 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1jgk n ASP 9 N -2.79 0.00 -2.63 -2.13 2.03 -1.26 -4.16 116.55 105.61 1jgk n ASP 9 Ca -0.01 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.28 1jgk n ASP 9 Cb 0.39 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.83 1jgk n ASP 9 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1jgk n THR 10 N 0.00 1.28 -3.61 5.18 5.66 -1.26 -5.06 114.28 116.47 1jgk n THR 10 Ca 0.00 -2.87 -0.02 0.00 -3.05 0.00 0.00 64.05 58.10 1jgk n THR 10 Cb 0.00 1.06 -0.06 0.00 -1.55 0.00 0.00 70.33 69.77 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 4.03 0.00 -3.31 0.00 5.12 -1.26 -3.94 116.66 117.29 1jgk n ARG 12 Ca -0.17 0.00 -0.45 0.00 -1.93 0.00 0.00 57.85 55.30 1jgk n ARG 12 Cb 0.57 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.87 1jgk n ARG 12 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1jgk n ALA 13 N -3.00 4.32 -0.09 7.54 0.00 -1.26 -4.41 120.51 123.60 1jgk n ALA 13 Ca 0.00 -4.68 -0.17 0.00 0.00 0.00 0.00 53.44 48.59 1jgk n ALA 13 Cb 0.00 -2.45 -0.13 0.00 0.00 0.00 0.00 19.45 16.87 1jgk n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jgk n GLY 14 N 2.55 -0.55 2.37 0.00 0.00 -1.17 -4.77 105.19 103.64 1jgk n GLY 14 Ca 0.24 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.21 0.49 -3.43 1.61 4.71 -0.06 -4.96 120.64 115.80 1jgk n GLU 15 Ca -0.39 -2.96 -0.35 0.00 -0.01 0.00 0.00 57.16 53.45 1jgk n GLU 15 Cb 1.03 -1.44 -0.06 0.00 -1.01 0.00 0.00 31.44 29.97 1jgk n GLU 15 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1jgk s LEU 16 N -0.47 4.34 0.00 -4.62 0.20 -1.26 -0.56 118.68 116.32 1jgk s LEU 16 Ca 0.33 0.98 0.00 0.00 0.69 0.00 0.00 54.13 56.13 1jgk s LEU 16 Cb 0.11 -3.16 0.00 0.00 -0.43 0.00 0.00 46.19 42.71 1jgk s LEU 16 CO -0.15 0.13 0.00 1.17 -0.29 0.00 0.00 176.35 177.21 1jgk n LYS 17 N 0.85 0.00 -4.72 1.98 4.81 -0.12 -4.89 118.16 116.06 1jgk n LYS 17 Ca -0.06 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.13 1jgk n LYS 17 Cb 0.52 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 35.41 1jgk n LYS 17 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1jgk s VAL 18 N 0.83 1.29 0.17 3.15 -7.23 -1.26 -0.77 120.40 116.57 1jgk s VAL 18 Ca 0.00 -0.62 -0.01 0.00 -1.81 0.00 0.00 61.98 59.54 1jgk s VAL 18 Cb 0.00 -1.12 0.00 0.00 0.56 0.00 0.00 36.38 35.82 1jgk s VAL 18 CO 0.00 0.38 0.24 0.00 -0.31 0.00 0.00 175.10 175.41 1jgk n ALA 20 N -1.86 -0.68 -0.10 0.00 0.00 -0.82 -4.72 120.51 112.32 1jgk n ALA 20 Ca -0.07 0.11 -0.13 0.00 0.00 0.00 0.00 53.44 53.36 1jgk n ALA 20 Cb 0.29 -1.46 -0.10 0.00 0.00 0.00 0.00 19.45 18.17 1jgk n ALA 20 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1jgk n SER 21 N -1.58 2.07 0.00 0.00 2.88 -1.26 -4.85 113.62 110.89 1jgk n SER 21 Ca -0.14 -0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.31 1jgk n SER 21 Cb 0.58 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1jgk n SER 21 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jgk n GLY 22 N 2.39 1.02 2.72 0.46 0.00 -1.26 -5.00 105.19 105.51 1jgk n GLY 22 Ca -0.34 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.40 1jgk n GLY 22 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1jgk n GLU 23 N 0.00 2.69 -3.71 1.61 2.13 -1.26 -5.06 120.64 117.04 1jgk n GLU 23 Ca 0.00 -4.45 -0.09 0.00 0.66 0.00 0.00 57.16 53.28 1jgk n GLU 23 Cb 0.00 -2.09 -0.02 0.00 0.27 0.00 0.00 31.44 29.60 1jgk n GLU 23 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1jgk s LYS 24 N -3.24 1.60 0.37 5.31 -2.85 -1.26 -4.91 119.74 114.75 1jgk s LYS 24 Ca 0.46 -0.81 -0.05 0.00 -1.00 0.00 0.00 55.97 54.56 1jgk s LYS 24 Cb 0.31 0.60 0.02 0.00 -2.06 0.00 0.00 37.83 36.70 1jgk s LYS 24 CO -0.13 -0.72 0.58 2.48 0.10 0.00 0.00 175.35 177.66 1jgk n TYR 25 N -0.43 -1.72 -4.38 1.78 0.18 -0.43 -1.95 117.16 110.21 1jgk n TYR 25 Ca -0.09 -2.23 -0.34 0.00 1.88 0.00 0.00 57.90 57.13 1jgk n TYR 25 Cb 0.61 0.66 -0.12 0.00 -0.38 0.00 0.00 39.34 40.11 1jgk n TYR 25 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1jgk s PHE 27 N 0.28 2.89 -0.21 0.00 -0.71 -1.17 -0.37 117.98 118.70 1jgk s PHE 27 Ca -0.03 -1.19 -0.20 0.00 -1.04 0.00 0.00 56.93 54.47 1jgk s PHE 27 Cb -0.14 -2.04 -0.03 0.00 -1.21 0.00 0.00 43.02 39.61 1jgk s PHE 27 CO 0.03 -0.64 0.61 0.21 -1.34 0.00 0.00 175.22 174.08 1jgk s LYS 28 N 1.40 4.19 -0.21 1.99 2.36 0.33 -4.22 119.74 125.59 1jgk s LYS 28 Ca 0.05 0.56 -0.02 0.00 -2.55 0.00 0.00 55.97 54.02 1jgk s LYS 28 Cb -0.14 -3.58 0.01 0.00 -1.05 0.00 0.00 37.83 33.07 1jgk s LYS 28 CO -0.07 -0.24 -0.10 -2.00 1.55 0.00 0.00 175.35 174.49 1jgk s GLU 29 N 1.93 3.12 -0.36 4.03 -6.30 -0.47 -0.37 118.70 120.27 1jgk s GLU 29 Ca 0.27 -0.78 -0.07 0.00 -2.50 0.00 0.00 54.97 51.90 1jgk s GLU 29 Cb -0.16 -2.85 0.05 0.00 0.00 0.00 0.00 34.13 31.18 1jgk s GLU 29 CO 0.10 -0.25 0.15 0.45 0.02 0.00 0.00 175.26 175.73 1jgk s SER 30 N 1.38 5.39 -0.13 -1.70 0.15 0.05 -1.03 113.70 117.80 1jgk s SER 30 Ca 0.04 -1.28 -0.29 0.00 0.70 0.00 0.00 55.95 55.12 1jgk s SER 30 Cb -0.14 -1.89 -0.01 0.00 -1.71 0.00 0.00 66.02 62.26 1jgk s SER 30 CO -0.07 -0.39 1.00 0.86 1.20 0.00 0.00 173.24 175.84 1jgk s TRP 31 N 1.39 3.47 -0.35 3.44 -0.11 0.15 -1.28 118.94 125.65 1jgk s TRP 31 Ca 0.00 1.55 -0.13 0.00 1.22 0.00 0.00 56.10 58.74 1jgk s TRP 31 Cb -0.21 -3.19 -0.01 0.00 -1.50 0.00 0.00 33.47 28.56 1jgk s TRP 31 CO 0.02 -0.27 0.24 0.50 -4.62 0.00 0.00 176.95 172.82 1jgk s ARG 32 N 2.25 3.40 0.01 5.86 3.52 0.50 -0.67 118.95 133.82 1jgk s ARG 32 Ca 0.47 -0.71 0.00 0.00 -0.13 0.00 0.00 55.73 55.36 1jgk s ARG 32 Cb -0.18 -3.81 0.00 0.00 -1.56 0.00 0.00 34.95 29.41 1jgk s ARG 32 CO 0.15 -0.48 0.00 0.39 -0.81 0.00 0.00 175.30 174.55 1jgk n GLU 33 N 5.10 1.80 0.00 5.12 1.02 -1.26 -4.42 120.64 128.00 1jgk n GLU 33 Ca -0.12 -0.04 0.12 0.00 -0.02 0.00 0.00 57.16 57.10 1jgk n GLU 33 Cb 0.49 0.01 0.16 0.00 -0.02 0.00 0.00 31.44 32.08 1jgk n GLU 33 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jgk n ALA 34 N -2.99 2.67 -0.00 0.62 0.00 -1.26 -4.31 120.51 115.24 1jgk n ALA 34 Ca -0.00 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.80 1jgk n ALA 34 Cb 0.01 -0.87 -0.01 0.00 0.00 0.00 0.00 19.45 18.57 1jgk n ALA 34 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1jgk n ARG 35 N 0.89 1.78 0.00 0.00 1.85 -1.26 -5.06 116.66 114.86 1jgk n ARG 35 Ca 0.14 -0.01 0.00 0.00 -1.00 0.00 0.00 57.85 56.98 1jgk n ARG 35 Cb 0.53 -1.05 0.00 0.00 -1.05 0.00 0.00 32.46 30.90 1jgk n ARG 35 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1jgk n GLY 36 N 2.62 1.70 3.79 2.89 0.00 -1.26 -5.15 105.19 109.79 1jgk n GLY 36 Ca -0.02 0.39 -0.36 0.00 0.00 0.00 0.00 46.02 46.03 1jgk n GLY 36 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1jgk s THR 37 N 0.00 4.23 0.36 2.61 -1.32 -1.26 -4.23 115.64 116.03 1jgk s THR 37 Ca 0.00 1.73 0.07 0.00 -1.21 0.00 0.00 61.69 62.28 1jgk s THR 37 Cb 0.00 -3.90 -0.07 0.00 -1.51 0.00 0.00 72.50 67.02 1jgk s THR 37 CO 0.00 0.03 -0.02 -0.13 -2.21 0.00 0.00 174.62 172.29 1jgk s ARG 38 N -2.33 1.80 0.00 7.08 0.52 0.15 -4.92 118.95 121.26 1jgk s ARG 38 Ca 0.53 -1.98 0.00 0.00 -0.52 0.00 0.00 55.73 53.76 1jgk s ARG 38 Cb -0.17 -1.44 -0.00 0.00 0.52 0.00 0.00 34.95 33.87 1jgk s ARG 38 CO 0.21 -0.02 -0.01 0.42 0.02 0.00 0.00 175.30 175.93 1jgk s ILE 39 N -2.84 0.07 0.00 1.52 1.09 -1.25 0.31 121.20 120.09 1jgk s ILE 39 Ca 0.34 -0.13 0.00 0.00 -1.10 0.00 0.00 60.65 59.76 1jgk s ILE 39 Cb 0.07 -0.08 -0.00 0.00 -1.06 0.00 0.00 42.46 41.38 1jgk s ILE 39 CO 0.16 -0.04 -0.01 -0.70 -0.10 0.00 0.00 174.94 174.25 1jgk s GLU 40 N -0.18 0.06 0.00 2.79 2.56 -0.20 -4.21 118.70 119.52 1jgk s GLU 40 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.97 54.86 1jgk s GLU 40 Cb -0.01 0.00 0.00 0.00 2.00 0.00 0.00 34.13 36.12 1jgk s GLU 40 CO -0.00 -0.00 0.00 -2.13 -0.56 0.00 0.00 175.26 172.57 1jgk n ARG 41 N 2.86 2.90 0.00 4.30 0.63 -1.26 -1.37 116.66 124.72 1jgk n ARG 41 Ca -0.14 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.79 1jgk n ARG 41 Cb 0.59 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.50 1jgk n ARG 41 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1jgk n GLY 42 N 5.00 4.20 3.56 5.14 0.00 -1.26 -4.96 105.19 116.87 1jgk n GLY 42 Ca 0.00 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 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 7.10 0.00 -1.48 0.00 0.00 0.84 -4.88 120.51 122.09 1jgk n ALA 44 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.51 1jgk n ALA 44 Cb 0.48 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.95 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 -3.00 1.79 -0.01 0.00 0.00 -1.26 -1.32 120.51 116.72 1jgk n ALA 45 Ca 0.00 -1.12 -0.13 0.00 0.00 0.00 0.00 53.44 52.19 1jgk n ALA 45 Cb 0.00 -0.33 -0.10 0.00 0.00 0.00 0.00 19.45 19.02 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 4.50 1.37 -6.60 0.00 2.02 -1.97 -3.48 112.91 108.75 1jgk h THR 46 Ca 0.00 -1.35 -0.45 0.00 0.77 0.00 0.00 66.41 65.38 1jgk h THR 46 Cb 1.18 2.26 0.00 0.00 -1.74 0.00 0.00 68.15 69.85 1jgk h THR 46 CO 0.00 0.34 -0.96 0.00 0.37 0.00 0.00 175.52 175.27 1jgk n PRO 48 N -3.09 -1.26 -0.51 0.00 -0.04 -1.26 -5.06 135.00 123.77 1jgk n PRO 48 Ca -0.23 -0.52 0.00 0.00 -0.04 0.00 0.00 63.50 62.71 1jgk n PRO 48 Cb 0.64 -0.44 0.00 0.00 -0.04 0.00 0.00 33.50 33.66 1jgk n PRO 48 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1jgk n LYS 49 N -2.26 0.11 -0.13 0.54 5.02 -1.26 -4.75 118.16 115.43 1jgk n LYS 49 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1jgk n LYS 49 Cb 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.18 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 0.16 2.51 0.00 0.72 0.00 -1.25 -4.86 105.19 102.46 1jgk n GLY 50 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1jgk n GLY 50 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jgk n SER 51 N -0.09 0.37 0.30 1.61 3.41 -1.26 -4.94 113.62 113.03 1jgk n SER 51 Ca 0.00 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 58.80 1jgk n SER 51 Cb 0.00 0.00 1.02 0.00 -0.26 0.00 0.00 64.21 64.97 1jgk n SER 51 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1jgk h VAL 52 N 0.00 0.00 0.03 -3.33 3.04 -2.03 -2.49 116.25 111.48 1jgk h VAL 52 Ca 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 66.70 65.71 1jgk h VAL 52 Cb 0.00 0.83 -0.02 0.00 -2.01 0.00 0.00 31.29 30.09 1jgk h VAL 52 CO 0.00 0.00 -0.12 0.22 -1.01 0.00 0.00 177.57 176.66 1jgk h TYR 53 N 0.00 -0.32 0.00 3.17 3.20 -1.94 -3.47 116.97 117.62 1jgk h TYR 53 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1jgk h TYR 53 Cb 0.12 0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.53 1jgk h TYR 53 CO 0.00 -0.19 0.00 0.41 -1.64 0.00 0.00 178.16 176.74 1jgk n GLY 54 N -1.25 0.28 2.55 1.82 0.00 -0.94 -4.59 105.19 103.06 1jgk n GLY 54 Ca -0.06 -0.37 -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 1.08 0.00 0.00 0.00 173.32 174.40 1jgk s LEU 55 N 0.00 0.74 -0.51 0.99 1.02 -1.24 0.19 118.68 119.87 1jgk s LEU 55 Ca 0.00 -1.43 -0.22 0.00 0.02 0.00 0.00 54.13 52.50 1jgk s LEU 55 Cb 0.00 -0.40 0.04 0.00 0.02 0.00 0.00 46.19 45.85 1jgk s LEU 55 CO 0.00 -0.42 0.80 -0.47 0.02 0.00 0.00 176.35 176.28 1jgk s TYR 56 N 1.94 2.92 -0.19 0.29 6.14 -0.41 -3.93 117.35 124.11 1jgk s TYR 56 Ca 0.10 -0.13 -0.08 0.00 0.64 0.00 0.00 57.07 57.60 1jgk s TYR 56 Cb -0.17 -3.80 -0.04 0.00 0.42 0.00 0.00 41.96 38.37 1jgk s TYR 56 CO -0.32 -1.17 0.07 0.08 0.64 0.00 0.00 175.55 174.86 1jgk s VAL 57 N 3.39 4.86 -0.30 3.14 1.01 -1.23 -0.77 120.40 130.50 1jgk s VAL 57 Ca 0.25 -0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.21 1jgk s VAL 57 Cb -0.14 -3.20 0.10 0.00 0.00 0.00 0.00 36.38 33.14 1jgk s VAL 57 CO 0.18 0.45 0.11 -0.22 0.00 0.00 0.00 175.10 175.62 1jgk s LEU 58 N 0.42 1.55 -0.18 3.92 0.20 0.50 -4.87 118.68 120.22 1jgk s LEU 58 Ca 0.04 -1.48 -0.17 0.00 0.69 0.00 0.00 54.13 53.20 1jgk s LEU 58 Cb -0.12 -0.66 -0.04 0.00 -0.43 0.00 0.00 46.19 44.94 1jgk s LEU 58 CO 0.00 -0.42 0.46 0.00 -0.29 0.00 0.00 176.35 176.10 1jgk n THR 61 N -0.21 -0.03 0.05 0.00 5.66 -1.24 -1.42 114.28 117.08 1jgk n THR 61 Ca -0.10 -2.94 0.00 0.00 -3.05 0.00 0.00 64.05 57.97 1jgk n THR 61 Cb 0.61 0.66 0.00 0.00 -1.55 0.00 0.00 70.33 70.05 1jgk n THR 61 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1jgk n THR 62 N 0.26 0.00 -3.85 1.09 -1.04 -1.26 -4.84 114.28 104.64 1jgk n THR 62 Ca 0.14 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 62.03 1jgk n THR 62 Cb 0.70 -0.11 -0.12 0.00 -1.82 0.00 0.00 70.33 68.98 1jgk n THR 62 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1jgk s ASP 63 N -3.45 -0.05 0.00 8.00 2.15 -1.26 -4.72 116.67 117.34 1jgk s ASP 63 Ca 0.00 0.07 0.00 0.00 0.43 0.00 0.00 52.55 53.05 1jgk s ASP 63 Cb 0.00 0.21 0.00 0.00 -0.30 0.00 0.00 42.92 42.83 1jgk s ASP 63 CO 0.00 -0.13 0.00 0.47 -0.17 0.00 0.00 175.17 175.34 1jgk n ASP 64 N 2.58 0.00 0.00 -0.34 9.92 -1.19 -2.81 116.55 124.71 1jgk n ASP 64 Ca -0.15 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.24 1jgk n ASP 64 Cb 0.58 0.00 0.76 0.00 -0.64 0.00 0.00 41.12 41.82 1jgk n ASP 64 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33