#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j4u s GLN 3 N 0.00 2.30 -0.03 4.33 -2.07 -1.26 -5.07 119.66 117.86 1j4u s GLN 3 Ca 0.00 -1.73 -0.02 0.00 -1.82 0.00 0.00 55.36 51.79 1j4u s GLN 3 Cb 0.00 -2.09 0.01 0.00 -1.09 0.00 0.00 33.01 29.84 1j4u s GLN 3 CO 0.00 -0.07 0.08 -0.08 -1.32 0.00 0.00 175.29 173.90 1j4u s THR 4 N -2.54 -0.01 -0.34 3.63 -1.32 -1.26 -5.09 115.64 108.72 1j4u s THR 4 Ca 0.41 0.03 -0.40 0.00 -1.21 0.00 0.00 61.69 60.52 1j4u s THR 4 Cb 0.01 -0.12 -0.16 0.00 -1.51 0.00 0.00 72.50 70.72 1j4u s THR 4 CO 0.23 0.01 1.85 -0.38 -2.21 0.00 0.00 174.62 174.13 1j4u n ILE 5 N 3.23 0.23 -4.27 5.08 5.41 -1.22 -4.74 119.36 123.08 1j4u n ILE 5 Ca -0.15 -0.08 -0.34 0.00 1.00 0.00 0.00 62.75 63.18 1j4u n ILE 5 Cb 0.58 -1.16 -0.11 0.00 -0.71 0.00 0.00 39.64 38.24 1j4u n ILE 5 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1j4u s THR 6 N 4.42 4.28 0.08 1.39 2.01 -1.26 -0.96 115.64 125.60 1j4u s THR 6 Ca 1.03 -0.23 0.08 0.00 0.31 0.00 0.00 61.69 62.88 1j4u s THR 6 Cb -1.12 -2.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.49 1j4u s THR 6 CO 0.65 0.51 -0.21 -0.69 -0.69 0.00 0.00 174.62 174.19 1j4u s VAL 7 N 0.04 1.70 0.00 3.82 1.01 0.30 -4.97 120.40 122.29 1j4u s VAL 7 Ca 0.02 -1.39 0.00 0.00 0.00 0.00 0.00 61.98 60.62 1j4u s VAL 7 Cb -0.13 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.74 1j4u s VAL 7 CO 0.02 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.79 1j4u n GLY 8 N 1.43 0.89 0.00 4.51 0.00 -1.26 -2.37 105.19 108.39 1j4u n GLY 8 Ca -0.18 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1j4u n GLY 8 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j4u n SER 9 N 5.82 0.00 -4.80 1.61 7.64 -1.22 -4.94 113.62 117.73 1j4u n SER 9 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.50 1j4u n SER 9 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1j4u n SER 9 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1j4u s TRP 10 N -0.16 3.67 -1.14 1.43 0.51 -0.73 -4.85 118.94 117.68 1j4u s TRP 10 Ca 0.00 0.99 0.00 0.00 -2.12 0.00 0.00 56.10 54.97 1j4u s TRP 10 Cb 0.00 -2.39 0.00 0.00 -0.81 0.00 0.00 33.47 30.27 1j4u s TRP 10 CO 0.00 0.49 0.00 0.41 -0.51 0.00 0.00 176.95 177.34 1j4u n GLY 11 N 2.25 0.47 3.99 0.98 0.00 -1.26 -1.44 105.19 110.18 1j4u n GLY 11 Ca -0.11 -2.21 -0.21 0.00 0.00 0.00 0.00 46.02 43.49 1j4u n GLY 11 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j4u s GLY 12 N 0.00 1.93 0.00 -0.02 0.00 -0.52 -4.88 107.32 103.83 1j4u s GLY 12 Ca 0.00 -1.87 0.13 0.00 0.00 0.00 0.00 44.72 42.98 1j4u s GLY 12 CO 0.00 -1.72 1.38 -1.55 0.00 0.00 0.00 173.10 171.21 1j4u n PRO 13 N -2.03 1.48 -0.67 2.90 -0.04 -1.26 -4.18 135.00 131.20 1j4u n PRO 13 Ca 0.10 -0.73 -0.20 0.00 -0.04 0.00 0.00 63.50 62.62 1j4u n PRO 13 Cb 0.62 -1.26 0.17 0.00 -0.04 0.00 0.00 33.50 32.99 1j4u n PRO 13 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j4u n GLY 14 N 0.92 -2.75 7.00 0.55 0.00 -1.26 -4.90 105.19 104.75 1j4u n GLY 14 Ca 0.11 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.67 1j4u n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j4u n GLY 15 N -2.54 -0.42 3.76 -0.02 0.00 -1.26 -4.67 105.19 100.04 1j4u n GLY 15 Ca 0.10 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 1j4u n GLY 15 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1j4u s ASN 16 N -4.00 5.79 0.79 1.61 0.02 0.27 -4.79 114.94 114.62 1j4u s ASN 16 Ca 0.00 0.28 -0.11 0.00 -1.02 0.00 0.00 52.86 52.01 1j4u s ASN 16 Cb 0.00 -1.80 0.07 0.00 0.02 0.00 0.00 41.25 39.54 1j4u s ASN 16 CO 0.00 0.36 1.09 -0.83 0.02 0.00 0.00 177.10 177.74 1j4u s GLY 17 N -0.77 1.65 -0.11 0.66 0.00 -1.26 -1.38 107.32 106.10 1j4u s GLY 17 Ca 0.13 0.03 -0.29 0.00 0.00 0.00 0.00 44.72 44.58 1j4u s GLY 17 CO 0.03 0.42 0.69 0.66 0.00 0.00 0.00 173.10 174.90 1j4u s TRP 18 N -3.01 -0.69 -0.15 1.90 1.48 0.96 -4.87 118.94 114.56 1j4u s TRP 18 Ca 0.61 1.34 -0.04 0.00 -1.06 0.00 0.00 56.10 56.95 1j4u s TRP 18 Cb -0.16 0.37 0.05 0.00 -1.16 0.00 0.00 33.47 32.58 1j4u s TRP 18 CO 0.56 -0.55 0.08 0.34 -4.06 0.00 0.00 176.95 173.32 1j4u s ASP 19 N -0.77 2.18 0.27 -2.66 3.68 -1.26 -0.71 116.67 117.40 1j4u s ASP 19 Ca -0.08 -0.51 0.25 0.00 2.13 0.00 0.00 52.55 54.35 1j4u s ASP 19 Cb -0.01 -0.25 0.91 0.00 -1.45 0.00 0.00 42.92 42.11 1j4u s ASP 19 CO 0.08 -0.33 1.75 -0.33 0.13 0.00 0.00 175.17 176.47 1j4u h GLU 20 N 8.41 0.00 0.00 4.34 5.08 -1.84 -3.49 114.58 127.07 1j4u h GLU 20 Ca -0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1j4u h GLU 20 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1j4u h GLU 20 CO 0.27 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.69 1j4u n GLY 21 N 0.58 -1.79 3.74 -3.84 0.00 -1.25 -4.95 105.19 97.68 1j4u n GLY 21 Ca 0.03 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 43.84 1j4u n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j4u s SER 22 N -4.00 5.42 0.00 1.61 0.01 -1.26 -4.18 113.70 111.29 1j4u s SER 22 Ca 0.00 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.33 1j4u s SER 22 Cb 0.00 -1.49 0.00 0.00 0.21 0.00 0.00 66.02 64.74 1j4u s SER 22 CO 0.00 0.27 0.00 -1.22 0.41 0.00 0.00 173.24 172.70 1j4u n TYR 23 N 1.25 0.00 0.03 2.43 4.02 -0.65 -5.01 117.16 119.22 1j4u n TYR 23 Ca -0.14 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.71 1j4u n TYR 23 Cb 0.53 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.75 1j4u n TYR 23 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 1j4u h THR 24 N 0.60 0.89 -1.27 -0.72 2.02 -1.23 -3.47 112.91 109.73 1j4u h THR 24 Ca 0.00 -2.55 0.11 0.00 0.77 0.00 0.00 66.41 64.73 1j4u h THR 24 Cb 0.00 2.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.76 1j4u h THR 24 CO 0.00 0.51 0.26 0.61 0.37 0.00 0.00 175.52 177.27 1j4u n GLY 25 N 1.43 0.32 3.31 2.16 0.00 -1.16 -4.93 105.19 106.33 1j4u n GLY 25 Ca -0.09 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 1j4u n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j4u s ILE 26 N -2.01 2.24 -0.12 -0.61 1.01 -1.26 -1.01 121.20 119.43 1j4u s ILE 26 Ca 0.08 -1.01 -0.03 0.00 0.00 0.00 0.00 60.65 59.70 1j4u s ILE 26 Cb -0.00 -1.82 -0.06 0.00 0.01 0.00 0.00 42.46 40.59 1j4u s ILE 26 CO -0.01 0.57 -0.13 0.54 0.00 0.00 0.00 174.94 175.91 1j4u n ARG 27 N 2.82 0.27 -3.87 2.79 1.74 -0.21 -4.82 116.66 115.38 1j4u n ARG 27 Ca -0.17 0.09 -0.11 0.00 -0.77 0.00 0.00 57.85 56.89 1j4u n ARG 27 Cb 0.52 -1.06 -0.12 0.00 -1.02 0.00 0.00 32.46 30.78 1j4u n ARG 27 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1j4u s GLN 28 N -2.22 0.26 -0.08 5.56 0.74 -0.97 -1.68 119.66 121.27 1j4u s GLN 28 Ca -0.16 -0.13 0.04 0.00 0.05 0.00 0.00 55.36 55.15 1j4u s GLN 28 Cb 0.05 0.11 0.00 0.00 1.10 0.00 0.00 33.01 34.28 1j4u s GLN 28 CO 0.23 -0.05 -0.20 0.42 -0.55 0.00 0.00 175.29 175.14 1j4u s ILE 29 N -0.61 1.74 -0.12 -2.34 1.01 -0.34 -0.64 121.20 119.90 1j4u s ILE 29 Ca -0.07 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 59.77 1j4u s ILE 29 Cb -0.04 -1.51 0.01 0.00 0.01 0.00 0.00 42.46 40.92 1j4u s ILE 29 CO 0.00 0.49 -0.23 -1.61 0.00 0.00 0.00 174.94 173.59 1j4u s GLU 30 N 0.36 3.03 0.01 2.79 2.02 -0.48 0.37 118.70 126.79 1j4u s GLU 30 Ca -0.15 -0.86 -0.11 0.00 0.02 0.00 0.00 54.97 53.87 1j4u s GLU 30 Cb -0.16 -2.36 0.01 0.00 0.10 0.00 0.00 34.13 31.71 1j4u s GLU 30 CO 0.06 0.08 0.22 -0.48 0.02 0.00 0.00 175.26 175.16 1j4u s LEU 31 N 0.58 1.25 0.08 1.80 0.05 -0.95 -1.59 118.68 119.89 1j4u s LEU 31 Ca -0.13 -0.14 0.05 0.00 0.05 0.00 0.00 54.13 53.96 1j4u s LEU 31 Cb -0.17 0.96 -0.04 0.00 -2.05 0.00 0.00 46.19 44.90 1j4u s LEU 31 CO 0.04 -0.45 -0.05 -0.94 -0.55 0.00 0.00 176.35 174.40 1j4u s SER 32 N -1.54 4.70 0.19 1.48 1.04 -0.87 -1.49 113.70 117.22 1j4u s SER 32 Ca -0.12 -0.25 -0.13 0.00 0.48 0.00 0.00 55.95 55.93 1j4u s SER 32 Cb -0.05 -1.04 0.01 0.00 0.10 0.00 0.00 66.02 65.04 1j4u s SER 32 CO 0.01 0.20 0.42 -0.72 0.98 0.00 0.00 173.24 174.14 1j4u s TYR 33 N -1.21 0.16 0.00 5.02 -0.85 -0.22 -0.34 117.35 119.91 1j4u s TYR 33 Ca 0.22 -0.52 0.00 0.00 -0.52 0.00 0.00 57.07 56.25 1j4u s TYR 33 Cb -0.11 0.19 0.00 0.00 0.38 0.00 0.00 41.96 42.41 1j4u s TYR 33 CO 0.14 -0.86 0.00 1.17 -1.52 0.00 0.00 175.55 174.49 1j4u n LYS 34 N -0.30 0.00 0.02 -3.49 3.00 -1.26 -1.98 118.16 114.15 1j4u n LYS 34 Ca -0.08 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.36 1j4u n LYS 34 Cb 0.62 0.00 0.24 0.00 0.00 0.00 0.00 35.03 35.90 1j4u n LYS 34 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1j4u n GLU 35 N 0.00 0.11 -3.59 1.64 4.71 -1.26 -3.59 120.64 118.66 1j4u n GLU 35 Ca 0.00 0.03 -0.10 0.00 -0.01 0.00 0.00 57.16 57.07 1j4u n GLU 35 Cb 0.00 -1.57 0.00 0.00 -1.01 0.00 0.00 31.44 28.86 1j4u n GLU 35 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1j4u n ALA 36 N -1.62 -0.97 -2.71 0.62 0.00 -1.25 -3.12 120.51 111.46 1j4u n ALA 36 Ca 0.05 -1.28 -0.37 0.00 0.00 0.00 0.00 53.44 51.83 1j4u n ALA 36 Cb 0.37 1.03 -0.06 0.00 0.00 0.00 0.00 19.45 20.79 1j4u n ALA 36 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1j4u s ILE 37 N -2.48 5.21 0.00 0.00 -1.09 -0.84 -4.39 121.20 117.61 1j4u s ILE 37 Ca 0.20 0.85 0.00 0.00 -2.23 0.00 0.00 60.65 59.47 1j4u s ILE 37 Cb -0.03 -3.77 0.00 0.00 -1.58 0.00 0.00 42.46 37.09 1j4u s ILE 37 CO 0.14 0.35 0.00 0.61 -1.23 0.00 0.00 174.94 174.82 1j4u n GLY 38 N 3.22 -0.15 3.80 6.18 0.00 0.54 -1.36 105.19 117.41 1j4u n GLY 38 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 1j4u n GLY 38 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j4u s SER 39 N -0.38 6.67 -0.28 1.61 0.01 -1.25 -3.77 113.70 116.31 1j4u s SER 39 Ca 0.00 1.91 0.01 0.00 1.31 0.00 0.00 55.95 59.18 1j4u s SER 39 Cb 0.00 -2.57 0.17 0.00 0.21 0.00 0.00 66.02 63.83 1j4u s SER 39 CO 0.00 -0.55 0.49 0.12 0.41 0.00 0.00 173.24 173.71 1j4u s PHE 40 N -1.89 -1.31 0.05 2.43 2.19 -0.18 -2.05 117.98 117.23 1j4u s PHE 40 Ca 0.62 0.94 0.03 0.00 0.33 0.00 0.00 56.93 58.85 1j4u s PHE 40 Cb -0.17 0.16 -0.03 0.00 -1.31 0.00 0.00 43.02 41.68 1j4u s PHE 40 CO 0.21 -0.92 -0.09 -1.54 1.83 0.00 0.00 175.22 174.70 1j4u s SER 41 N 2.68 1.08 0.08 6.13 1.04 -0.62 -3.29 113.70 120.80 1j4u s SER 41 Ca 0.13 -0.57 0.03 0.00 0.48 0.00 0.00 55.95 56.02 1j4u s SER 41 Cb -0.13 0.01 -0.03 0.00 0.10 0.00 0.00 66.02 65.97 1j4u s SER 41 CO -0.24 -0.17 -0.10 0.54 0.98 0.00 0.00 173.24 174.25 1j4u s VAL 42 N -1.37 0.82 -0.38 5.02 0.11 -1.26 -1.38 120.40 121.95 1j4u s VAL 42 Ca -0.08 -1.45 -0.11 0.00 -2.93 0.00 0.00 61.98 57.42 1j4u s VAL 42 Cb -0.10 -1.12 0.03 0.00 -1.53 0.00 0.00 36.38 33.67 1j4u s VAL 42 CO 0.01 -0.49 0.21 -0.63 -3.33 0.00 0.00 175.10 170.87 1j4u s ILE 43 N -2.06 4.51 0.82 7.04 1.01 0.19 -1.32 121.20 131.38 1j4u s ILE 43 Ca 0.00 -0.93 -0.08 0.00 0.00 0.00 0.00 60.65 59.64 1j4u s ILE 43 Cb -0.05 -3.55 0.18 0.00 0.01 0.00 0.00 42.46 39.05 1j4u s ILE 43 CO -0.00 -0.26 1.12 -1.22 0.00 0.00 0.00 174.94 174.58 1j4u n TYR 44 N 4.98 -3.47 -4.14 3.97 4.01 0.86 -1.05 117.16 122.33 1j4u n TYR 44 Ca -0.12 -1.42 -0.34 0.00 -0.16 0.00 0.00 57.90 55.86 1j4u n TYR 44 Cb 0.46 -0.85 -0.15 0.00 -0.31 0.00 0.00 39.34 38.49 1j4u n TYR 44 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1j4u s ASP 45 N -5.31 3.93 -0.65 7.72 2.15 -0.18 -0.16 116.67 124.18 1j4u s ASP 45 Ca 0.68 -0.45 -0.05 0.00 0.43 0.00 0.00 52.55 53.16 1j4u s ASP 45 Cb -0.03 -1.64 0.17 0.00 -0.30 0.00 0.00 42.92 41.12 1j4u s ASP 45 CO 0.47 0.02 0.49 -0.22 -0.17 0.00 0.00 175.17 175.76 1j4u s LEU 46 N 1.20 5.57 -1.24 -1.34 2.96 0.11 -0.78 118.68 125.17 1j4u s LEU 46 Ca 0.02 -2.73 -0.06 0.00 -0.22 0.00 0.00 54.13 51.14 1j4u s LEU 46 Cb -0.14 -1.93 0.01 0.00 0.50 0.00 0.00 46.19 44.62 1j4u s LEU 46 CO -0.04 -0.44 1.07 0.59 -1.32 0.00 0.00 176.35 176.21 1j4u n ASN 47 N 3.72 -4.96 0.00 3.68 5.03 -1.26 -2.95 115.26 118.52 1j4u n ASN 47 Ca 0.07 -0.53 0.00 0.00 0.87 0.00 0.00 54.58 54.99 1j4u n ASN 47 Cb 0.40 -4.81 0.00 0.00 -1.02 0.00 0.00 39.78 34.35 1j4u n ASN 47 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1j4u n GLY 48 N -1.70 3.10 3.80 7.41 0.00 -1.26 -5.03 105.19 111.50 1j4u n GLY 48 Ca -0.07 -0.90 -0.38 0.00 0.00 0.00 0.00 46.02 44.67 1j4u n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j4u s ASP 49 N 0.00 6.88 0.28 1.61 1.11 -1.15 -5.03 116.67 120.37 1j4u s ASP 49 Ca 0.00 1.05 -0.30 0.00 0.18 0.00 0.00 52.55 53.48 1j4u s ASP 49 Cb 0.00 -2.30 -0.10 0.00 1.07 0.00 0.00 42.92 41.58 1j4u s ASP 49 CO 0.00 0.22 1.43 -2.16 1.18 0.00 0.00 175.17 175.84 1j4u s PRO 50 N -0.64 4.26 -0.17 8.23 0.04 -1.26 0.08 135.00 145.53 1j4u s PRO 50 Ca 0.27 2.33 0.00 0.00 0.04 0.00 0.00 61.00 63.64 1j4u s PRO 50 Cb -0.17 -3.08 0.04 0.00 0.04 0.00 0.00 34.50 31.32 1j4u s PRO 50 CO 0.15 -0.40 -0.08 0.12 0.04 0.00 0.00 177.00 176.83 1j4u s PHE 51 N -0.31 1.99 -0.14 0.56 5.36 0.78 -4.78 117.98 121.44 1j4u s PHE 51 Ca 0.57 -1.26 -0.29 0.00 -0.96 0.00 0.00 56.93 54.98 1j4u s PHE 51 Cb -0.42 -1.45 -0.01 0.00 -0.34 0.00 0.00 43.02 40.79 1j4u s PHE 51 CO 0.47 -0.66 1.07 -1.54 -1.46 0.00 0.00 175.22 173.10 1j4u s SER 52 N 1.54 7.15 0.90 6.13 1.04 -1.26 -0.10 113.70 129.09 1j4u s SER 52 Ca 0.01 1.55 -0.09 0.00 0.48 0.00 0.00 55.95 57.90 1j4u s SER 52 Cb -0.15 -2.55 0.15 0.00 0.10 0.00 0.00 66.02 63.57 1j4u s SER 52 CO -0.08 -0.56 0.92 0.61 0.98 0.00 0.00 173.24 175.10 1j4u n GLY 53 N 3.25 -0.81 3.63 7.32 0.00 -0.44 -4.92 105.19 113.22 1j4u n GLY 53 Ca 0.10 -1.79 -0.44 0.00 0.00 0.00 0.00 46.02 43.89 1j4u n GLY 53 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1j4u n PRO 54 N -2.88 1.63 -2.97 1.61 -0.02 -1.26 -4.72 135.00 126.39 1j4u n PRO 54 Ca 0.12 0.57 -0.41 0.00 -2.02 0.00 0.00 63.50 61.77 1j4u n PRO 54 Cb 0.43 -2.03 -0.05 0.00 -0.02 0.00 0.00 33.50 31.83 1j4u n PRO 54 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1j4u s LYS 55 N -1.55 4.23 -0.82 -0.52 -0.14 -1.26 -4.50 119.74 115.19 1j4u s LYS 55 Ca 0.59 0.86 0.02 0.00 -1.36 0.00 0.00 55.97 56.07 1j4u s LYS 55 Cb -0.66 -3.60 0.29 0.00 -1.68 0.00 0.00 37.83 32.18 1j4u s LYS 55 CO 0.60 -0.35 1.11 0.72 -0.76 0.00 0.00 175.35 176.67 1j4u n HIS 56 N 5.38 3.13 -2.84 3.18 8.25 -1.21 -5.00 115.22 126.12 1j4u n HIS 56 Ca 0.03 -3.46 -0.29 0.00 -0.26 0.00 0.00 57.72 53.73 1j4u n HIS 56 Cb 0.49 -0.84 -0.02 0.00 1.12 0.00 0.00 29.99 30.73 1j4u n HIS 56 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1j4u s THR 57 N -2.94 4.83 0.24 1.59 -4.23 -1.26 -1.01 115.64 112.87 1j4u s THR 57 Ca 0.38 0.48 0.12 0.00 -1.18 0.00 0.00 61.69 61.48 1j4u s THR 57 Cb 0.13 -3.76 -0.05 0.00 1.34 0.00 0.00 72.50 70.16 1j4u s THR 57 CO 0.01 -0.59 -0.21 -0.94 -0.54 0.00 0.00 174.62 172.35 1j4u s SER 58 N -3.39 3.56 0.18 3.99 1.04 -1.26 -4.85 113.70 112.96 1j4u s SER 58 Ca 0.50 -0.94 0.01 0.00 0.48 0.00 0.00 55.95 56.00 1j4u s SER 58 Cb -0.10 -0.30 0.06 0.00 0.10 0.00 0.00 66.02 65.78 1j4u s SER 58 CO 0.35 0.08 1.43 0.11 0.98 0.00 0.00 173.24 176.18 1j4u h LYS 59 N 2.70 0.29 -5.62 4.02 1.57 -1.90 -3.45 116.57 114.18 1j4u h LYS 59 Ca -0.43 -0.26 -0.78 0.00 -1.87 0.00 0.00 60.65 57.31 1j4u h LYS 59 Cb 1.23 0.06 0.03 0.00 0.08 0.00 0.00 32.23 33.64 1j4u h LYS 59 CO 0.54 0.93 0.32 1.28 -0.57 0.00 0.00 179.45 181.95 1j4u n LEU 60 N -3.77 0.49 -3.54 2.94 7.99 -1.26 -4.70 117.00 115.15 1j4u n LEU 60 Ca -0.04 1.10 -0.41 0.00 -0.01 0.00 0.00 56.01 56.65 1j4u n LEU 60 Cb 0.74 -0.85 -0.07 0.00 -0.11 0.00 0.00 43.42 43.13 1j4u n LEU 60 CO 0.47 -1.35 1.91 -0.81 -1.51 0.00 0.00 177.39 176.10 1j4u n PRO 61 N 2.43 1.05 -3.00 3.23 -0.04 -1.26 -4.91 135.00 132.50 1j4u n PRO 61 Ca 0.23 -1.52 -0.21 0.00 -0.04 0.00 0.00 63.50 61.96 1j4u n PRO 61 Cb 0.02 -2.73 0.01 0.00 -0.04 0.00 0.00 33.50 30.76 1j4u n PRO 61 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1j4u s TYR 62 N 5.48 3.06 -0.04 0.54 1.51 -1.26 -5.06 117.35 121.58 1j4u s TYR 62 Ca 0.58 0.00 -0.30 0.00 -1.01 0.00 0.00 57.07 56.34 1j4u s TYR 62 Cb 0.14 -2.37 -0.03 0.00 -0.11 0.00 0.00 41.96 39.59 1j4u s TYR 62 CO 0.17 -0.43 1.09 -1.59 -1.11 0.00 0.00 175.55 173.69 1j4u s LYS 63 N -4.51 4.43 0.53 -0.62 0.00 -0.84 -4.73 119.74 114.00 1j4u s LYS 63 Ca 0.51 1.55 -0.02 0.00 0.00 0.00 0.00 55.97 58.00 1j4u s LYS 63 Cb -0.10 -3.50 0.01 0.00 0.00 0.00 0.00 37.83 34.24 1j4u s LYS 63 CO 0.36 -0.29 0.79 -0.80 0.00 0.00 0.00 175.35 175.41 1j4u s ASN 64 N 1.19 5.63 -0.27 0.03 -0.87 -1.26 -1.05 114.94 118.34 1j4u s ASN 64 Ca 0.53 0.43 -0.23 0.00 -1.57 0.00 0.00 52.86 52.02 1j4u s ASN 64 Cb -0.23 -1.51 0.07 0.00 -0.02 0.00 0.00 41.25 39.56 1j4u s ASN 64 CO 0.23 -0.93 0.70 0.54 -2.57 0.00 0.00 177.10 175.07 1j4u s VAL 65 N -2.78 -0.00 -0.13 1.60 0.11 -0.56 -4.94 120.40 113.69 1j4u s VAL 65 Ca 0.52 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.53 1j4u s VAL 65 Cb -0.10 -0.98 -0.04 0.00 -1.53 0.00 0.00 36.38 33.73 1j4u s VAL 65 CO 0.41 0.00 0.03 -0.54 -3.33 0.00 0.00 175.10 171.67 1j4u s LYS 66 N 0.56 3.49 -0.37 1.54 1.02 -1.26 -2.25 119.74 122.46 1j4u s LYS 66 Ca -0.01 -0.39 -0.02 0.00 0.02 0.00 0.00 55.97 55.57 1j4u s LYS 66 Cb -0.05 -2.99 0.09 0.00 -0.52 0.00 0.00 37.83 34.36 1j4u s LYS 66 CO -0.02 0.47 0.14 0.42 -0.92 0.00 0.00 175.35 175.44 1j4u s ILE 67 N -0.23 3.15 -0.40 2.17 1.01 0.16 -4.95 121.20 122.12 1j4u s ILE 67 Ca 0.06 -1.87 -0.18 0.00 0.00 0.00 0.00 60.65 58.66 1j4u s ILE 67 Cb -0.12 -3.07 0.01 0.00 0.01 0.00 0.00 42.46 39.29 1j4u s ILE 67 CO 0.02 -0.51 0.52 -1.61 0.00 0.00 0.00 174.94 173.35 1j4u s GLU 68 N 1.16 3.33 0.24 2.79 2.02 -1.26 -1.20 118.70 125.79 1j4u s GLU 68 Ca 0.05 -0.44 -0.25 0.00 0.02 0.00 0.00 54.97 54.34 1j4u s GLU 68 Cb -0.22 -3.91 -0.09 0.00 0.10 0.00 0.00 34.13 30.02 1j4u s GLU 68 CO -0.03 -0.82 0.84 -0.51 0.02 0.00 0.00 175.26 174.76 1j4u s LEU 69 N 2.41 4.46 -1.41 1.80 2.01 -0.68 -4.93 118.68 122.35 1j4u s LEU 69 Ca 0.17 1.70 -0.14 0.00 0.01 0.00 0.00 54.13 55.87 1j4u s LEU 69 Cb -0.16 -3.65 -0.01 0.00 0.01 0.00 0.00 46.19 42.39 1j4u s LEU 69 CO 0.15 0.07 2.35 2.29 1.01 0.00 0.00 176.35 182.22 1j4u n LYS 70 N 1.03 2.86 -1.97 1.70 2.85 -1.26 -4.89 118.16 118.48 1j4u n LYS 70 Ca -0.02 -2.40 -0.38 0.00 -1.05 0.00 0.00 58.31 54.46 1j4u n LYS 70 Cb 0.49 -3.12 0.02 0.00 -0.65 0.00 0.00 35.03 31.77 1j4u n LYS 70 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 177.40 177.47 1j4u s PHE 71 N 3.18 2.49 -1.17 5.58 2.19 -1.26 -1.39 117.98 127.60 1j4u s PHE 71 Ca 0.52 1.45 0.18 0.00 0.33 0.00 0.00 56.93 59.41 1j4u s PHE 71 Cb 0.15 -3.62 0.70 0.00 -1.31 0.00 0.00 43.02 38.94 1j4u s PHE 71 CO -0.06 -2.35 1.60 -0.35 1.83 0.00 0.00 175.22 175.90 1j4u n PRO 72 N -0.93 3.65 0.13 10.12 -0.04 -1.26 -4.83 135.00 141.84 1j4u n PRO 72 Ca 0.10 -2.77 0.01 0.00 -0.04 0.00 0.00 63.50 60.79 1j4u n PRO 72 Cb 0.47 -1.88 0.05 0.00 -0.04 0.00 0.00 33.50 32.10 1j4u n PRO 72 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1j4u h ASP 73 N 3.99 0.00 -3.65 3.54 3.32 -1.81 -3.44 116.42 118.37 1j4u h ASP 73 Ca 0.00 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.38 1j4u h ASP 73 Cb 1.42 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.72 1j4u h ASP 73 CO 0.23 0.60 -0.76 -0.70 -1.72 0.00 0.00 179.24 176.90 1j4u s GLU 74 N -3.04 2.97 0.03 3.56 2.12 -0.48 -4.87 118.70 118.99 1j4u s GLU 74 Ca 0.02 -0.67 -0.15 0.00 0.36 0.00 0.00 54.97 54.54 1j4u s GLU 74 Cb 0.09 -2.54 0.02 0.00 0.26 0.00 0.00 34.13 31.97 1j4u s GLU 74 CO 0.75 0.43 0.32 -0.59 -0.54 0.00 0.00 175.26 175.63 1j4u s PHE 75 N -0.21 -0.14 0.18 5.30 -0.71 -1.26 -4.19 117.98 116.95 1j4u s PHE 75 Ca 0.01 0.08 -0.33 0.00 -1.04 0.00 0.00 56.93 55.65 1j4u s PHE 75 Cb -0.13 0.11 -0.14 0.00 -1.21 0.00 0.00 43.02 41.65 1j4u s PHE 75 CO 0.03 -0.48 1.56 1.28 -1.34 0.00 0.00 175.22 176.26 1j4u n LEU 76 N 0.76 3.18 -0.02 -1.99 4.32 -1.26 -1.82 117.00 120.17 1j4u n LEU 76 Ca -0.19 1.09 0.00 0.00 -0.02 0.00 0.00 56.01 56.89 1j4u n LEU 76 Cb 0.58 -1.44 0.00 0.00 -1.62 0.00 0.00 43.42 40.95 1j4u n LEU 76 CO 0.21 -0.29 0.17 -1.84 -1.22 0.00 0.00 177.39 174.43 1j4u n GLU 77 N 3.16 1.69 -3.65 3.23 0.28 0.36 -4.75 120.64 120.96 1j4u n GLU 77 Ca 0.16 -0.36 -0.12 0.00 -0.16 0.00 0.00 57.16 56.67 1j4u n GLU 77 Cb 0.30 -0.85 -0.08 0.00 1.43 0.00 0.00 31.44 32.24 1j4u n GLU 77 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1j4u s SER 78 N -0.40 -0.74 -0.08 -1.84 0.15 -1.07 -0.44 113.70 109.28 1j4u s SER 78 Ca 0.01 1.36 0.00 0.00 0.70 0.00 0.00 55.95 58.02 1j4u s SER 78 Cb 0.01 1.35 0.02 0.00 -1.71 0.00 0.00 66.02 65.69 1j4u s SER 78 CO 0.02 -0.23 -0.06 -0.69 1.20 0.00 0.00 173.24 173.47 1j4u s VAL 79 N 0.63 0.79 0.19 4.45 1.01 -0.81 -2.31 120.40 124.36 1j4u s VAL 79 Ca -0.02 -0.20 -0.05 0.00 0.00 0.00 0.00 61.98 61.71 1j4u s VAL 79 Cb -0.05 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 1j4u s VAL 79 CO -0.04 0.30 0.20 -0.94 0.00 0.00 0.00 175.10 174.63 1j4u s SER 80 N 1.30 0.12 0.00 3.32 1.04 -0.90 0.11 113.70 118.70 1j4u s SER 80 Ca -0.04 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.21 1j4u s SER 80 Cb -0.14 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.39 1j4u s SER 80 CO -0.03 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 173.92 1j4u n GLY 81 N -0.24 -1.33 3.32 7.32 0.00 -0.55 -0.60 105.19 113.11 1j4u n GLY 81 Ca -0.02 -0.96 -0.26 0.00 0.00 0.00 0.00 46.02 44.77 1j4u n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j4u s TYR 82 N -2.92 2.01 -0.02 1.61 2.02 -0.62 -2.06 117.35 117.37 1j4u s TYR 82 Ca 0.00 -0.40 0.03 0.00 -0.37 0.00 0.00 57.07 56.33 1j4u s TYR 82 Cb 0.00 -1.12 0.00 0.00 -0.40 0.00 0.00 41.96 40.44 1j4u s TYR 82 CO 0.00 0.23 -0.09 -0.08 -1.57 0.00 0.00 175.55 174.04 1j4u s THR 83 N -1.05 0.77 -0.18 -0.71 -1.32 -0.72 -1.06 115.64 111.37 1j4u s THR 83 Ca 0.10 -0.37 -0.34 0.00 -1.21 0.00 0.00 61.69 59.87 1j4u s THR 83 Cb -0.10 -0.68 0.14 0.00 -1.51 0.00 0.00 72.50 70.35 1j4u s THR 83 CO 0.04 0.24 1.18 -0.83 -2.21 0.00 0.00 174.62 173.04 1j4u s GLY 84 N 0.12 -0.28 0.88 6.08 0.00 -0.62 -0.32 107.32 113.18 1j4u s GLY 84 Ca -0.02 1.67 -0.11 0.00 0.00 0.00 0.00 44.72 46.26 1j4u s GLY 84 CO 0.00 0.59 1.10 2.56 0.00 0.00 0.00 173.10 177.36 1j4u s PRO 85 N -2.29 1.38 -0.12 2.90 0.04 -1.26 -1.13 135.00 134.52 1j4u s PRO 85 Ca 0.08 1.17 0.02 0.00 0.04 0.00 0.00 61.00 62.31 1j4u s PRO 85 Cb -0.01 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.73 1j4u s PRO 85 CO -0.05 -2.26 -0.19 0.12 0.04 0.00 0.00 177.00 174.66 1j4u s PHE 86 N -2.80 2.67 0.00 0.56 5.99 -1.26 -4.82 117.98 118.32 1j4u s PHE 86 Ca 0.64 -0.89 0.00 0.00 0.00 0.00 0.00 56.93 56.68 1j4u s PHE 86 Cb -0.20 -1.77 0.00 0.00 0.00 0.00 0.00 43.02 41.05 1j4u s PHE 86 CO 0.58 -0.34 0.33 0.43 -0.00 0.00 0.00 175.22 176.22 1j4u n SER 87 N 3.56 0.00 -0.24 6.13 7.64 -1.26 -4.04 113.62 125.41 1j4u n SER 87 Ca -0.19 0.61 0.09 0.00 1.01 0.00 0.00 58.87 60.40 1j4u n SER 87 Cb 0.53 -0.43 0.18 0.00 -1.01 0.00 0.00 64.21 63.48 1j4u n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j4u n ALA 88 N -1.80 0.32 -2.77 -0.43 0.00 -1.26 -1.36 120.51 113.21 1j4u n ALA 88 Ca 0.00 0.73 -0.43 0.00 0.00 0.00 0.00 53.44 53.74 1j4u n ALA 88 Cb 0.00 -0.52 0.01 0.00 0.00 0.00 0.00 19.45 18.94 1j4u n ALA 88 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1j4u n LEU 89 N -4.94 6.56 -0.43 0.00 4.77 -1.26 -4.98 117.00 116.72 1j4u n LEU 89 Ca 0.15 -5.04 -0.05 0.00 -0.03 0.00 0.00 56.01 51.05 1j4u n LEU 89 Cb 0.49 -1.33 -0.01 0.00 -2.33 0.00 0.00 43.42 40.24 1j4u n LEU 89 CO -0.06 1.61 0.20 0.00 -1.33 0.00 0.00 177.39 177.82 1j4u n ALA 90 N 2.08 0.03 -3.64 -1.18 0.00 -0.46 -4.86 120.51 112.47 1j4u n ALA 90 Ca 0.31 -0.01 -0.03 0.00 0.00 0.00 0.00 53.44 53.70 1j4u n ALA 90 Cb 0.34 -0.22 -0.07 0.00 0.00 0.00 0.00 19.45 19.50 1j4u n ALA 90 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1j4u s THR 91 N 0.79 -0.02 0.15 0.00 -1.32 -1.26 -5.05 115.64 108.93 1j4u s THR 91 Ca 0.13 0.00 0.29 0.00 -1.21 0.00 0.00 61.69 60.89 1j4u s THR 91 Cb -0.13 -1.00 0.31 0.00 -1.51 0.00 0.00 72.50 70.17 1j4u s THR 91 CO 0.05 0.00 1.92 1.55 -2.21 0.00 0.00 174.62 175.93 1j4u h PRO 92 N 6.35 0.00 -6.31 7.08 0.13 -1.89 -3.40 132.00 133.96 1j4u h PRO 92 Ca -0.28 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.36 1j4u h PRO 92 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1j4u h PRO 92 CO 0.18 0.12 -0.32 -0.08 -0.23 0.00 0.00 178.00 177.67 1j4u s THR 93 N -3.72 5.19 0.73 1.56 -1.32 -1.26 -4.90 115.64 111.93 1j4u s THR 93 Ca 0.00 -0.64 -0.15 0.00 -1.21 0.00 0.00 61.69 59.70 1j4u s THR 93 Cb 0.10 -3.83 0.04 0.00 -1.51 0.00 0.00 72.50 67.30 1j4u s THR 93 CO 0.59 -0.37 1.23 -2.84 -2.21 0.00 0.00 174.62 171.02 1j4u s PRO 94 N -3.91 2.10 0.02 7.08 0.02 -1.26 -4.31 135.00 134.74 1j4u s PRO 94 Ca 0.37 1.83 -0.01 0.00 0.02 0.00 0.00 61.00 63.21 1j4u s PRO 94 Cb -0.10 -1.82 -0.02 0.00 0.02 0.00 0.00 34.50 32.58 1j4u s PRO 94 CO 0.32 -1.88 -0.00 0.08 -0.33 0.00 0.00 177.00 175.18 1j4u s VAL 95 N -1.89 0.12 -0.40 3.83 1.01 -0.29 -2.60 120.40 120.18 1j4u s VAL 95 Ca 0.76 -1.01 -0.29 0.00 0.00 0.00 0.00 61.98 61.45 1j4u s VAL 95 Cb -0.31 -0.47 0.01 0.00 0.00 0.00 0.00 36.38 35.61 1j4u s VAL 95 CO 0.45 -0.55 1.43 0.68 0.00 0.00 0.00 175.10 177.10 1j4u s VAL 96 N -1.82 3.89 -0.05 2.92 -7.23 -0.61 -1.59 120.40 115.91 1j4u s VAL 96 Ca -0.12 0.92 -0.20 0.00 -1.81 0.00 0.00 61.98 60.76 1j4u s VAL 96 Cb -0.07 -4.17 -0.31 0.00 0.56 0.00 0.00 36.38 32.39 1j4u s VAL 96 CO -0.02 -0.73 0.83 0.03 -0.31 0.00 0.00 175.10 174.90 1j4u h ARG 97 N 10.73 0.30 -5.52 4.82 2.47 -1.36 -2.23 114.38 123.59 1j4u h ARG 97 Ca -0.28 -0.52 -0.44 0.00 -1.26 0.00 0.00 59.98 57.49 1j4u h ARG 97 Cb 1.11 0.19 -0.19 0.00 -1.65 0.00 0.00 29.97 29.43 1j4u h ARG 97 CO 1.08 1.25 -0.77 0.45 0.56 0.00 0.00 179.97 182.54 1j4u s SER 98 N -7.02 2.05 -0.05 7.04 0.15 -1.13 -3.37 113.70 111.37 1j4u s SER 98 Ca -0.15 -0.77 -0.04 0.00 0.70 0.00 0.00 55.95 55.70 1j4u s SER 98 Cb 0.02 -0.08 0.01 0.00 -1.71 0.00 0.00 66.02 64.26 1j4u s SER 98 CO 0.82 -0.10 0.13 -0.22 1.20 0.00 0.00 173.24 175.07 1j4u s LEU 99 N -2.28 1.45 -0.12 3.45 2.96 -0.80 -1.59 118.68 121.75 1j4u s LEU 99 Ca 0.07 0.26 -0.06 0.00 -0.22 0.00 0.00 54.13 54.18 1j4u s LEU 99 Cb -0.06 0.42 0.05 0.00 0.50 0.00 0.00 46.19 47.10 1j4u s LEU 99 CO 0.03 -0.05 0.27 0.28 -1.32 0.00 0.00 176.35 175.56 1j4u s THR 100 N 0.17 -0.11 0.13 3.68 -1.32 0.23 -0.99 115.64 117.43 1j4u s THR 100 Ca -0.01 0.16 0.05 0.00 -1.21 0.00 0.00 61.69 60.68 1j4u s THR 100 Cb -0.02 -0.42 -0.04 0.00 -1.51 0.00 0.00 72.50 70.51 1j4u s THR 100 CO -0.00 0.07 0.06 -0.36 -2.21 0.00 0.00 174.62 172.18 1j4u s PHE 101 N 1.49 3.07 -0.05 9.09 0.40 -1.23 -2.11 117.98 128.63 1j4u s PHE 101 Ca -0.08 -0.02 0.00 0.00 -0.60 0.00 0.00 56.93 56.24 1j4u s PHE 101 Cb -0.10 -1.52 0.02 0.00 0.51 0.00 0.00 43.02 41.93 1j4u s PHE 101 CO -0.09 0.51 -0.04 0.21 0.70 0.00 0.00 175.22 176.51 1j4u s LYS 102 N -2.69 0.84 0.26 0.44 2.47 -0.98 -0.48 119.74 119.61 1j4u s LYS 102 Ca 0.29 -0.08 0.05 0.00 -1.56 0.00 0.00 55.97 54.67 1j4u s LYS 102 Cb -0.11 -0.92 -0.03 0.00 -1.46 0.00 0.00 37.83 35.31 1j4u s LYS 102 CO 0.21 -0.14 0.37 0.95 0.16 0.00 0.00 175.35 176.90 1j4u s THR 103 N 1.18 4.98 0.26 3.43 -4.23 -0.00 -0.49 115.64 120.77 1j4u s THR 103 Ca -0.07 -1.02 0.35 0.00 -1.18 0.00 0.00 61.69 59.77 1j4u s THR 103 Cb -0.14 -3.75 0.36 0.00 1.34 0.00 0.00 72.50 70.31 1j4u s THR 103 CO -0.01 -0.30 2.07 -0.55 -0.54 0.00 0.00 174.62 175.29 1j4u h ASN 104 N 1.14 0.00 -0.13 3.99 -0.00 -1.67 -1.76 115.58 117.15 1j4u h ASN 104 Ca -0.51 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.79 1j4u h ASN 104 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.56 1j4u h ASN 104 CO 0.59 0.00 0.00 0.29 -0.00 0.00 0.00 177.43 178.31 1j4u n LYS 105 N -2.77 1.35 0.00 4.14 4.76 -1.26 -4.87 118.16 119.51 1j4u n LYS 105 Ca -0.02 -0.54 0.00 0.00 -2.87 0.00 0.00 58.31 54.88 1j4u n LYS 105 Cb 0.09 -1.18 0.00 0.00 -1.84 0.00 0.00 35.03 32.11 1j4u n LYS 105 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1j4u n GLY 106 N 0.80 2.23 3.69 0.72 0.00 -0.66 -5.02 105.19 106.95 1j4u n GLY 106 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1j4u n GLY 106 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j4u s ARG 107 N -0.59 4.28 -0.13 1.61 0.52 -1.26 -4.83 118.95 118.55 1j4u s ARG 107 Ca 0.00 1.96 0.01 0.00 -0.52 0.00 0.00 55.73 57.18 1j4u s ARG 107 Cb 0.00 -3.60 -0.01 0.00 0.52 0.00 0.00 34.95 31.86 1j4u s ARG 107 CO 0.00 -0.59 -0.17 -0.08 0.02 0.00 0.00 175.30 174.48 1j4u s THR 108 N 2.54 2.63 -0.87 0.02 -1.32 -1.26 -0.82 115.64 116.55 1j4u s THR 108 Ca 0.64 -0.80 -0.18 0.00 -1.21 0.00 0.00 61.69 60.14 1j4u s THR 108 Cb -0.31 -2.08 0.15 0.00 -1.51 0.00 0.00 72.50 68.75 1j4u s THR 108 CO 0.26 0.53 1.00 -0.36 -2.21 0.00 0.00 174.62 173.84 1j4u s PHE 109 N 0.55 3.28 0.00 9.09 0.40 0.37 -4.98 117.98 126.69 1j4u s PHE 109 Ca -0.10 -1.51 0.00 0.00 -0.60 0.00 0.00 56.93 54.71 1j4u s PHE 109 Cb -0.16 -4.14 0.00 0.00 0.51 0.00 0.00 43.02 39.23 1j4u s PHE 109 CO 0.04 -1.34 0.00 0.41 0.70 0.00 0.00 175.22 175.03 1j4u n GLY 110 N 5.05 0.00 3.70 4.36 0.00 -1.26 -3.51 105.19 113.53 1j4u n GLY 110 Ca 0.18 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.64 1j4u n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j4u n PRO 111 N 0.00 1.21 -3.87 1.61 -0.04 -1.26 -4.78 135.00 127.86 1j4u n PRO 111 Ca 0.00 0.44 -0.35 0.00 -0.04 0.00 0.00 63.50 63.55 1j4u n PRO 111 Cb 0.00 -2.13 -0.08 0.00 -0.04 0.00 0.00 33.50 31.25 1j4u n PRO 111 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1j4u s TYR 112 N 3.33 3.42 0.00 0.54 1.51 -0.16 -4.90 117.35 121.08 1j4u s TYR 112 Ca 0.97 0.32 0.00 0.00 -1.01 0.00 0.00 57.07 57.35 1j4u s TYR 112 Cb -1.04 -2.05 0.00 0.00 -0.11 0.00 0.00 41.96 38.76 1j4u s TYR 112 CO 0.63 0.40 0.00 0.41 -1.11 0.00 0.00 175.55 175.89 1j4u n GLY 113 N 2.98 -0.47 3.73 0.71 0.00 -1.26 -1.90 105.19 108.99 1j4u n GLY 113 Ca -0.17 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 1j4u n GLY 113 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j4u n ASP 114 N -0.95 3.28 -3.73 1.61 10.43 -1.18 -4.54 116.55 121.47 1j4u n ASP 114 Ca 0.00 1.21 -0.42 0.00 2.57 0.00 0.00 54.79 58.16 1j4u n ASP 114 Cb 0.00 -1.55 0.00 0.00 1.84 0.00 0.00 41.12 41.42 1j4u n ASP 114 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1j4u n GLU 115 N 0.65 4.35 -4.14 -1.24 1.02 -1.26 -3.24 120.64 116.79 1j4u n GLU 115 Ca 0.04 -3.84 -0.15 0.00 -0.02 0.00 0.00 57.16 53.18 1j4u n GLU 115 Cb 0.37 -2.69 -0.11 0.00 -0.02 0.00 0.00 31.44 28.98 1j4u n GLU 115 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1j4u s GLU 116 N -1.33 0.73 0.00 3.49 -1.05 -1.26 -5.04 118.70 114.24 1j4u s GLU 116 Ca 0.43 -0.96 0.00 0.00 -0.15 0.00 0.00 54.97 54.29 1j4u s GLU 116 Cb 0.13 -0.54 0.00 0.00 -0.44 0.00 0.00 34.13 33.28 1j4u s GLU 116 CO -0.03 0.10 0.00 0.41 0.95 0.00 0.00 175.26 176.70 1j4u n GLY 117 N 1.10 0.32 3.74 -3.83 0.00 -1.26 -4.32 105.19 100.94 1j4u n GLY 117 Ca -0.20 -2.28 -0.40 0.00 0.00 0.00 0.00 46.02 43.14 1j4u n GLY 117 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1j4u s THR 118 N 0.00 4.84 0.40 2.61 -1.32 0.57 -4.77 115.64 117.98 1j4u s THR 118 Ca 0.00 1.54 -0.23 0.00 -1.21 0.00 0.00 61.69 61.79 1j4u s THR 118 Cb 0.00 -4.07 -0.10 0.00 -1.51 0.00 0.00 72.50 66.82 1j4u s THR 118 CO 0.00 0.34 0.98 -0.47 -2.21 0.00 0.00 174.62 173.26 1j4u s TYR 119 N 0.17 3.36 -0.04 9.09 5.04 -1.26 -1.76 117.35 131.95 1j4u s TYR 119 Ca 0.37 1.66 -0.04 0.00 -2.44 0.00 0.00 57.07 56.62 1j4u s TYR 119 Cb -0.19 -2.95 0.01 0.00 0.35 0.00 0.00 41.96 39.18 1j4u s TYR 119 CO 0.21 -0.22 0.12 -0.59 -1.34 0.00 0.00 175.55 173.73 1j4u s PHE 120 N -1.91 -0.13 -0.14 4.97 -0.12 -0.87 -4.96 117.98 114.82 1j4u s PHE 120 Ca 0.59 0.31 -0.06 0.00 -0.05 0.00 0.00 56.93 57.72 1j4u s PHE 120 Cb -0.15 0.04 0.06 0.00 -0.63 0.00 0.00 43.02 42.35 1j4u s PHE 120 CO 0.19 -0.06 0.30 1.21 -0.05 0.00 0.00 175.22 176.81 1j4u s ASN 121 N 0.07 -0.03 -0.45 1.98 2.47 -1.26 -1.48 114.94 116.24 1j4u s ASN 121 Ca -0.00 0.68 -0.03 0.00 0.42 0.00 0.00 52.86 53.92 1j4u s ASN 121 Cb -0.01 0.73 0.12 0.00 -1.45 0.00 0.00 41.25 40.64 1j4u s ASN 121 CO 0.00 -0.21 0.25 -0.22 -3.72 0.00 0.00 177.10 173.20 1j4u s LEU 122 N 1.99 5.28 -0.17 3.21 2.96 0.12 -4.98 118.68 127.09 1j4u s LEU 122 Ca -0.04 -2.17 -0.26 0.00 -0.22 0.00 0.00 54.13 51.45 1j4u s LEU 122 Cb -0.11 -1.84 -0.01 0.00 0.50 0.00 0.00 46.19 44.72 1j4u s LEU 122 CO -0.10 -0.52 0.86 -2.84 -1.32 0.00 0.00 176.35 172.43 1j4u s PRO 123 N 0.95 4.30 -0.39 0.98 0.02 -1.26 -1.92 135.00 137.68 1j4u s PRO 123 Ca 0.10 1.07 -0.14 0.00 0.02 0.00 0.00 61.00 62.04 1j4u s PRO 123 Cb -0.23 -3.58 0.01 0.00 0.02 0.00 0.00 34.50 30.72 1j4u s PRO 123 CO -0.04 -0.36 0.29 0.42 -0.33 0.00 0.00 177.00 176.98 1j4u s ILE 124 N 2.26 5.26 -0.01 2.83 1.01 0.41 -4.92 121.20 128.05 1j4u s ILE 124 Ca 0.39 -0.50 0.08 0.00 0.00 0.00 0.00 60.65 60.62 1j4u s ILE 124 Cb -0.16 -3.87 -0.23 0.00 0.01 0.00 0.00 42.46 38.20 1j4u s ILE 124 CO 0.12 -0.22 0.81 -0.08 0.00 0.00 0.00 174.94 175.57 1j4u h GLU 125 N 8.59 0.05 -1.98 2.79 4.81 -1.96 -3.46 114.58 123.42 1j4u h GLU 125 Ca -0.28 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 58.80 1j4u h GLU 125 Cb 1.13 0.03 -0.26 0.00 0.63 0.00 0.00 28.75 30.28 1j4u h GLU 125 CO 0.70 0.74 -0.36 1.21 -0.73 0.00 0.00 179.01 180.57 1j4u s ASN 126 N -6.41 -0.39 0.00 1.04 2.47 -1.26 -5.14 114.94 105.25 1j4u s ASN 126 Ca -0.05 0.79 0.00 0.00 0.42 0.00 0.00 52.86 54.02 1j4u s ASN 126 Cb 0.08 1.53 0.00 0.00 -1.45 0.00 0.00 41.25 41.41 1j4u s ASN 126 CO 0.82 -0.26 0.00 0.61 -3.72 0.00 0.00 177.10 174.56 1j4u n GLY 127 N 5.40 1.92 3.01 1.21 0.00 -1.26 -5.00 105.19 110.46 1j4u n GLY 127 Ca -0.06 -1.65 -0.21 0.00 0.00 0.00 0.00 46.02 44.09 1j4u n GLY 127 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j4u s LEU 128 N 0.00 1.76 -0.39 0.99 1.02 0.23 -4.93 118.68 117.36 1j4u s LEU 128 Ca 0.00 -0.21 -0.29 0.00 0.02 0.00 0.00 54.13 53.65 1j4u s LEU 128 Cb 0.00 -0.62 0.00 0.00 0.02 0.00 0.00 46.19 45.59 1j4u s LEU 128 CO 0.00 0.06 1.50 -0.63 0.02 0.00 0.00 176.35 177.30 1j4u s ILE 129 N 0.27 3.81 -1.78 -0.59 1.01 -1.26 -2.34 121.20 120.32 1j4u s ILE 129 Ca -0.05 0.83 0.17 0.00 0.00 0.00 0.00 60.65 61.60 1j4u s ILE 129 Cb -0.10 -4.07 0.33 0.00 0.01 0.00 0.00 42.46 38.63 1j4u s ILE 129 CO 0.01 -0.67 1.25 0.55 0.00 0.00 0.00 174.94 176.08 1j4u n VAL 130 N 7.12 0.56 0.00 2.92 3.14 0.16 -4.50 118.33 127.74 1j4u n VAL 130 Ca 0.18 -0.78 0.00 0.00 -2.96 0.00 0.00 64.34 60.78 1j4u n VAL 130 Cb 0.48 0.88 0.00 0.00 -1.06 0.00 0.00 33.84 34.14 1j4u n VAL 130 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1j4u n GLY 131 N 1.05 1.01 3.65 7.55 0.00 -1.21 -1.64 105.19 115.61 1j4u n GLY 131 Ca 0.15 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 1j4u n GLY 131 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j4u s PHE 132 N -2.00 2.73 0.02 1.61 0.40 -1.26 -0.47 117.98 119.01 1j4u s PHE 132 Ca 0.00 -0.21 -0.09 0.00 -0.60 0.00 0.00 56.93 56.04 1j4u s PHE 132 Cb 0.00 -1.23 0.00 0.00 0.51 0.00 0.00 43.02 42.30 1j4u s PHE 132 CO 0.00 0.60 0.17 0.21 0.70 0.00 0.00 175.22 176.90 1j4u s LYS 133 N -3.56 0.58 0.00 0.44 2.20 -1.05 -2.25 119.74 116.10 1j4u s LYS 133 Ca 0.31 -0.50 0.00 0.00 -0.36 0.00 0.00 55.97 55.42 1j4u s LYS 133 Cb -0.07 0.24 0.00 0.00 -1.51 0.00 0.00 37.83 36.49 1j4u s LYS 133 CO 0.20 -0.15 0.00 0.41 -0.36 0.00 0.00 175.35 175.44 1j4u n GLY 134 N 1.10 -1.38 3.11 5.54 0.00 0.11 0.16 105.19 113.84 1j4u n GLY 134 Ca -0.21 -1.00 -0.27 0.00 0.00 0.00 0.00 46.02 44.54 1j4u n GLY 134 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j4u s ARG 135 N -1.36 2.17 -0.00 1.61 0.52 -0.86 -0.03 118.95 121.00 1j4u s ARG 135 Ca 0.00 -0.61 0.05 0.00 -0.52 0.00 0.00 55.73 54.65 1j4u s ARG 135 Cb 0.00 -1.74 -0.01 0.00 0.52 0.00 0.00 34.95 33.72 1j4u s ARG 135 CO 0.00 0.13 -0.15 0.99 0.02 0.00 0.00 175.30 176.28 1j4u s THR 136 N 0.42 1.20 0.00 0.02 2.01 -0.48 -0.61 115.64 118.21 1j4u s THR 136 Ca -0.14 -0.72 0.00 0.00 0.31 0.00 0.00 61.69 61.14 1j4u s THR 136 Cb -0.16 -1.02 0.00 0.00 0.01 0.00 0.00 72.50 71.34 1j4u s THR 136 CO 0.05 0.28 0.00 0.61 -0.69 0.00 0.00 174.62 174.87 1j4u n GLY 137 N 2.55 0.76 0.02 4.40 0.00 -1.26 -0.57 105.19 111.08 1j4u n GLY 137 Ca -0.15 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 45.89 1j4u n GLY 137 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j4u n ASP 138 N 0.00 0.64 -0.36 1.61 10.43 -1.26 -4.87 116.55 122.75 1j4u n ASP 138 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 1j4u n ASP 138 Cb 0.00 1.76 0.00 0.00 1.84 0.00 0.00 41.12 44.72 1j4u n ASP 138 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1j4u n LEU 139 N -2.22 0.00 -4.31 0.64 7.99 -1.26 -4.58 117.00 113.26 1j4u n LEU 139 Ca -0.06 0.00 -0.46 0.00 -0.01 0.00 0.00 56.01 55.47 1j4u n LEU 139 Cb 0.57 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.83 1j4u n LEU 139 CO 0.40 0.00 0.24 -0.22 -1.51 0.00 0.00 177.39 176.30 1j4u s LEU 140 N 0.00 6.37 0.15 2.23 2.96 -0.47 -4.39 118.68 125.54 1j4u s LEU 140 Ca 0.00 -2.13 -0.14 0.00 -0.22 0.00 0.00 54.13 51.65 1j4u s LEU 140 Cb 0.00 -2.20 0.04 0.00 0.50 0.00 0.00 46.19 44.53 1j4u s LEU 140 CO 0.00 -0.75 1.71 0.44 -1.32 0.00 0.00 176.35 176.44 1j4u h ASP 141 N 8.46 0.68 -5.15 3.68 5.19 -1.17 -1.61 116.42 126.51 1j4u h ASP 141 Ca -0.15 -0.16 -0.07 0.00 -0.62 0.00 0.00 57.03 56.03 1j4u h ASP 141 Cb 1.08 -0.18 -0.12 0.00 0.18 0.00 0.00 39.33 40.28 1j4u h ASP 141 CO 0.93 0.66 -0.19 0.00 -3.12 0.00 0.00 179.24 177.52 1j4u s ALA 142 N -5.59 -0.52 -0.01 3.45 0.00 -1.14 -1.44 121.76 116.51 1j4u s ALA 142 Ca -0.13 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.40 1j4u s ALA 142 Cb 0.12 0.72 0.01 0.00 0.00 0.00 0.00 23.12 23.96 1j4u s ALA 142 CO 0.77 -0.64 -0.00 -1.50 0.00 0.00 0.00 175.76 174.38 1j4u s ILE 143 N -3.87 0.06 0.43 0.00 2.07 -0.52 -2.02 121.20 117.34 1j4u s ILE 143 Ca 0.08 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.36 1j4u s ILE 143 Cb 0.02 -0.09 -0.03 0.00 0.13 0.00 0.00 42.46 42.50 1j4u s ILE 143 CO -0.07 0.04 0.08 -0.83 -1.91 0.00 0.00 174.94 172.25 1j4u s GLY 144 N 0.20 2.67 -0.00 1.50 0.00 0.43 -1.77 107.32 110.36 1j4u s GLY 144 Ca -0.02 -1.13 -0.03 0.00 0.00 0.00 0.00 44.72 43.55 1j4u s GLY 144 CO -0.01 -1.95 0.06 -0.42 0.00 0.00 0.00 173.10 170.79 1j4u s ILE 145 N -3.10 0.06 -0.12 0.90 1.01 -1.00 -2.51 121.20 116.44 1j4u s ILE 145 Ca 0.20 -0.51 -0.02 0.00 0.00 0.00 0.00 60.65 60.32 1j4u s ILE 145 Cb 0.03 -0.26 -0.03 0.00 0.01 0.00 0.00 42.46 42.21 1j4u s ILE 145 CO 0.11 -0.28 -0.03 -1.00 0.00 0.00 0.00 174.94 173.75 1j4u s HIS 146 N -0.89 3.06 0.14 3.97 3.76 0.38 -0.54 115.29 125.16 1j4u s HIS 146 Ca -0.10 -0.06 0.07 0.00 -0.15 0.00 0.00 55.06 54.82 1j4u s HIS 146 Cb -0.06 -1.86 -0.04 0.00 1.11 0.00 0.00 32.58 31.73 1j4u s HIS 146 CO 0.00 0.21 -0.15 -1.64 -0.85 0.00 0.00 174.74 172.31 1j4u s MET 147 N -0.28 1.10 0.14 1.40 1.00 -0.13 0.37 119.30 122.91 1j4u s MET 147 Ca 0.05 -1.31 -0.25 0.00 0.00 0.00 0.00 55.69 54.18 1j4u s MET 147 Cb -0.12 -1.02 0.07 0.00 0.00 0.00 0.00 34.83 33.75 1j4u s MET 147 CO 0.02 0.20 0.89 -1.54 0.00 0.00 0.00 175.02 174.58 1j4u s SER 148 N -2.57 -0.25 0.00 3.03 1.04 -0.99 -3.38 113.70 110.58 1j4u s SER 148 Ca 0.12 -0.32 0.29 0.00 0.48 0.00 0.00 55.95 56.51 1j4u s SER 148 Cb -0.05 0.51 1.22 0.00 0.10 0.00 0.00 66.02 67.80 1j4u s SER 148 CO 0.04 -0.91 1.84 0.18 0.98 0.00 0.00 173.24 175.37