#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j4t s GLN 3 N 0.00 1.53 0.13 4.33 -2.07 -1.26 -5.09 119.66 117.24 1j4t s GLN 3 Ca 0.00 -1.76 0.05 0.00 -1.82 0.00 0.00 55.36 51.83 1j4t s GLN 3 Cb 0.00 -1.22 -0.04 0.00 -1.09 0.00 0.00 33.01 30.66 1j4t s GLN 3 CO 0.00 0.09 -0.12 0.95 -1.32 0.00 0.00 175.29 174.89 1j4t s THR 4 N -2.95 1.21 -0.02 3.63 -4.23 -1.26 -5.10 115.64 106.92 1j4t s THR 4 Ca 0.28 -1.84 -0.30 0.00 -1.18 0.00 0.00 61.69 58.65 1j4t s THR 4 Cb 0.02 -1.62 -0.05 0.00 1.34 0.00 0.00 72.50 72.19 1j4t s THR 4 CO 0.11 -0.57 1.48 -0.63 -0.54 0.00 0.00 174.62 174.48 1j4t s ILE 5 N -2.64 3.65 -0.23 2.99 1.01 -1.21 -4.81 121.20 119.96 1j4t s ILE 5 Ca 0.11 0.97 -0.06 0.00 0.00 0.00 0.00 60.65 61.67 1j4t s ILE 5 Cb -0.02 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 1j4t s ILE 5 CO 0.02 -0.03 0.04 -0.89 0.00 0.00 0.00 174.94 174.08 1j4t s THR 6 N 2.94 4.14 0.14 2.92 2.01 -1.26 -0.02 115.64 126.50 1j4t s THR 6 Ca 0.66 -0.24 0.10 0.00 0.31 0.00 0.00 61.69 62.53 1j4t s THR 6 Cb -0.32 -2.91 -0.04 0.00 0.01 0.00 0.00 72.50 69.24 1j4t s THR 6 CO 0.27 0.38 -0.23 0.54 -0.69 0.00 0.00 174.62 174.88 1j4t s VAL 7 N 1.39 2.05 0.00 3.82 0.11 0.13 -4.97 120.40 122.94 1j4t s VAL 7 Ca 0.05 -1.77 0.00 0.00 -2.93 0.00 0.00 61.98 57.33 1j4t s VAL 7 Cb -0.15 -1.87 0.00 0.00 -1.53 0.00 0.00 36.38 32.83 1j4t s VAL 7 CO 0.02 -0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.35 1j4t n GLY 8 N 0.75 1.37 2.71 6.54 0.00 -1.26 -0.94 105.19 114.37 1j4t n GLY 8 Ca -0.17 -2.12 -0.04 0.00 0.00 0.00 0.00 46.02 43.69 1j4t n GLY 8 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j4t n SER 9 N 0.00 -2.42 -4.69 1.61 2.88 -1.25 -4.89 113.62 104.85 1j4t n SER 9 Ca 0.00 -1.98 -0.36 0.00 -1.33 0.00 0.00 58.87 55.19 1j4t n SER 9 Cb 0.00 1.24 -0.08 0.00 -0.75 0.00 0.00 64.21 64.62 1j4t n SER 9 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1j4t s TRP 10 N 0.87 3.38 -3.04 0.66 0.51 -0.74 -4.89 118.94 115.71 1j4t s TRP 10 Ca 0.27 0.42 0.00 0.00 -2.12 0.00 0.00 56.10 54.67 1j4t s TRP 10 Cb 0.08 -2.32 0.00 0.00 -0.81 0.00 0.00 33.47 30.42 1j4t s TRP 10 CO -0.09 0.14 0.00 0.41 -0.51 0.00 0.00 176.95 176.90 1j4t n GLY 11 N 3.82 0.69 0.92 0.98 0.00 -1.26 -1.06 105.19 109.28 1j4t n GLY 11 Ca -0.13 -1.92 -0.05 0.00 0.00 0.00 0.00 46.02 43.92 1j4t n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j4t n GLY 12 N 0.00 2.30 1.52 -0.02 0.00 -0.39 -4.88 105.19 103.72 1j4t n GLY 12 Ca 0.00 -2.17 -0.08 0.00 0.00 0.00 0.00 46.02 43.77 1j4t n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j4t n PRO 13 N -1.13 2.32 -1.67 1.61 -0.04 -1.26 -4.54 135.00 130.29 1j4t n PRO 13 Ca 0.02 -3.09 0.00 0.00 -0.04 0.00 0.00 63.50 60.40 1j4t n PRO 13 Cb 0.14 -1.97 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 1j4t n PRO 13 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j4t n GLY 14 N -0.93 4.51 0.70 0.55 0.00 -1.26 -5.06 105.19 103.70 1j4t n GLY 14 Ca 0.40 -2.18 0.09 0.00 0.00 0.00 0.00 46.02 44.33 1j4t n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j4t n GLY 15 N 5.00 -2.11 3.69 -0.02 0.00 -1.26 -4.63 105.19 105.85 1j4t n GLY 15 Ca 0.00 -1.32 -0.41 0.00 0.00 0.00 0.00 46.02 44.29 1j4t n GLY 15 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1j4t s ASN 16 N -5.70 7.04 1.06 1.61 0.01 -0.98 -4.72 114.94 113.26 1j4t s ASN 16 Ca 0.00 1.27 -0.15 0.00 -0.71 0.00 0.00 52.86 53.27 1j4t s ASN 16 Cb 0.00 -2.46 0.13 0.00 0.41 0.00 0.00 41.25 39.33 1j4t s ASN 16 CO 0.00 -0.29 0.46 0.61 -1.51 0.00 0.00 177.10 176.37 1j4t n GLY 17 N 3.24 -2.02 3.57 0.66 0.00 -1.26 -2.02 105.19 107.36 1j4t n GLY 17 Ca 0.03 -0.85 -0.11 0.00 0.00 0.00 0.00 46.02 45.09 1j4t n GLY 17 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1j4t s TRP 18 N -2.36 -0.40 -0.28 1.61 -2.14 -1.07 -4.77 118.94 109.53 1j4t s TRP 18 Ca 0.60 0.65 0.01 0.00 2.66 0.00 0.00 56.10 60.02 1j4t s TRP 18 Cb -0.19 0.45 0.17 0.00 -3.10 0.00 0.00 33.47 30.81 1j4t s TRP 18 CO 0.65 -0.39 0.48 0.34 -2.66 0.00 0.00 176.95 175.38 1j4t s ASP 19 N -1.24 -0.48 0.47 -2.66 -1.08 -1.26 -1.56 116.67 108.86 1j4t s ASP 19 Ca -0.02 0.19 0.27 0.00 -0.52 0.00 0.00 52.55 52.47 1j4t s ASP 19 Cb -0.00 1.55 0.93 0.00 -1.46 0.00 0.00 42.92 43.94 1j4t s ASP 19 CO 0.02 -0.31 1.82 -0.33 0.52 0.00 0.00 175.17 176.89 1j4t h GLU 20 N 8.10 0.00 0.00 4.34 5.08 -1.89 -3.49 114.58 126.72 1j4t h GLU 20 Ca -0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1j4t h GLU 20 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1j4t h GLU 20 CO 0.24 0.11 0.00 0.41 -1.00 0.00 0.00 179.01 178.77 1j4t n GLY 21 N 0.36 0.15 3.88 -3.84 0.00 -1.26 -4.93 105.19 99.54 1j4t n GLY 21 Ca 0.01 -2.01 -0.37 0.00 0.00 0.00 0.00 46.02 43.65 1j4t n GLY 21 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j4t s SER 22 N -0.39 6.42 0.00 1.61 1.04 -1.26 -4.25 113.70 116.88 1j4t s SER 22 Ca 0.00 0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.93 1j4t s SER 22 Cb 0.00 -2.08 0.00 0.00 0.10 0.00 0.00 66.02 64.04 1j4t s SER 22 CO 0.00 0.39 0.00 -1.22 0.98 0.00 0.00 173.24 173.39 1j4t n TYR 23 N 1.86 0.00 1.02 5.02 4.02 -0.67 -5.00 117.16 123.40 1j4t n TYR 23 Ca -0.19 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.82 1j4t n TYR 23 Cb 0.55 0.00 0.10 0.00 -0.02 0.00 0.00 39.34 39.97 1j4t n TYR 23 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1j4t n THR 24 N 0.00 0.00 -3.23 -0.72 -2.24 0.79 -4.89 114.28 103.99 1j4t n THR 24 Ca 0.00 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1j4t n THR 24 Cb 0.00 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 1j4t n THR 24 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j4t n GLY 25 N 1.48 -1.20 2.94 3.38 0.00 -1.19 -4.97 105.19 105.64 1j4t n GLY 25 Ca 0.06 -0.88 -0.22 0.00 0.00 0.00 0.00 46.02 44.98 1j4t n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j4t s ILE 26 N -3.00 0.79 -0.14 -0.61 1.01 -1.26 -2.67 121.20 115.32 1j4t s ILE 26 Ca 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 60.65 60.38 1j4t s ILE 26 Cb 0.00 -0.77 -0.08 0.00 0.01 0.00 0.00 42.46 41.62 1j4t s ILE 26 CO 0.00 0.28 -0.13 0.54 0.00 0.00 0.00 174.94 175.63 1j4t n ARG 27 N 4.01 0.33 -3.70 2.79 1.74 -0.99 -4.82 116.66 116.03 1j4t n ARG 27 Ca -0.23 0.09 -0.12 0.00 -0.77 0.00 0.00 57.85 56.82 1j4t n ARG 27 Cb 0.51 -1.23 -0.12 0.00 -1.02 0.00 0.00 32.46 30.60 1j4t n ARG 27 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1j4t s GLN 28 N -2.27 0.25 -0.04 5.56 0.74 -0.99 -1.50 119.66 121.42 1j4t s GLN 28 Ca -0.18 0.70 -0.03 0.00 0.05 0.00 0.00 55.36 55.89 1j4t s GLN 28 Cb 0.05 -0.03 -0.04 0.00 1.10 0.00 0.00 33.01 34.09 1j4t s GLN 28 CO 0.30 -0.20 0.14 0.42 -0.55 0.00 0.00 175.29 175.40 1j4t s ILE 29 N 1.69 5.23 -0.08 -2.34 1.01 0.19 -1.84 121.20 125.05 1j4t s ILE 29 Ca -0.06 -0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.45 1j4t s ILE 29 Cb -0.10 -3.38 0.02 0.00 0.01 0.00 0.00 42.46 39.00 1j4t s ILE 29 CO -0.10 0.41 -0.08 -1.61 0.00 0.00 0.00 174.94 173.55 1j4t s GLU 30 N -1.64 1.42 0.22 2.79 2.02 -0.53 0.36 118.70 123.34 1j4t s GLU 30 Ca 0.23 -0.27 -0.06 0.00 0.02 0.00 0.00 54.97 54.89 1j4t s GLU 30 Cb -0.12 -1.35 -0.02 0.00 0.10 0.00 0.00 34.13 32.73 1j4t s GLU 30 CO 0.14 -0.12 0.27 -0.48 0.02 0.00 0.00 175.26 175.08 1j4t s LEU 31 N 1.18 0.83 0.05 1.80 0.05 -0.85 -2.15 118.68 119.58 1j4t s LEU 31 Ca -0.05 -1.18 0.08 0.00 0.05 0.00 0.00 54.13 53.02 1j4t s LEU 31 Cb -0.14 0.95 -0.03 0.00 -2.05 0.00 0.00 46.19 44.93 1j4t s LEU 31 CO -0.02 -0.96 -0.23 -0.94 -0.55 0.00 0.00 176.35 173.65 1j4t s SER 32 N -3.09 2.76 -0.04 1.48 1.04 -0.73 -0.82 113.70 114.30 1j4t s SER 32 Ca 0.31 -0.55 -0.12 0.00 0.48 0.00 0.00 55.95 56.07 1j4t s SER 32 Cb 0.04 -0.24 0.02 0.00 0.10 0.00 0.00 66.02 65.94 1j4t s SER 32 CO 0.10 0.20 0.28 -0.72 0.98 0.00 0.00 173.24 174.08 1j4t s TYR 33 N -0.80 -0.19 0.18 5.02 1.13 0.01 0.14 117.35 122.83 1j4t s TYR 33 Ca 0.09 0.36 0.00 0.00 -1.41 0.00 0.00 57.07 56.12 1j4t s TYR 33 Cb -0.09 0.08 0.00 0.00 -1.10 0.00 0.00 41.96 40.85 1j4t s TYR 33 CO 0.02 -0.31 0.00 1.17 -2.51 0.00 0.00 175.55 173.92 1j4t n LYS 34 N 1.77 0.00 0.00 -3.49 3.00 -1.26 -0.82 118.16 117.37 1j4t n LYS 34 Ca -0.19 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.24 1j4t n LYS 34 Cb 0.56 0.00 0.58 0.00 0.00 0.00 0.00 35.03 36.17 1j4t n LYS 34 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1j4t n GLU 35 N -2.87 0.09 -3.84 1.64 4.71 -1.26 -4.05 120.64 115.07 1j4t n GLU 35 Ca 0.00 0.05 -0.09 0.00 -0.01 0.00 0.00 57.16 57.11 1j4t n GLU 35 Cb 0.00 -1.50 -0.05 0.00 -1.01 0.00 0.00 31.44 28.88 1j4t n GLU 35 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1j4t s ALA 36 N -2.90 -0.57 0.01 0.62 0.00 -1.26 -3.36 121.76 114.30 1j4t s ALA 36 Ca 0.15 -0.50 -0.30 0.00 0.00 0.00 0.00 51.96 51.31 1j4t s ALA 36 Cb 0.17 0.87 -0.05 0.00 0.00 0.00 0.00 23.12 24.12 1j4t s ALA 36 CO 0.46 -0.76 1.20 0.42 0.00 0.00 0.00 175.76 177.08 1j4t s ILE 37 N -3.92 4.13 0.00 0.00 -1.09 -0.72 -4.40 121.20 115.21 1j4t s ILE 37 Ca 0.13 1.50 0.00 0.00 -2.23 0.00 0.00 60.65 60.05 1j4t s ILE 37 Cb 0.00 -3.96 0.00 0.00 -1.58 0.00 0.00 42.46 36.92 1j4t s ILE 37 CO -0.01 0.07 0.00 0.61 -1.23 0.00 0.00 174.94 174.38 1j4t n GLY 38 N 3.29 -0.22 3.83 6.18 0.00 0.12 -2.40 105.19 115.98 1j4t n GLY 38 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 1j4t n GLY 38 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j4t s SER 39 N -3.35 6.95 -0.16 1.61 0.01 -1.23 -2.26 113.70 115.27 1j4t s SER 39 Ca 0.00 1.21 -0.05 0.00 1.31 0.00 0.00 55.95 58.42 1j4t s SER 39 Cb 0.00 -2.34 0.08 0.00 0.21 0.00 0.00 66.02 63.97 1j4t s SER 39 CO 0.00 0.14 0.30 0.12 0.41 0.00 0.00 173.24 174.21 1j4t s PHE 40 N -1.37 -0.53 -0.14 2.43 5.36 -0.97 -1.77 117.98 121.00 1j4t s PHE 40 Ca 0.36 0.98 -0.15 0.00 -0.96 0.00 0.00 56.93 57.16 1j4t s PHE 40 Cb -0.17 -0.00 0.04 0.00 -0.34 0.00 0.00 43.02 42.55 1j4t s PHE 40 CO 0.20 -0.45 0.41 -1.54 -1.46 0.00 0.00 175.22 172.38 1j4t s SER 41 N 2.46 -0.41 -0.00 6.13 1.04 -0.91 -3.00 113.70 119.00 1j4t s SER 41 Ca 0.03 0.75 0.05 0.00 0.48 0.00 0.00 55.95 57.26 1j4t s SER 41 Cb -0.13 0.78 -0.01 0.00 0.10 0.00 0.00 66.02 66.76 1j4t s SER 41 CO -0.11 -0.19 -0.16 0.54 0.98 0.00 0.00 173.24 174.30 1j4t s VAL 42 N 0.02 1.29 -0.48 5.02 0.11 -1.26 -1.45 120.40 123.64 1j4t s VAL 42 Ca -0.02 -0.77 -0.19 0.00 -2.93 0.00 0.00 61.98 58.08 1j4t s VAL 42 Cb -0.03 -1.08 0.05 0.00 -1.53 0.00 0.00 36.38 33.78 1j4t s VAL 42 CO 0.01 0.31 0.60 -0.63 -3.33 0.00 0.00 175.10 172.05 1j4t s ILE 43 N -0.47 4.90 0.85 7.04 -1.09 -0.76 -1.24 121.20 130.44 1j4t s ILE 43 Ca 0.06 -0.36 -0.07 0.00 -2.23 0.00 0.00 60.65 58.05 1j4t s ILE 43 Cb -0.07 -4.24 0.18 0.00 -1.58 0.00 0.00 42.46 36.76 1j4t s ILE 43 CO -0.00 -0.70 1.17 -0.31 -1.23 0.00 0.00 174.94 173.86 1j4t s TYR 44 N 2.58 1.26 -0.18 3.97 2.02 0.21 -2.34 117.35 124.87 1j4t s TYR 44 Ca 0.16 -0.13 -0.02 0.00 -0.37 0.00 0.00 57.07 56.70 1j4t s TYR 44 Cb -0.18 -3.52 -0.01 0.00 -0.40 0.00 0.00 41.96 37.85 1j4t s TYR 44 CO 0.13 -2.28 -0.08 0.34 -1.57 0.00 0.00 175.55 172.09 1j4t s ASP 45 N -4.87 4.17 -0.44 2.29 2.15 -1.09 -0.39 116.67 118.50 1j4t s ASP 45 Ca 0.72 -0.36 -0.00 0.00 0.43 0.00 0.00 52.55 53.33 1j4t s ASP 45 Cb -0.03 -1.68 0.12 0.00 -0.30 0.00 0.00 42.92 41.02 1j4t s ASP 45 CO 0.49 0.06 0.21 -0.22 -0.17 0.00 0.00 175.17 175.54 1j4t s LEU 46 N 0.98 5.02 -1.29 -1.34 2.96 -0.48 -0.15 118.68 124.38 1j4t s LEU 46 Ca -0.01 -2.31 -0.17 0.00 -0.22 0.00 0.00 54.13 51.42 1j4t s LEU 46 Cb -0.15 -1.76 0.01 0.00 0.50 0.00 0.00 46.19 44.79 1j4t s LEU 46 CO -0.00 -0.44 0.55 0.59 -1.32 0.00 0.00 176.35 175.72 1j4t n ASN 47 N 4.16 -2.78 0.00 3.68 4.13 -1.26 -1.97 115.26 121.21 1j4t n ASN 47 Ca 0.02 -1.15 0.00 0.00 1.68 0.00 0.00 54.58 55.13 1j4t n ASN 47 Cb 0.40 -2.48 0.00 0.00 -1.54 0.00 0.00 39.78 36.16 1j4t n ASN 47 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1j4t n GLY 48 N -2.03 2.98 3.62 7.41 0.00 -1.26 -5.02 105.19 110.89 1j4t n GLY 48 Ca -0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 1j4t n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j4t s ASP 49 N -1.35 4.59 -0.02 1.61 1.01 -0.83 -5.09 116.67 116.59 1j4t s ASP 49 Ca 0.00 -0.37 -0.30 0.00 0.71 0.00 0.00 52.55 52.58 1j4t s ASP 49 Cb 0.00 -0.93 -0.05 0.00 1.01 0.00 0.00 42.92 42.95 1j4t s ASP 49 CO 0.00 0.14 1.31 -2.84 0.21 0.00 0.00 175.17 173.99 1j4t s PRO 50 N -2.49 4.32 -0.18 8.23 0.02 -1.26 -1.38 135.00 142.25 1j4t s PRO 50 Ca 0.24 1.83 0.01 0.00 0.02 0.00 0.00 61.00 63.10 1j4t s PRO 50 Cb -0.10 -3.55 0.02 0.00 0.02 0.00 0.00 34.50 30.88 1j4t s PRO 50 CO 0.16 -0.51 -0.19 0.12 -0.33 0.00 0.00 177.00 176.26 1j4t s PHE 51 N 2.26 2.79 -0.36 6.54 5.36 0.48 -4.89 117.98 130.16 1j4t s PHE 51 Ca 0.60 -1.57 -0.29 0.00 -0.96 0.00 0.00 56.93 54.71 1j4t s PHE 51 Cb -0.28 -1.93 0.00 0.00 -0.34 0.00 0.00 43.02 40.46 1j4t s PHE 51 CO 0.25 -0.78 1.47 -1.12 -1.46 0.00 0.00 175.22 173.58 1j4t s SER 52 N 1.29 6.33 1.04 6.13 0.01 -1.26 -0.62 113.70 126.61 1j4t s SER 52 Ca 0.05 1.04 -0.12 0.00 1.31 0.00 0.00 55.95 58.22 1j4t s SER 52 Cb -0.13 -2.54 0.21 0.00 0.21 0.00 0.00 66.02 63.77 1j4t s SER 52 CO -0.12 -1.40 1.07 -0.83 0.41 0.00 0.00 173.24 172.37 1j4t s GLY 53 N 4.11 1.58 0.42 3.44 0.00 -0.37 -4.92 107.32 111.58 1j4t s GLY 53 Ca 0.64 -0.10 -0.26 0.00 0.00 0.00 0.00 44.72 45.00 1j4t s GLY 53 CO 0.31 0.51 1.43 -4.14 0.00 0.00 0.00 173.10 171.20 1j4t s PRO 54 N -4.72 3.85 -0.05 2.90 0.02 -1.26 -4.75 135.00 130.99 1j4t s PRO 54 Ca 0.66 2.42 -0.25 0.00 0.02 0.00 0.00 61.00 63.85 1j4t s PRO 54 Cb -0.21 -2.76 -0.03 0.00 0.02 0.00 0.00 34.50 31.51 1j4t s PRO 54 CO 0.60 -0.69 0.78 0.15 -0.33 0.00 0.00 177.00 177.52 1j4t s LYS 55 N -2.32 4.47 -0.98 5.54 -0.14 -1.26 -4.66 119.74 120.39 1j4t s LYS 55 Ca 0.58 1.04 -0.04 0.00 -1.36 0.00 0.00 55.97 56.19 1j4t s LYS 55 Cb -0.44 -3.45 0.25 0.00 -1.68 0.00 0.00 37.83 32.51 1j4t s LYS 55 CO 0.57 0.03 0.94 0.72 -0.76 0.00 0.00 175.35 176.85 1j4t n HIS 56 N 3.82 4.52 -1.97 3.18 8.25 -1.16 -5.03 115.22 126.83 1j4t n HIS 56 Ca 0.01 -3.99 -0.32 0.00 -0.26 0.00 0.00 57.72 53.16 1j4t n HIS 56 Cb 0.51 -1.34 0.02 0.00 1.12 0.00 0.00 29.99 30.30 1j4t n HIS 56 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1j4t s THR 57 N -1.45 3.81 0.19 1.59 -4.23 -1.26 -2.29 115.64 112.00 1j4t s THR 57 Ca 0.29 0.82 0.11 0.00 -1.18 0.00 0.00 61.69 61.73 1j4t s THR 57 Cb -0.07 -3.37 -0.04 0.00 1.34 0.00 0.00 72.50 70.36 1j4t s THR 57 CO -0.10 -0.54 -0.23 -0.55 -0.54 0.00 0.00 174.62 172.65 1j4t s SER 58 N -2.91 3.33 -0.15 3.99 0.15 -1.26 -4.91 113.70 111.93 1j4t s SER 58 Ca 0.63 -0.86 -0.10 0.00 0.70 0.00 0.00 55.95 56.32 1j4t s SER 58 Cb -0.16 -0.24 -0.23 0.00 -1.71 0.00 0.00 66.02 63.68 1j4t s SER 58 CO 0.39 0.10 0.27 2.29 1.20 0.00 0.00 173.24 177.50 1j4t n LYS 59 N 0.30 0.70 -1.06 5.44 0.00 -1.26 -4.97 118.16 117.31 1j4t n LYS 59 Ca -0.13 0.33 -0.34 0.00 -0.00 0.00 0.00 58.31 58.17 1j4t n LYS 59 Cb 0.56 -1.70 0.01 0.00 -0.00 0.00 0.00 35.03 33.90 1j4t n LYS 59 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1j4t n LEU 60 N -3.72 -3.66 -1.37 -5.58 7.99 -1.26 -4.82 117.00 104.58 1j4t n LEU 60 Ca -0.34 0.50 -0.01 0.00 -0.01 0.00 0.00 56.01 56.15 1j4t n LEU 60 Cb 0.95 -0.74 0.00 0.00 -0.11 0.00 0.00 43.42 43.53 1j4t n LEU 60 CO 0.35 -4.45 0.86 -0.81 -1.51 0.00 0.00 177.39 171.82 1j4t n PRO 61 N 1.50 1.06 -1.39 3.23 -0.04 -1.26 -5.00 135.00 133.11 1j4t n PRO 61 Ca 0.05 -0.12 -0.33 0.00 -0.04 0.00 0.00 63.50 63.06 1j4t n PRO 61 Cb 0.43 -1.05 0.09 0.00 -0.04 0.00 0.00 33.50 32.93 1j4t n PRO 61 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1j4t s TYR 62 N -0.14 2.20 0.27 0.54 1.51 -1.26 -5.03 117.35 115.45 1j4t s TYR 62 Ca 0.02 1.61 -0.19 0.00 -1.01 0.00 0.00 57.07 57.51 1j4t s TYR 62 Cb 0.02 -3.32 -0.09 0.00 -0.11 0.00 0.00 41.96 38.46 1j4t s TYR 62 CO 0.00 -2.29 0.76 -1.59 -1.11 0.00 0.00 175.55 171.32 1j4t s LYS 63 N -4.19 4.21 -0.03 -0.62 0.00 0.00 -4.66 119.74 114.47 1j4t s LYS 63 Ca 0.70 0.87 -0.03 0.00 0.00 0.00 0.00 55.97 57.52 1j4t s LYS 63 Cb -0.24 -2.70 -0.04 0.00 0.00 0.00 0.00 37.83 34.85 1j4t s LYS 63 CO 0.47 0.29 0.14 -0.80 0.00 0.00 0.00 175.35 175.45 1j4t s ASN 64 N -1.86 6.12 0.15 0.03 -0.87 -1.26 -0.81 114.94 116.43 1j4t s ASN 64 Ca 0.48 0.29 0.07 0.00 -1.57 0.00 0.00 52.86 52.14 1j4t s ASN 64 Cb -0.14 -1.87 -0.04 0.00 -0.02 0.00 0.00 41.25 39.17 1j4t s ASN 64 CO 0.20 0.29 -0.16 -0.69 -2.57 0.00 0.00 177.10 174.16 1j4t s VAL 65 N -1.23 1.61 -0.26 1.60 1.01 0.00 -4.98 120.40 118.15 1j4t s VAL 65 Ca 0.24 -1.85 0.01 0.00 0.00 0.00 0.00 61.98 60.38 1j4t s VAL 65 Cb -0.12 -1.73 0.07 0.00 0.00 0.00 0.00 36.38 34.60 1j4t s VAL 65 CO 0.15 -0.37 -0.02 -0.54 0.00 0.00 0.00 175.10 174.32 1j4t s LYS 66 N -2.79 1.45 -0.55 2.72 1.02 -1.26 -2.01 119.74 118.31 1j4t s LYS 66 Ca 0.13 -1.11 -0.20 0.00 0.02 0.00 0.00 55.97 54.81 1j4t s LYS 66 Cb -0.05 -2.58 0.07 0.00 -0.52 0.00 0.00 37.83 34.75 1j4t s LYS 66 CO 0.05 -0.70 0.71 0.42 -0.92 0.00 0.00 175.35 174.91 1j4t s ILE 67 N 1.37 4.77 -0.42 2.17 1.01 0.16 -4.94 121.20 125.32 1j4t s ILE 67 Ca -0.01 -0.60 -0.15 0.00 0.00 0.00 0.00 60.65 59.89 1j4t s ILE 67 Cb -0.19 -4.42 0.03 0.00 0.01 0.00 0.00 42.46 37.89 1j4t s ILE 67 CO -0.09 -1.01 0.31 -1.83 0.00 0.00 0.00 174.94 172.32 1j4t s GLU 68 N 2.89 2.95 0.36 2.79 -1.05 -1.26 0.53 118.70 125.90 1j4t s GLU 68 Ca 0.16 -1.08 -0.26 0.00 -0.15 0.00 0.00 54.97 53.64 1j4t s GLU 68 Cb -0.20 -3.98 -0.09 0.00 -0.44 0.00 0.00 34.13 29.41 1j4t s GLU 68 CO 0.10 -0.79 1.03 -0.51 0.95 0.00 0.00 175.26 176.04 1j4t s LEU 69 N 1.66 4.28 -1.27 1.83 2.01 -0.56 -4.96 118.68 121.67 1j4t s LEU 69 Ca 0.05 2.03 -0.16 0.00 0.01 0.00 0.00 54.13 56.06 1j4t s LEU 69 Cb -0.20 -4.03 0.12 0.00 0.01 0.00 0.00 46.19 42.09 1j4t s LEU 69 CO 0.09 -0.31 1.63 2.29 1.01 0.00 0.00 176.35 181.06 1j4t n LYS 70 N 0.35 3.27 -2.94 1.70 2.85 -1.26 -4.81 118.16 117.32 1j4t n LYS 70 Ca 0.03 -3.51 -0.34 0.00 -1.05 0.00 0.00 58.31 53.44 1j4t n LYS 70 Cb 0.49 -3.28 -0.06 0.00 -0.65 0.00 0.00 35.03 31.52 1j4t n LYS 70 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 177.40 177.47 1j4t s PHE 71 N 2.93 3.48 -2.20 5.58 2.19 -1.26 -0.71 117.98 128.00 1j4t s PHE 71 Ca 0.49 1.52 0.21 0.00 0.33 0.00 0.00 56.93 59.48 1j4t s PHE 71 Cb 0.02 -2.75 0.54 0.00 -1.31 0.00 0.00 43.02 39.52 1j4t s PHE 71 CO 0.04 0.10 1.46 -0.35 1.83 0.00 0.00 175.22 178.31 1j4t n PRO 72 N -0.02 2.47 0.10 10.12 -0.04 -1.26 -4.86 135.00 141.51 1j4t n PRO 72 Ca 0.03 -2.25 -0.01 0.00 -0.04 0.00 0.00 63.50 61.23 1j4t n PRO 72 Cb 0.52 -1.51 -0.03 0.00 -0.04 0.00 0.00 33.50 32.45 1j4t n PRO 72 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1j4t h ASP 73 N 3.97 0.00 -3.69 3.54 3.32 -1.96 -3.44 116.42 118.16 1j4t h ASP 73 Ca 0.00 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 56.37 1j4t h ASP 73 Cb 0.89 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.23 1j4t h ASP 73 CO 0.00 0.65 -0.72 -0.70 -1.72 0.00 0.00 179.24 176.75 1j4t s GLU 74 N -2.88 2.84 0.05 3.56 2.12 0.11 -4.87 118.70 119.63 1j4t s GLU 74 Ca 0.02 -0.60 -0.21 0.00 0.36 0.00 0.00 54.97 54.54 1j4t s GLU 74 Cb 0.08 -2.57 0.05 0.00 0.26 0.00 0.00 34.13 31.95 1j4t s GLU 74 CO 0.78 0.57 0.49 -0.59 -0.54 0.00 0.00 175.26 175.96 1j4t s PHE 75 N -0.56 -0.37 0.04 5.30 -0.12 -1.26 -4.17 117.98 116.83 1j4t s PHE 75 Ca 0.08 0.38 -0.30 0.00 -0.05 0.00 0.00 56.93 57.04 1j4t s PHE 75 Cb -0.12 0.31 -0.09 0.00 -0.63 0.00 0.00 43.02 42.49 1j4t s PHE 75 CO 0.02 -0.63 1.94 -0.51 -0.05 0.00 0.00 175.22 175.98 1j4t s LEU 76 N -2.02 4.43 0.01 -1.99 1.02 -1.26 -2.14 118.68 116.72 1j4t s LEU 76 Ca -0.05 2.65 0.22 0.00 0.02 0.00 0.00 54.13 56.97 1j4t s LEU 76 Cb -0.01 -3.53 -0.16 0.00 0.02 0.00 0.00 46.19 42.51 1j4t s LEU 76 CO -0.02 -1.04 0.83 -1.84 0.02 0.00 0.00 176.35 174.29 1j4t n GLU 77 N 7.39 0.29 -3.70 1.70 0.28 -0.06 -4.81 120.64 121.72 1j4t n GLU 77 Ca 0.20 -0.06 -0.14 0.00 -0.16 0.00 0.00 57.16 57.00 1j4t n GLU 77 Cb 0.41 -1.54 -0.09 0.00 1.43 0.00 0.00 31.44 31.65 1j4t n GLU 77 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1j4t s SER 78 N -3.75 -0.43 -0.14 -1.84 0.15 -1.08 -0.03 113.70 106.59 1j4t s SER 78 Ca 0.02 0.70 -0.01 0.00 0.70 0.00 0.00 55.95 57.36 1j4t s SER 78 Cb 0.15 0.74 0.04 0.00 -1.71 0.00 0.00 66.02 65.24 1j4t s SER 78 CO 0.86 -0.28 -0.03 -0.69 1.20 0.00 0.00 173.24 174.29 1j4t s VAL 79 N -0.31 0.83 0.13 4.45 1.01 -0.98 -2.61 120.40 122.93 1j4t s VAL 79 Ca -0.05 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.61 1j4t s VAL 79 Cb -0.03 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1j4t s VAL 79 CO 0.03 0.15 -0.10 -0.94 0.00 0.00 0.00 175.10 174.24 1j4t s SER 80 N 1.76 1.72 0.00 3.32 1.04 -0.88 -0.69 113.70 119.97 1j4t s SER 80 Ca 0.02 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.50 1j4t s SER 80 Cb -0.14 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 65.97 1j4t s SER 80 CO -0.07 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.45 1j4t n GLY 81 N 0.04 0.35 1.47 7.32 0.00 -0.99 0.47 105.19 113.84 1j4t n GLY 81 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1j4t n GLY 81 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1j4t n TYR 82 N 0.00 -1.87 -4.67 1.61 4.01 -1.24 -2.16 117.16 112.84 1j4t n TYR 82 Ca 0.00 1.11 -0.33 0.00 -0.16 0.00 0.00 57.90 58.52 1j4t n TYR 82 Cb 0.02 -2.71 -0.12 0.00 -0.31 0.00 0.00 39.34 36.23 1j4t n TYR 82 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1j4t s THR 83 N -0.23 3.41 -0.29 -0.72 2.01 0.94 -1.76 115.64 119.00 1j4t s THR 83 Ca 0.00 -0.69 -0.35 0.00 0.31 0.00 0.00 61.69 60.96 1j4t s THR 83 Cb 0.00 -2.40 0.17 0.00 0.01 0.00 0.00 72.50 70.28 1j4t s THR 83 CO 0.00 0.52 1.39 -0.83 -0.69 0.00 0.00 174.62 175.01 1j4t s GLY 84 N -1.00 -0.08 0.99 4.40 0.00 -0.83 -1.34 107.32 109.47 1j4t s GLY 84 Ca 0.14 2.30 -0.13 0.00 0.00 0.00 0.00 44.72 47.03 1j4t s GLY 84 CO 0.03 0.82 1.11 -4.14 0.00 0.00 0.00 173.10 170.92 1j4t s PRO 85 N -1.64 0.49 -0.20 2.90 0.02 -1.26 -0.81 135.00 134.51 1j4t s PRO 85 Ca 0.11 0.41 -0.04 0.00 0.02 0.00 0.00 61.00 61.50 1j4t s PRO 85 Cb -0.01 -1.75 0.10 0.00 0.02 0.00 0.00 34.50 32.85 1j4t s PRO 85 CO -0.05 -2.66 0.25 0.12 -0.33 0.00 0.00 177.00 174.32 1j4t s PHE 86 N -3.06 -0.36 0.14 6.54 5.36 -1.18 -4.83 117.98 120.59 1j4t s PHE 86 Ca 0.65 0.37 -0.02 0.00 -0.96 0.00 0.00 56.93 56.98 1j4t s PHE 86 Cb -0.17 -0.28 -0.08 0.00 -0.34 0.00 0.00 43.02 42.14 1j4t s PHE 86 CO 0.56 -0.59 1.31 0.77 -1.46 0.00 0.00 175.22 175.81 1j4t h SER 87 N 8.29 0.41 0.47 6.13 0.02 -1.94 -0.86 113.55 126.06 1j4t h SER 87 Ca -0.17 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 1j4t h SER 87 Cb 1.15 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.56 1j4t h SER 87 CO 0.27 1.15 0.00 0.00 -1.14 0.00 0.00 176.83 177.11 1j4t n ALA 88 N -2.51 1.53 0.63 3.77 0.00 -1.26 0.24 120.51 122.92 1j4t n ALA 88 Ca -0.06 0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.49 1j4t n ALA 88 Cb 0.85 -1.26 0.10 0.00 0.00 0.00 0.00 19.45 19.14 1j4t n ALA 88 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1j4t n LEU 89 N -1.77 2.68 -3.43 0.00 7.99 -1.13 -4.99 117.00 116.34 1j4t n LEU 89 Ca 0.02 -1.13 -0.17 0.00 -0.01 0.00 0.00 56.01 54.71 1j4t n LEU 89 Cb 0.16 -0.05 0.08 0.00 -0.11 0.00 0.00 43.42 43.49 1j4t n LEU 89 CO 0.13 0.50 0.06 0.00 -1.51 0.00 0.00 177.39 176.58 1j4t n ALA 90 N 1.06 -2.15 -3.69 -1.18 0.00 0.66 -5.00 120.51 110.21 1j4t n ALA 90 Ca 0.12 -0.03 -0.29 0.00 0.00 0.00 0.00 53.44 53.24 1j4t n ALA 90 Cb 0.47 -3.22 -0.17 0.00 0.00 0.00 0.00 19.45 16.53 1j4t n ALA 90 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1j4t s THR 91 N -3.41 1.54 0.06 0.00 -1.32 -0.38 -4.98 115.64 107.16 1j4t s THR 91 Ca 0.12 -0.66 0.14 0.00 -1.21 0.00 0.00 61.69 60.08 1j4t s THR 91 Cb -0.02 -1.41 0.03 0.00 -1.51 0.00 0.00 72.50 69.59 1j4t s THR 91 CO 0.75 0.45 1.54 1.55 -2.21 0.00 0.00 174.62 176.69 1j4t h PRO 92 N 7.46 0.00 -6.59 7.08 0.13 -1.95 -3.11 132.00 135.02 1j4t h PRO 92 Ca -0.32 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.30 1j4t h PRO 92 Cb 1.17 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 1j4t h PRO 92 CO 0.50 0.56 0.11 -0.08 -0.23 0.00 0.00 178.00 178.86 1j4t s THR 93 N -3.22 4.58 0.13 1.56 -1.32 -1.26 -4.86 115.64 111.25 1j4t s THR 93 Ca 0.01 1.24 -0.35 0.00 -1.21 0.00 0.00 61.69 61.39 1j4t s THR 93 Cb 0.10 -3.83 -0.17 0.00 -1.51 0.00 0.00 72.50 67.10 1j4t s THR 93 CO 0.74 0.15 1.15 -2.65 -2.21 0.00 0.00 174.62 171.81 1j4t n PRO 94 N 0.58 0.90 -4.47 7.08 -0.02 -1.26 -4.41 135.00 133.40 1j4t n PRO 94 Ca -0.02 0.32 -0.22 0.00 -2.02 0.00 0.00 63.50 61.56 1j4t n PRO 94 Cb 0.51 -1.83 -0.11 0.00 -0.02 0.00 0.00 33.50 32.06 1j4t n PRO 94 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1j4t s VAL 95 N -0.04 1.39 -0.41 -1.45 0.11 0.01 -2.62 120.40 117.38 1j4t s VAL 95 Ca 0.78 -2.02 -0.18 0.00 -2.93 0.00 0.00 61.98 57.63 1j4t s VAL 95 Cb -0.95 -2.77 0.02 0.00 -1.53 0.00 0.00 36.38 31.15 1j4t s VAL 95 CO 0.52 -0.05 0.51 -0.69 -3.33 0.00 0.00 175.10 172.05 1j4t s VAL 96 N -3.16 5.00 -0.13 2.04 1.01 -0.40 -1.96 120.40 122.79 1j4t s VAL 96 Ca 0.35 -0.09 -0.20 0.00 0.00 0.00 0.00 61.98 62.04 1j4t s VAL 96 Cb 0.08 -4.07 -0.18 0.00 0.00 0.00 0.00 36.38 32.21 1j4t s VAL 96 CO 0.15 -0.44 0.50 0.03 0.00 0.00 0.00 175.10 175.34 1j4t h ARG 97 N 8.73 0.00 -5.61 2.72 2.47 -1.59 -1.90 114.38 119.21 1j4t h ARG 97 Ca -0.26 0.00 -0.58 0.00 -1.26 0.00 0.00 59.98 57.87 1j4t h ARG 97 Cb 1.11 0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 29.30 1j4t h ARG 97 CO 0.82 0.70 -0.62 0.45 0.56 0.00 0.00 179.97 181.88 1j4t s SER 98 N -6.07 3.46 -0.30 7.04 0.15 -0.92 -2.65 113.70 114.41 1j4t s SER 98 Ca -0.14 -1.33 -0.09 0.00 0.70 0.00 0.00 55.95 55.09 1j4t s SER 98 Cb -0.01 -0.31 0.17 0.00 -1.71 0.00 0.00 66.02 64.16 1j4t s SER 98 CO 0.48 -0.43 0.81 -0.22 1.20 0.00 0.00 173.24 175.08 1j4t s LEU 99 N -3.63 -0.93 -0.15 3.45 2.96 -1.08 -4.34 118.68 114.97 1j4t s LEU 99 Ca 0.34 0.85 -0.00 0.00 -0.22 0.00 0.00 54.13 55.10 1j4t s LEU 99 Cb 0.08 1.89 -0.01 0.00 0.50 0.00 0.00 46.19 48.65 1j4t s LEU 99 CO 0.17 -0.17 -0.13 0.28 -1.32 0.00 0.00 176.35 175.17 1j4t s THR 100 N 2.79 2.91 0.06 3.68 -1.32 0.18 -1.78 115.64 122.16 1j4t s THR 100 Ca 0.05 -0.69 0.04 0.00 -1.21 0.00 0.00 61.69 59.88 1j4t s THR 100 Cb -0.11 -2.23 -0.04 0.00 -1.51 0.00 0.00 72.50 68.61 1j4t s THR 100 CO -0.17 0.51 -0.01 -0.36 -2.21 0.00 0.00 174.62 172.38 1j4t s PHE 101 N 0.68 2.99 -0.01 9.09 0.08 -1.08 -2.08 117.98 127.64 1j4t s PHE 101 Ca -0.07 -0.01 0.00 0.00 0.12 0.00 0.00 56.93 56.98 1j4t s PHE 101 Cb -0.15 -1.57 0.02 0.00 -0.57 0.00 0.00 43.02 40.74 1j4t s PHE 101 CO 0.02 0.46 0.00 0.21 -0.10 0.00 0.00 175.22 175.82 1j4t s LYS 102 N -2.05 0.11 0.07 0.44 2.20 -1.07 -1.32 119.74 118.12 1j4t s LYS 102 Ca 0.23 0.06 0.03 0.00 -0.36 0.00 0.00 55.97 55.93 1j4t s LYS 102 Cb -0.12 -0.25 -0.04 0.00 -1.51 0.00 0.00 37.83 35.92 1j4t s LYS 102 CO 0.15 -0.08 0.09 0.95 -0.36 0.00 0.00 175.35 176.10 1j4t s THR 103 N 0.59 4.60 0.65 3.43 -4.23 -0.63 -0.88 115.64 119.17 1j4t s THR 103 Ca -0.05 -0.71 0.20 0.00 -1.18 0.00 0.00 61.69 59.95 1j4t s THR 103 Cb -0.08 -3.21 0.23 0.00 1.34 0.00 0.00 72.50 70.78 1j4t s THR 103 CO -0.01 0.14 1.57 -0.55 -0.54 0.00 0.00 174.62 175.23 1j4t h ASN 104 N 3.35 0.00 -0.26 3.99 -0.00 -1.75 0.31 115.58 121.22 1j4t h ASN 104 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.83 1j4t h ASN 104 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.48 1j4t h ASN 104 CO 0.66 0.00 0.00 0.29 -0.00 0.00 0.00 177.43 178.38 1j4t n LYS 105 N -2.93 2.09 0.00 4.14 4.76 -1.26 -4.88 118.16 120.07 1j4t n LYS 105 Ca 0.03 -1.14 0.00 0.00 -2.87 0.00 0.00 58.31 54.33 1j4t n LYS 105 Cb 0.74 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.43 1j4t n LYS 105 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1j4t n GLY 106 N 0.62 2.62 3.77 0.72 0.00 0.11 -5.03 105.19 108.00 1j4t n GLY 106 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 1j4t n GLY 106 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j4t s ARG 107 N -0.19 3.65 -0.04 1.61 0.52 -1.25 -4.82 118.95 118.42 1j4t s ARG 107 Ca 0.00 1.79 -0.01 0.00 -0.52 0.00 0.00 55.73 56.99 1j4t s ARG 107 Cb 0.00 -2.34 0.03 0.00 0.52 0.00 0.00 34.95 33.16 1j4t s ARG 107 CO 0.00 -0.65 0.01 -0.08 0.02 0.00 0.00 175.30 174.61 1j4t s THR 108 N -1.56 0.16 -0.61 0.02 -1.32 -1.26 -1.60 115.64 109.47 1j4t s THR 108 Ca 0.66 0.18 -0.17 0.00 -1.21 0.00 0.00 61.69 61.14 1j4t s THR 108 Cb -0.29 -0.31 0.13 0.00 -1.51 0.00 0.00 72.50 70.52 1j4t s THR 108 CO 0.35 0.18 0.64 -0.36 -2.21 0.00 0.00 174.62 173.22 1j4t s PHE 109 N 1.56 3.21 0.03 9.09 0.40 -0.43 -5.00 117.98 126.83 1j4t s PHE 109 Ca -0.02 -1.26 -0.00 0.00 -0.60 0.00 0.00 56.93 55.04 1j4t s PHE 109 Cb -0.13 -3.90 -0.00 0.00 0.51 0.00 0.00 43.02 39.49 1j4t s PHE 109 CO -0.03 -1.14 -0.02 0.41 0.70 0.00 0.00 175.22 175.14 1j4t n GLY 110 N 5.11 -0.12 3.71 4.36 0.00 -1.26 -2.64 105.19 114.35 1j4t n GLY 110 Ca -0.07 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1j4t n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1j4t s PRO 111 N -0.05 4.24 -0.26 1.61 0.04 -1.26 -4.61 135.00 134.70 1j4t s PRO 111 Ca 0.01 2.27 -0.09 0.00 0.04 0.00 0.00 61.00 63.23 1j4t s PRO 111 Cb -0.00 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.18 1j4t s PRO 111 CO 0.02 -0.60 0.12 0.71 0.04 0.00 0.00 177.00 177.29 1j4t s TYR 112 N 1.61 3.15 0.00 0.56 2.02 -0.73 -4.94 117.35 119.02 1j4t s TYR 112 Ca 0.70 -0.18 0.00 0.00 -0.37 0.00 0.00 57.07 57.22 1j4t s TYR 112 Cb -0.40 -2.30 0.00 0.00 -0.40 0.00 0.00 41.96 38.86 1j4t s TYR 112 CO 0.31 -0.26 0.00 0.41 -1.57 0.00 0.00 175.55 174.43 1j4t n GLY 113 N 4.97 0.47 3.63 0.71 0.00 -1.26 -2.63 105.19 111.08 1j4t n GLY 113 Ca -0.15 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.56 1j4t n GLY 113 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j4t s ASP 114 N -1.19 6.22 -0.90 1.61 1.01 -1.21 -4.63 116.67 117.57 1j4t s ASP 114 Ca 0.00 1.89 -0.21 0.00 0.71 0.00 0.00 52.55 54.95 1j4t s ASP 114 Cb 0.00 -2.53 -0.12 0.00 1.01 0.00 0.00 42.92 41.28 1j4t s ASP 114 CO 0.00 -1.35 1.97 -0.62 0.21 0.00 0.00 175.17 175.38 1j4t n GLU 115 N 7.84 1.73 -3.84 8.23 1.02 -1.26 -3.92 120.64 130.43 1j4t n GLU 115 Ca 0.21 -2.02 -0.19 0.00 -0.02 0.00 0.00 57.16 55.14 1j4t n GLU 115 Cb 0.44 -3.03 -0.17 0.00 -0.02 0.00 0.00 31.44 28.66 1j4t n GLU 115 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1j4t s GLU 116 N 4.83 0.34 0.00 3.49 2.12 -1.26 -5.02 118.70 123.20 1j4t s GLU 116 Ca 0.57 0.14 0.00 0.00 0.36 0.00 0.00 54.97 56.04 1j4t s GLU 116 Cb 0.13 -0.65 0.00 0.00 0.26 0.00 0.00 34.13 33.88 1j4t s GLU 116 CO 0.09 -0.22 0.00 0.41 -0.54 0.00 0.00 175.26 175.00 1j4t n GLY 117 N 4.67 0.29 3.51 -1.50 0.00 -1.26 -4.31 105.19 106.58 1j4t n GLY 117 Ca -0.16 -1.36 -0.35 0.00 0.00 0.00 0.00 46.02 44.15 1j4t n GLY 117 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1j4t s THR 118 N -0.43 4.26 0.18 2.61 -1.32 -0.45 -4.82 115.64 115.68 1j4t s THR 118 Ca 0.00 -0.21 -0.30 0.00 -1.21 0.00 0.00 61.69 59.97 1j4t s THR 118 Cb 0.00 -2.93 -0.08 0.00 -1.51 0.00 0.00 72.50 67.97 1j4t s THR 118 CO 0.00 0.42 1.28 -0.47 -2.21 0.00 0.00 174.62 173.65 1j4t s TYR 119 N 0.87 3.30 0.09 9.09 5.04 -1.26 -0.04 117.35 134.44 1j4t s TYR 119 Ca 0.02 1.26 0.08 0.00 -2.44 0.00 0.00 57.07 55.99 1j4t s TYR 119 Cb -0.14 -3.56 -0.03 0.00 0.35 0.00 0.00 41.96 38.58 1j4t s TYR 119 CO 0.02 -1.72 -0.22 -0.59 -1.34 0.00 0.00 175.55 171.70 1j4t s PHE 120 N 0.17 1.92 -0.14 4.97 -0.12 -1.26 -4.83 117.98 118.69 1j4t s PHE 120 Ca 0.56 -0.40 -0.07 0.00 -0.05 0.00 0.00 56.93 56.98 1j4t s PHE 120 Cb -0.35 -1.08 0.06 0.00 -0.63 0.00 0.00 43.02 41.02 1j4t s PHE 120 CO 0.37 0.19 0.33 1.21 -0.05 0.00 0.00 175.22 177.26 1j4t s ASN 121 N -1.67 -0.23 -0.49 1.98 2.47 -1.26 -2.35 114.94 113.38 1j4t s ASN 121 Ca 0.08 0.72 0.03 0.00 0.42 0.00 0.00 52.86 54.12 1j4t s ASN 121 Cb -0.10 0.70 0.13 0.00 -1.45 0.00 0.00 41.25 40.54 1j4t s ASN 121 CO 0.04 -0.20 0.26 -0.22 -3.72 0.00 0.00 177.10 173.26 1j4t s LEU 122 N 1.70 3.64 0.11 3.21 2.96 0.13 -4.99 118.68 125.45 1j4t s LEU 122 Ca -0.06 -2.88 -0.28 0.00 -0.22 0.00 0.00 54.13 50.69 1j4t s LEU 122 Cb -0.10 -1.38 -0.06 0.00 0.50 0.00 0.00 46.19 45.14 1j4t s LEU 122 CO -0.10 -0.24 0.86 -2.16 -1.32 0.00 0.00 176.35 173.39 1j4t s PRO 123 N -0.06 4.63 -0.23 0.98 0.04 -1.26 -2.32 135.00 136.78 1j4t s PRO 123 Ca 0.18 1.28 -0.04 0.00 0.04 0.00 0.00 61.00 62.46 1j4t s PRO 123 Cb -0.24 -3.34 -0.00 0.00 0.04 0.00 0.00 34.50 30.95 1j4t s PRO 123 CO -0.00 0.33 -0.03 0.42 0.04 0.00 0.00 177.00 177.76 1j4t s ILE 124 N -0.35 3.42 -0.13 0.56 1.01 0.96 -4.96 121.20 121.70 1j4t s ILE 124 Ca 0.42 -0.54 -0.20 0.00 0.00 0.00 0.00 60.65 60.33 1j4t s ILE 124 Cb -0.23 -2.59 -0.25 0.00 0.01 0.00 0.00 42.46 39.40 1j4t s ILE 124 CO 0.27 0.37 0.52 -0.08 0.00 0.00 0.00 174.94 176.02 1j4t h GLU 125 N 8.12 0.14 -3.97 2.79 4.81 -1.96 -3.46 114.58 121.05 1j4t h GLU 125 Ca -0.40 -0.24 -0.48 0.00 -0.13 0.00 0.00 59.36 58.11 1j4t h GLU 125 Cb 1.15 0.09 -0.37 0.00 0.63 0.00 0.00 28.75 30.25 1j4t h GLU 125 CO 0.60 1.11 -0.78 1.21 -0.73 0.00 0.00 179.01 180.42 1j4t s ASN 126 N -6.84 1.86 0.00 1.04 2.47 -1.26 -5.11 114.94 107.10 1j4t s ASN 126 Ca -0.22 -0.19 0.00 0.00 0.42 0.00 0.00 52.86 52.87 1j4t s ASN 126 Cb 0.03 -0.64 0.00 0.00 -1.45 0.00 0.00 41.25 39.19 1j4t s ASN 126 CO 0.71 -0.15 0.00 0.61 -3.72 0.00 0.00 177.10 174.55 1j4t n GLY 127 N 5.00 1.71 3.01 1.21 0.00 -1.26 -5.04 105.19 109.82 1j4t n GLY 127 Ca -0.10 -1.37 -0.13 0.00 0.00 0.00 0.00 46.02 44.42 1j4t n GLY 127 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1j4t s LEU 128 N 0.00 0.61 -0.11 0.99 2.96 -0.45 -4.96 118.68 117.72 1j4t s LEU 128 Ca 0.00 0.44 -0.30 0.00 -0.22 0.00 0.00 54.13 54.05 1j4t s LEU 128 Cb 0.00 0.61 -0.01 0.00 0.50 0.00 0.00 46.19 47.28 1j4t s LEU 128 CO 0.00 -0.15 1.05 -0.63 -1.32 0.00 0.00 176.35 175.30 1j4t s ILE 129 N 1.10 4.67 -0.81 6.68 1.01 -1.26 0.27 121.20 132.87 1j4t s ILE 129 Ca -0.08 1.95 0.07 0.00 0.00 0.00 0.00 60.65 62.59 1j4t s ILE 129 Cb -0.10 -4.26 0.09 0.00 0.01 0.00 0.00 42.46 38.20 1j4t s ILE 129 CO -0.07 -0.01 0.82 0.52 0.00 0.00 0.00 174.94 176.20 1j4t n VAL 130 N 4.63 0.22 0.00 2.92 0.31 -0.42 -4.50 118.33 121.49 1j4t n VAL 130 Ca 0.09 -0.61 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 1j4t n VAL 130 Cb 0.48 1.00 0.00 0.00 -0.91 0.00 0.00 33.84 34.41 1j4t n VAL 130 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j4t n GLY 131 N 0.33 1.43 3.19 2.92 0.00 -1.23 -1.67 105.19 110.16 1j4t n GLY 131 Ca 0.05 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 1j4t n GLY 131 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j4t s PHE 132 N -2.00 2.27 0.39 1.61 0.08 -1.26 -0.54 117.98 118.53 1j4t s PHE 132 Ca 0.00 -0.84 0.08 0.00 0.12 0.00 0.00 56.93 56.29 1j4t s PHE 132 Cb 0.00 -1.52 -0.03 0.00 -0.57 0.00 0.00 43.02 40.90 1j4t s PHE 132 CO 0.00 -0.33 0.32 0.21 -0.10 0.00 0.00 175.22 175.32 1j4t s LYS 133 N 0.25 2.55 0.00 0.44 2.20 -0.76 -2.71 119.74 121.72 1j4t s LYS 133 Ca -0.13 -1.49 0.00 0.00 -0.36 0.00 0.00 55.97 53.99 1j4t s LYS 133 Cb -0.16 -2.36 0.00 0.00 -1.51 0.00 0.00 37.83 33.80 1j4t s LYS 133 CO 0.06 -0.08 0.00 0.41 -0.36 0.00 0.00 175.35 175.38 1j4t n GLY 134 N -1.44 -0.64 3.46 5.54 0.00 -0.60 -0.14 105.19 111.37 1j4t n GLY 134 Ca 0.01 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 1j4t n GLY 134 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j4t s ARG 135 N -0.85 0.64 -0.30 1.61 0.52 -0.82 -2.61 118.95 117.15 1j4t s ARG 135 Ca 0.00 0.79 -0.03 0.00 -0.52 0.00 0.00 55.73 55.97 1j4t s ARG 135 Cb 0.00 0.29 0.11 0.00 0.52 0.00 0.00 34.95 35.87 1j4t s ARG 135 CO 0.00 -0.08 0.14 0.99 0.02 0.00 0.00 175.30 176.37 1j4t s THR 136 N 0.40 0.01 0.00 0.02 2.01 -0.86 -0.30 115.64 116.93 1j4t s THR 136 Ca -0.01 -0.94 0.00 0.00 0.31 0.00 0.00 61.69 61.05 1j4t s THR 136 Cb -0.04 -1.03 0.00 0.00 0.01 0.00 0.00 72.50 71.43 1j4t s THR 136 CO -0.01 -0.77 0.00 0.61 -0.69 0.00 0.00 174.62 173.77 1j4t n GLY 137 N 5.05 1.41 0.00 4.40 0.00 -1.26 -2.33 105.19 112.46 1j4t n GLY 137 Ca -0.03 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.02 1j4t n GLY 137 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j4t n ASP 138 N -0.38 1.35 -4.19 1.61 8.00 -1.26 -4.83 116.55 116.84 1j4t n ASP 138 Ca 0.00 -0.43 -0.11 0.00 0.71 0.00 0.00 54.79 54.96 1j4t n ASP 138 Cb 0.00 1.09 -0.10 0.00 -0.02 0.00 0.00 41.12 42.08 1j4t n ASP 138 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1j4t s LEU 139 N -2.63 1.55 -0.68 0.64 1.02 -1.26 -4.22 118.68 113.09 1j4t s LEU 139 Ca 0.01 -1.29 -0.26 0.00 0.02 0.00 0.00 54.13 52.61 1j4t s LEU 139 Cb 0.04 0.28 -0.04 0.00 0.02 0.00 0.00 46.19 46.49 1j4t s LEU 139 CO 0.24 -0.76 1.98 -0.22 0.02 0.00 0.00 176.35 177.61 1j4t s LEU 140 N -3.12 3.25 0.15 1.79 2.96 -0.96 -4.32 118.68 118.43 1j4t s LEU 140 Ca 0.31 0.17 -0.11 0.00 -0.22 0.00 0.00 54.13 54.27 1j4t s LEU 140 Cb 0.07 -2.53 -0.00 0.00 0.50 0.00 0.00 46.19 44.22 1j4t s LEU 140 CO 0.07 -2.61 1.54 0.44 -1.32 0.00 0.00 176.35 174.47 1j4t h ASP 141 N 14.53 0.94 -5.11 3.68 5.19 -0.97 -1.05 116.42 133.63 1j4t h ASP 141 Ca -0.16 -0.38 -0.08 0.00 -0.62 0.00 0.00 57.03 55.79 1j4t h ASP 141 Cb 1.13 -0.26 -0.14 0.00 0.18 0.00 0.00 39.33 40.24 1j4t h ASP 141 CO 1.20 1.11 -0.25 0.00 -3.12 0.00 0.00 179.24 178.18 1j4t s ALA 142 N -4.72 -0.54 -0.00 3.45 0.00 -1.21 -1.26 121.76 117.47 1j4t s ALA 142 Ca -0.12 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1j4t s ALA 142 Cb 0.12 0.52 0.00 0.00 0.00 0.00 0.00 23.12 23.76 1j4t s ALA 142 CO 0.85 -0.53 -0.01 -1.50 0.00 0.00 0.00 175.76 174.57 1j4t s ILE 143 N -3.58 0.10 0.36 0.00 2.07 -0.23 -1.94 121.20 117.98 1j4t s ILE 143 Ca 0.02 -0.03 0.04 0.00 -1.41 0.00 0.00 60.65 59.27 1j4t s ILE 143 Cb 0.03 -0.11 -0.03 0.00 0.13 0.00 0.00 42.46 42.48 1j4t s ILE 143 CO -0.10 0.04 0.14 -0.83 -1.91 0.00 0.00 174.94 172.29 1j4t s GLY 144 N 0.12 2.36 -0.08 1.50 0.00 0.81 -1.78 107.32 110.24 1j4t s GLY 144 Ca -0.01 -1.55 -0.04 0.00 0.00 0.00 0.00 44.72 43.12 1j4t s GLY 144 CO -0.00 -1.72 0.17 -0.42 0.00 0.00 0.00 173.10 171.13 1j4t s ILE 145 N -3.37 -0.05 -0.01 0.90 1.01 -0.12 -1.83 121.20 117.75 1j4t s ILE 145 Ca 0.30 0.17 -0.19 0.00 0.00 0.00 0.00 60.65 60.92 1j4t s ILE 145 Cb 0.04 -0.28 -0.05 0.00 0.01 0.00 0.00 42.46 42.18 1j4t s ILE 145 CO 0.17 0.07 0.56 -1.00 0.00 0.00 0.00 174.94 174.73 1j4t s HIS 146 N 1.17 3.69 0.18 3.97 3.76 0.30 -0.69 115.29 127.67 1j4t s HIS 146 Ca -0.09 1.15 0.07 0.00 -0.15 0.00 0.00 55.06 56.04 1j4t s HIS 146 Cb -0.11 -2.55 -0.04 0.00 1.11 0.00 0.00 32.58 30.98 1j4t s HIS 146 CO -0.07 0.40 -0.14 -1.64 -0.85 0.00 0.00 174.74 172.44 1j4t s MET 147 N -0.32 1.24 0.17 1.40 1.00 0.97 -1.30 119.30 122.45 1j4t s MET 147 Ca 0.29 -1.51 -0.23 0.00 0.00 0.00 0.00 55.69 54.24 1j4t s MET 147 Cb -0.18 -1.01 0.06 0.00 0.00 0.00 0.00 34.83 33.71 1j4t s MET 147 CO 0.16 0.17 0.66 0.45 0.00 0.00 0.00 175.02 176.46 1j4t s SER 148 N -3.15 -0.48 0.00 3.03 0.15 0.14 -3.34 113.70 110.04 1j4t s SER 148 Ca 0.19 -0.12 0.29 0.00 0.70 0.00 0.00 55.95 57.01 1j4t s SER 148 Cb -0.01 0.60 1.20 0.00 -1.71 0.00 0.00 66.02 66.10 1j4t s SER 148 CO 0.05 -1.01 1.83 0.18 1.20 0.00 0.00 173.24 175.49