#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 1.52 0.36 -1.46 0.74 -1.26 -5.09 119.66 114.48 1j4t s GLN 3 Ca 0.00 -1.04 0.07 0.00 0.05 0.00 0.00 55.36 54.44 1j4t s GLN 3 Cb 0.00 -1.69 -0.07 0.00 1.10 0.00 0.00 33.01 32.35 1j4t s GLN 3 CO 0.00 0.43 -0.01 -0.08 -0.55 0.00 0.00 175.29 175.08 1j4t s THR 4 N -0.83 1.87 0.15 -0.34 -1.32 -1.26 -5.10 115.64 108.81 1j4t s THR 4 Ca 0.09 -2.06 -0.30 0.00 -1.21 0.00 0.00 61.69 58.21 1j4t s THR 4 Cb -0.09 -2.81 -0.07 0.00 -1.51 0.00 0.00 72.50 68.01 1j4t s THR 4 CO 0.02 -0.08 1.05 -0.63 -2.21 0.00 0.00 174.62 172.77 1j4t s ILE 5 N -2.83 4.11 -0.09 5.08 1.01 -1.20 -4.91 121.20 122.37 1j4t s ILE 5 Ca 0.34 1.79 0.03 0.00 0.00 0.00 0.00 60.65 62.81 1j4t s ILE 5 Cb 0.07 -4.14 0.00 0.00 0.01 0.00 0.00 42.46 38.40 1j4t s ILE 5 CO 0.16 0.29 -0.21 -0.89 0.00 0.00 0.00 174.94 174.30 1j4t s THR 6 N -0.14 1.80 -0.02 2.92 2.01 -1.26 -1.22 115.64 119.73 1j4t s THR 6 Ca 0.48 -0.87 0.03 0.00 0.31 0.00 0.00 61.69 61.65 1j4t s THR 6 Cb -0.27 -1.58 -0.00 0.00 0.01 0.00 0.00 72.50 70.66 1j4t s THR 6 CO 0.33 0.50 -0.12 0.54 -0.69 0.00 0.00 174.62 175.18 1j4t s VAL 7 N 0.47 0.95 0.00 3.82 0.11 0.58 -4.95 120.40 121.38 1j4t s VAL 7 Ca -0.17 -0.49 0.00 0.00 -2.93 0.00 0.00 61.98 58.39 1j4t s VAL 7 Cb -0.17 -0.81 0.00 0.00 -1.53 0.00 0.00 36.38 33.86 1j4t s VAL 7 CO 0.07 0.28 0.00 0.61 -3.33 0.00 0.00 175.10 172.73 1j4t n GLY 8 N 2.99 -2.11 0.00 6.54 0.00 -1.26 -1.62 105.19 109.73 1j4t n GLY 8 Ca -0.16 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.74 1j4t n GLY 8 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j4t n SER 9 N 0.00 0.00 -4.56 1.61 7.64 -1.25 -4.94 113.62 112.12 1j4t n SER 9 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 1j4t n SER 9 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 1j4t n SER 9 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1j4t s TRP 10 N 0.00 2.85 -3.28 1.43 0.51 -0.19 -4.87 118.94 115.38 1j4t s TRP 10 Ca 0.00 0.35 0.00 0.00 -2.12 0.00 0.00 56.10 54.33 1j4t s TRP 10 Cb 0.00 -4.11 0.00 0.00 -0.81 0.00 0.00 33.47 28.55 1j4t s TRP 10 CO 0.00 -1.23 0.00 0.41 -0.51 0.00 0.00 176.95 175.62 1j4t n GLY 11 N 4.98 -0.21 2.80 0.98 0.00 -1.26 -2.52 105.19 109.96 1j4t n GLY 11 Ca 0.06 -0.87 -0.24 0.00 0.00 0.00 0.00 46.02 44.97 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 3.59 1.41 -0.02 0.00 0.05 -4.84 105.19 105.38 1j4t n GLY 12 Ca 0.00 -2.33 0.12 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.04 2.91 -0.20 1.61 -0.04 -1.26 -4.44 135.00 132.53 1j4t n PRO 13 Ca -0.14 -2.72 0.00 0.00 -0.04 0.00 0.00 63.50 60.60 1j4t n PRO 13 Cb 0.49 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 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 1.59 -0.14 0.52 0.55 0.00 -1.26 -4.92 105.19 101.53 1j4t n GLY 14 Ca 0.25 -1.79 0.07 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.55 3.58 -0.02 0.00 -1.26 -4.67 105.19 106.26 1j4t n GLY 15 Ca 0.00 -1.40 -0.37 0.00 0.00 0.00 0.00 46.02 44.25 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 -4.01 5.80 0.17 1.61 0.02 -0.54 -4.83 114.94 113.16 1j4t s ASN 16 Ca 0.00 -0.02 -0.33 0.00 -1.02 0.00 0.00 52.86 51.49 1j4t s ASN 16 Cb 0.00 -2.05 -0.14 0.00 0.02 0.00 0.00 41.25 39.08 1j4t s ASN 16 CO 0.00 0.01 1.56 0.61 0.02 0.00 0.00 177.10 179.30 1j4t n GLY 17 N 4.67 1.10 3.73 0.66 0.00 -1.26 -3.16 105.19 110.93 1j4t n GLY 17 Ca -0.15 0.63 -0.30 0.00 0.00 0.00 0.00 46.02 46.20 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 0.79 2.08 -0.30 1.61 -2.14 0.13 -4.93 118.94 116.18 1j4t s TRP 18 Ca 0.77 -0.84 -0.04 0.00 2.66 0.00 0.00 56.10 58.65 1j4t s TRP 18 Cb -0.67 -1.71 0.19 0.00 -3.10 0.00 0.00 33.47 28.18 1j4t s TRP 18 CO 0.39 0.23 0.82 0.34 -2.66 0.00 0.00 176.95 176.08 1j4t s ASP 19 N -3.87 -0.99 0.24 -2.66 -1.08 -1.26 -2.72 116.67 104.34 1j4t s ASP 19 Ca 0.19 0.27 0.26 0.00 -0.52 0.00 0.00 52.55 52.74 1j4t s ASP 19 Cb 0.04 1.69 0.84 0.00 -1.46 0.00 0.00 42.92 44.02 1j4t s ASP 19 CO 0.10 -0.18 1.76 -0.33 0.52 0.00 0.00 175.17 177.04 1j4t h GLU 20 N 7.75 0.00 0.00 4.34 5.08 -1.67 -3.49 114.58 126.59 1j4t h GLU 20 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1j4t h GLU 20 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1j4t h GLU 20 CO 0.04 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.46 1j4t n GLY 21 N 1.00 -3.03 3.75 -3.84 0.00 -1.26 -4.91 105.19 96.91 1j4t n GLY 21 Ca 0.05 -1.81 -0.36 0.00 0.00 0.00 0.00 46.02 43.90 1j4t n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j4t s SER 22 N -1.66 6.28 0.00 1.61 0.01 -1.26 -3.80 113.70 114.88 1j4t s SER 22 Ca 0.00 0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.58 1j4t s SER 22 Cb 0.00 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 64.12 1j4t s SER 22 CO 0.00 0.20 0.00 -1.22 0.41 0.00 0.00 173.24 172.63 1j4t n TYR 23 N 3.29 0.00 0.14 2.43 4.02 0.48 -4.97 117.16 122.54 1j4t n TYR 23 Ca -0.16 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 57.85 1j4t n TYR 23 Cb 0.52 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.87 1j4t n TYR 23 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 1j4t h THR 24 N 0.00 0.00 0.00 -0.72 2.02 -1.20 -3.47 112.91 109.54 1j4t h THR 24 Ca 0.00 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 66.20 1j4t h THR 24 Cb 0.00 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1j4t h THR 24 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 1j4t n GLY 25 N 1.17 -1.40 3.29 2.16 0.00 -1.24 -4.95 105.19 104.23 1j4t n GLY 25 Ca 0.01 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.80 1.97 -0.00 -0.61 -1.09 -1.26 -0.82 121.20 116.58 1j4t s ILE 26 Ca 0.00 -1.07 0.00 0.00 -2.23 0.00 0.00 60.65 57.35 1j4t s ILE 26 Cb 0.00 -1.63 -0.00 0.00 -1.58 0.00 0.00 42.46 39.24 1j4t s ILE 26 CO 0.00 0.55 0.00 0.54 -1.23 0.00 0.00 174.94 174.80 1j4t n ARG 27 N 2.45 2.65 -3.62 2.79 1.74 -0.98 -4.67 116.66 117.02 1j4t n ARG 27 Ca -0.16 -0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.80 1j4t n ARG 27 Cb 0.51 -1.01 -0.07 0.00 -1.02 0.00 0.00 32.46 30.88 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 -2.01 0.72 -0.02 5.56 0.74 -1.07 -2.20 119.66 121.37 1j4t s GLN 28 Ca -0.00 0.71 0.06 0.00 0.05 0.00 0.00 55.36 56.18 1j4t s GLN 28 Cb 0.00 0.35 -0.02 0.00 1.10 0.00 0.00 33.01 34.44 1j4t s GLN 28 CO 0.01 -0.11 -0.21 0.42 -0.55 0.00 0.00 175.29 174.85 1j4t s ILE 29 N 0.05 1.64 -0.04 -2.34 1.01 -0.15 -1.74 121.20 119.63 1j4t s ILE 29 Ca -0.00 -0.89 0.03 0.00 0.00 0.00 0.00 60.65 59.79 1j4t s ILE 29 Cb -0.04 -1.36 0.00 0.00 0.01 0.00 0.00 42.46 41.07 1j4t s ILE 29 CO -0.01 0.46 -0.13 -1.61 0.00 0.00 0.00 174.94 173.65 1j4t s GLU 30 N -0.49 1.46 0.21 2.79 2.02 -0.78 -0.14 118.70 123.78 1j4t s GLU 30 Ca 0.08 -0.46 -0.13 0.00 0.02 0.00 0.00 54.97 54.47 1j4t s GLU 30 Cb -0.08 -1.29 0.00 0.00 0.10 0.00 0.00 34.13 32.87 1j4t s GLU 30 CO -0.01 0.16 0.43 -0.48 0.02 0.00 0.00 175.26 175.39 1j4t s LEU 31 N 0.20 0.44 0.07 1.80 0.05 -0.88 -2.15 118.68 118.20 1j4t s LEU 31 Ca -0.05 -0.77 0.07 0.00 0.05 0.00 0.00 54.13 53.43 1j4t s LEU 31 Cb -0.11 1.71 -0.03 0.00 -2.05 0.00 0.00 46.19 45.71 1j4t s LEU 31 CO 0.02 -1.04 -0.19 -0.94 -0.55 0.00 0.00 176.35 173.65 1j4t s SER 32 N -2.96 2.30 -0.02 1.48 1.04 -1.05 -1.00 113.70 113.49 1j4t s SER 32 Ca 0.17 -0.58 -0.11 0.00 0.48 0.00 0.00 55.95 55.91 1j4t s SER 32 Cb 0.00 -0.15 0.02 0.00 0.10 0.00 0.00 66.02 65.99 1j4t s SER 32 CO 0.03 0.09 0.24 -0.72 0.98 0.00 0.00 173.24 173.85 1j4t s TYR 33 N -0.97 -0.11 0.00 5.02 1.13 -0.81 0.20 117.35 121.81 1j4t s TYR 33 Ca 0.05 0.18 0.00 0.00 -1.41 0.00 0.00 57.07 55.89 1j4t s TYR 33 Cb -0.09 0.04 0.00 0.00 -1.10 0.00 0.00 41.96 40.81 1j4t s TYR 33 CO 0.03 -0.32 0.00 1.63 -2.51 0.00 0.00 175.55 174.38 1j4t n LYS 34 N 1.56 0.00 -0.00 -3.49 5.02 -1.26 -2.56 118.16 117.42 1j4t n LYS 34 Ca -0.21 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.11 1j4t n LYS 34 Cb 0.56 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.52 1j4t n LYS 34 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1j4t n GLU 35 N -2.38 1.49 -4.34 1.97 4.71 -1.26 -3.99 120.64 116.83 1j4t n GLU 35 Ca 0.00 -0.04 -0.17 0.00 -0.01 0.00 0.00 57.16 56.93 1j4t n GLU 35 Cb 0.00 -1.06 -0.10 0.00 -1.01 0.00 0.00 31.44 29.27 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 -2.22 1.85 -0.21 0.62 0.00 -1.26 -3.42 121.76 117.12 1j4t s ALA 36 Ca -0.01 -1.86 -0.18 0.00 0.00 0.00 0.00 51.96 49.90 1j4t s ALA 36 Cb 0.04 0.80 -0.03 0.00 0.00 0.00 0.00 23.12 23.93 1j4t s ALA 36 CO 0.27 -0.37 0.51 0.42 0.00 0.00 0.00 175.76 176.59 1j4t s ILE 37 N -3.58 5.11 0.00 0.00 -1.09 -1.15 -4.13 121.20 116.36 1j4t s ILE 37 Ca 0.34 0.92 0.00 0.00 -2.23 0.00 0.00 60.65 59.69 1j4t s ILE 37 Cb 0.07 -3.83 0.00 0.00 -1.58 0.00 0.00 42.46 37.12 1j4t s ILE 37 CO 0.12 0.18 0.00 0.61 -1.23 0.00 0.00 174.94 174.62 1j4t n GLY 38 N 3.94 -0.43 3.75 6.18 0.00 0.13 -2.31 105.19 116.45 1j4t n GLY 38 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.22 7.10 -0.15 1.61 0.01 -1.25 -3.22 113.70 116.59 1j4t s SER 39 Ca 0.00 2.35 -0.04 0.00 1.31 0.00 0.00 55.95 59.57 1j4t s SER 39 Cb 0.00 -2.63 0.06 0.00 0.21 0.00 0.00 66.02 63.67 1j4t s SER 39 CO 0.00 -0.30 0.12 0.12 0.41 0.00 0.00 173.24 173.59 1j4t s PHE 40 N -0.81 0.02 -0.08 2.43 5.36 -0.13 -2.54 117.98 122.23 1j4t s PHE 40 Ca 0.48 0.02 -0.11 0.00 -0.96 0.00 0.00 56.93 56.36 1j4t s PHE 40 Cb -0.34 -0.53 0.03 0.00 -0.34 0.00 0.00 43.02 41.84 1j4t s PHE 40 CO 0.42 -0.45 0.30 -1.54 -1.46 0.00 0.00 175.22 172.49 1j4t s SER 41 N 2.21 -0.27 0.11 6.13 1.04 -0.91 -3.41 113.70 118.59 1j4t s SER 41 Ca 0.04 0.44 0.08 0.00 0.48 0.00 0.00 55.95 56.98 1j4t s SER 41 Cb -0.15 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 1j4t s SER 41 CO -0.08 -0.20 -0.19 0.54 0.98 0.00 0.00 173.24 174.28 1j4t s VAL 42 N -0.29 1.65 -0.51 5.02 0.11 -1.26 -1.86 120.40 123.26 1j4t s VAL 42 Ca -0.04 -1.59 -0.12 0.00 -2.93 0.00 0.00 61.98 57.30 1j4t s VAL 42 Cb -0.03 -1.55 0.13 0.00 -1.53 0.00 0.00 36.38 33.39 1j4t s VAL 42 CO 0.01 -0.13 0.42 -0.63 -3.33 0.00 0.00 175.10 171.44 1j4t s ILE 43 N -1.36 4.64 0.91 7.04 1.01 -0.71 -0.62 121.20 132.11 1j4t s ILE 43 Ca 0.07 -1.71 -0.14 0.00 0.00 0.00 0.00 60.65 58.87 1j4t s ILE 43 Cb -0.09 -4.02 0.17 0.00 0.01 0.00 0.00 42.46 38.53 1j4t s ILE 43 CO 0.04 -0.82 1.26 -0.31 0.00 0.00 0.00 174.94 175.11 1j4t s TYR 44 N 1.40 1.86 -0.20 3.97 2.02 -0.76 -2.31 117.35 123.34 1j4t s TYR 44 Ca 0.05 0.34 -0.04 0.00 -0.37 0.00 0.00 57.07 57.06 1j4t s TYR 44 Cb -0.27 -3.89 -0.01 0.00 -0.40 0.00 0.00 41.96 37.38 1j4t s TYR 44 CO 0.00 -2.38 -0.05 0.34 -1.57 0.00 0.00 175.55 171.89 1j4t s ASP 45 N -4.81 4.40 -0.52 2.29 2.15 -0.01 -1.17 116.67 119.00 1j4t s ASP 45 Ca 0.71 -0.32 -0.05 0.00 0.43 0.00 0.00 52.55 53.31 1j4t s ASP 45 Cb -0.05 -1.74 0.14 0.00 -0.30 0.00 0.00 42.92 40.96 1j4t s ASP 45 CO 0.51 0.04 0.35 -0.22 -0.17 0.00 0.00 175.17 175.68 1j4t s LEU 46 N 1.14 5.45 -1.32 -1.34 2.96 0.32 -0.77 118.68 125.11 1j4t s LEU 46 Ca 0.02 -2.33 -0.00 0.00 -0.22 0.00 0.00 54.13 51.60 1j4t s LEU 46 Cb -0.15 -1.90 0.00 0.00 0.50 0.00 0.00 46.19 44.64 1j4t s LEU 46 CO -0.00 -0.52 0.67 0.59 -1.32 0.00 0.00 176.35 175.76 1j4t n ASN 47 N 4.25 -1.09 0.00 3.68 4.13 -1.26 -0.35 115.26 124.62 1j4t n ASN 47 Ca 0.01 -0.84 0.00 0.00 1.68 0.00 0.00 54.58 55.43 1j4t n ASN 47 Cb 0.40 -3.94 0.00 0.00 -1.54 0.00 0.00 39.78 34.71 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 -1.62 1.17 3.46 7.41 0.00 -1.26 -5.03 105.19 109.31 1j4t n GLY 48 Ca -0.30 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.10 3.87 0.21 1.61 1.11 0.52 -5.09 116.67 115.80 1j4t s ASP 49 Ca 0.00 -0.36 -0.30 0.00 0.18 0.00 0.00 52.55 52.07 1j4t s ASP 49 Cb 0.00 -0.68 -0.08 0.00 1.07 0.00 0.00 42.92 43.23 1j4t s ASP 49 CO 0.00 0.28 0.97 -2.16 1.18 0.00 0.00 175.17 175.43 1j4t s PRO 50 N -1.27 4.79 -0.27 8.23 0.04 -1.26 0.12 135.00 145.37 1j4t s PRO 50 Ca 0.14 1.52 0.01 0.00 0.04 0.00 0.00 61.00 62.71 1j4t s PRO 50 Cb -0.11 -3.30 0.08 0.00 0.04 0.00 0.00 34.50 31.22 1j4t s PRO 50 CO 0.04 0.40 0.00 0.12 0.04 0.00 0.00 177.00 177.60 1j4t s PHE 51 N -0.83 2.55 -0.21 0.56 5.36 -0.32 -4.80 117.98 120.29 1j4t s PHE 51 Ca 0.43 -2.03 -0.28 0.00 -0.96 0.00 0.00 56.93 54.08 1j4t s PHE 51 Cb -0.26 -1.92 -0.04 0.00 -0.34 0.00 0.00 43.02 40.46 1j4t s PHE 51 CO 0.32 -0.84 2.01 -1.54 -1.46 0.00 0.00 175.22 173.71 1j4t s SER 52 N 1.33 5.81 1.24 6.13 1.04 -1.26 -1.83 113.70 126.16 1j4t s SER 52 Ca 0.01 1.82 -0.16 0.00 0.48 0.00 0.00 55.95 58.10 1j4t s SER 52 Cb -0.19 -2.52 0.30 0.00 0.10 0.00 0.00 66.02 63.72 1j4t s SER 52 CO -0.11 -1.69 1.01 -0.83 0.98 0.00 0.00 173.24 172.60 1j4t s GLY 53 N 6.72 1.50 0.39 7.32 0.00 0.21 -4.91 107.32 118.56 1j4t s GLY 53 Ca 0.90 -0.45 -0.27 0.00 0.00 0.00 0.00 44.72 44.90 1j4t s GLY 53 CO 0.35 0.37 1.40 -4.14 0.00 0.00 0.00 173.10 171.08 1j4t s PRO 54 N -4.76 4.01 -0.08 2.90 0.02 -1.26 -4.78 135.00 131.04 1j4t s PRO 54 Ca 0.68 2.39 -0.30 0.00 0.02 0.00 0.00 61.00 63.79 1j4t s PRO 54 Cb -0.20 -2.86 -0.02 0.00 0.02 0.00 0.00 34.50 31.44 1j4t s PRO 54 CO 0.61 -0.54 1.03 0.15 -0.33 0.00 0.00 177.00 177.93 1j4t s LYS 55 N -2.17 4.43 -0.78 5.54 1.02 -1.26 -4.55 119.74 121.97 1j4t s LYS 55 Ca 0.55 1.44 0.02 0.00 0.02 0.00 0.00 55.97 58.01 1j4t s LYS 55 Cb -0.43 -3.53 0.22 0.00 -0.52 0.00 0.00 37.83 33.57 1j4t s LYS 55 CO 0.57 -0.29 0.72 0.72 -0.92 0.00 0.00 175.35 176.14 1j4t n HIS 56 N 4.85 3.62 -3.06 3.18 8.25 -1.22 -5.03 115.22 125.81 1j4t n HIS 56 Ca 0.09 -4.10 -0.35 0.00 -0.26 0.00 0.00 57.72 53.09 1j4t n HIS 56 Cb 0.49 -0.82 -0.06 0.00 1.12 0.00 0.00 29.99 30.71 1j4t n HIS 56 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1j4t s THR 57 N -1.78 4.55 0.01 1.59 -1.32 -1.26 -0.95 115.64 116.47 1j4t s THR 57 Ca 0.30 1.26 0.06 0.00 -1.21 0.00 0.00 61.69 62.10 1j4t s THR 57 Cb 0.00 -3.79 -0.02 0.00 -1.51 0.00 0.00 72.50 67.18 1j4t s THR 57 CO -0.10 0.06 -0.19 -0.94 -2.21 0.00 0.00 174.62 171.24 1j4t s SER 58 N -1.85 2.19 0.35 8.08 1.04 -1.26 -4.90 113.70 117.34 1j4t s SER 58 Ca 0.48 -0.40 0.27 0.00 0.48 0.00 0.00 55.95 56.78 1j4t s SER 58 Cb -0.15 -0.22 1.03 0.00 0.10 0.00 0.00 66.02 66.79 1j4t s SER 58 CO 0.20 0.19 1.79 0.07 0.98 0.00 0.00 173.24 176.47 1j4t h LYS 59 N 5.38 0.00 -6.57 4.02 5.09 -1.91 -3.46 116.57 119.12 1j4t h LYS 59 Ca -0.39 0.00 -0.59 0.00 0.09 0.00 0.00 60.65 59.76 1j4t h LYS 59 Cb 1.15 0.00 0.09 0.00 0.10 0.00 0.00 32.23 33.58 1j4t h LYS 59 CO 0.46 0.00 0.48 1.28 -2.09 0.00 0.00 179.45 179.59 1j4t n LEU 60 N -2.54 2.81 -2.98 7.07 7.99 -1.26 -4.80 117.00 123.29 1j4t n LEU 60 Ca 0.02 1.16 -0.25 0.00 -0.01 0.00 0.00 56.01 56.93 1j4t n LEU 60 Cb 0.30 -1.39 -0.05 0.00 -0.11 0.00 0.00 43.42 42.17 1j4t n LEU 60 CO 0.24 -0.72 2.51 -0.81 -1.51 0.00 0.00 177.39 177.10 1j4t n PRO 61 N 1.51 2.53 -1.92 3.23 -0.04 -1.26 -4.91 135.00 134.14 1j4t n PRO 61 Ca 0.10 -1.56 -0.30 0.00 -0.04 0.00 0.00 63.50 61.70 1j4t n PRO 61 Cb 0.32 -2.44 0.05 0.00 -0.04 0.00 0.00 33.50 31.38 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 2.53 3.29 -0.15 0.54 1.51 -1.26 -5.03 117.35 118.78 1j4t s TYR 62 Ca 0.53 1.00 -0.17 0.00 -1.01 0.00 0.00 57.07 57.41 1j4t s TYR 62 Cb 0.16 -3.08 -0.04 0.00 -0.11 0.00 0.00 41.96 38.89 1j4t s TYR 62 CO -0.04 -1.20 0.44 -1.59 -1.11 0.00 0.00 175.55 172.05 1j4t s LYS 63 N -5.35 4.27 0.46 -0.62 -2.85 -1.06 -4.83 119.74 109.76 1j4t s LYS 63 Ca 0.58 0.33 -0.01 0.00 -1.00 0.00 0.00 55.97 55.88 1j4t s LYS 63 Cb -0.11 -3.47 -0.01 0.00 -2.06 0.00 0.00 37.83 32.18 1j4t s LYS 63 CO 0.51 0.09 0.69 -0.80 0.10 0.00 0.00 175.35 175.94 1j4t s ASN 64 N 0.76 5.87 -0.01 0.03 -0.87 -1.26 -1.93 114.94 117.53 1j4t s ASN 64 Ca 0.23 0.37 -0.08 0.00 -1.57 0.00 0.00 52.86 51.81 1j4t s ASN 64 Cb -0.15 -1.62 0.01 0.00 -0.02 0.00 0.00 41.25 39.47 1j4t s ASN 64 CO 0.09 -0.70 0.16 0.54 -2.57 0.00 0.00 177.10 174.61 1j4t s VAL 65 N -2.59 0.06 -0.07 1.60 0.11 -0.17 -4.96 120.40 114.38 1j4t s VAL 65 Ca 0.48 -0.54 0.05 0.00 -2.93 0.00 0.00 61.98 59.05 1j4t s VAL 65 Cb -0.10 -0.41 -0.01 0.00 -1.53 0.00 0.00 36.38 34.33 1j4t s VAL 65 CO 0.39 -0.29 -0.24 -0.75 -3.33 0.00 0.00 175.10 170.88 1j4t s LYS 66 N -1.08 2.70 -0.32 1.54 2.20 -1.26 -2.07 119.74 121.45 1j4t s LYS 66 Ca -0.12 -0.86 0.02 0.00 -0.36 0.00 0.00 55.97 54.65 1j4t s LYS 66 Cb -0.06 -2.17 0.08 0.00 -1.51 0.00 0.00 37.83 34.17 1j4t s LYS 66 CO 0.02 0.28 0.01 0.42 -0.36 0.00 0.00 175.35 175.71 1j4t s ILE 67 N 0.08 2.50 -0.76 5.43 1.01 0.80 -4.96 121.20 125.30 1j4t s ILE 67 Ca -0.10 -1.92 -0.22 0.00 0.00 0.00 0.00 60.65 58.41 1j4t s ILE 67 Cb -0.15 -2.64 0.08 0.00 0.01 0.00 0.00 42.46 39.76 1j4t s ILE 67 CO 0.06 -0.35 1.06 -1.61 0.00 0.00 0.00 174.94 174.10 1j4t s GLU 68 N 1.06 3.28 0.63 2.79 2.02 -1.26 -0.98 118.70 126.24 1j4t s GLU 68 Ca 0.01 -1.10 -0.13 0.00 0.02 0.00 0.00 54.97 53.78 1j4t s GLU 68 Cb -0.20 -4.50 -0.02 0.00 0.10 0.00 0.00 34.13 29.51 1j4t s GLU 68 CO -0.05 -1.84 1.04 -0.51 0.02 0.00 0.00 175.26 173.92 1j4t s LEU 69 N 3.79 3.31 -1.26 1.80 2.01 -0.94 -4.92 118.68 122.48 1j4t s LEU 69 Ca 0.27 1.63 -0.05 0.00 0.01 0.00 0.00 54.13 56.00 1j4t s LEU 69 Cb -0.12 -4.50 0.15 0.00 0.01 0.00 0.00 46.19 41.73 1j4t s LEU 69 CO 0.03 -1.16 2.31 2.29 1.01 0.00 0.00 176.35 180.83 1j4t n LYS 70 N -2.57 4.70 -1.59 1.70 2.85 -1.26 -4.82 118.16 117.16 1j4t n LYS 70 Ca 0.07 -3.63 -0.43 0.00 -1.05 0.00 0.00 58.31 53.27 1j4t n LYS 70 Cb 0.53 -2.60 -0.01 0.00 -0.65 0.00 0.00 35.03 32.31 1j4t n LYS 70 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1j4t n PHE 71 N 1.42 1.21 0.88 5.58 7.35 -1.25 -2.32 117.46 130.32 1j4t n PHE 71 Ca 0.60 0.65 0.10 0.00 -0.76 0.00 0.00 57.45 58.04 1j4t n PHE 71 Cb 0.25 -2.24 0.01 0.00 0.35 0.00 0.00 39.48 37.85 1j4t n PHE 71 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1j4t n PRO 72 N 0.55 1.47 0.27 -7.13 -0.04 -1.26 -4.83 135.00 124.03 1j4t n PRO 72 Ca 0.09 -1.01 0.13 0.00 -0.04 0.00 0.00 63.50 62.67 1j4t n PRO 72 Cb 0.35 -1.39 0.77 0.00 -0.04 0.00 0.00 33.50 33.19 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 2.37 0.00 -3.31 3.54 3.32 -1.94 -3.43 116.42 116.97 1j4t h ASP 73 Ca 0.00 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.39 1j4t h ASP 73 Cb 0.69 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 39.96 1j4t h ASP 73 CO 0.00 0.07 -0.78 -0.70 -1.72 0.00 0.00 179.24 176.12 1j4t s GLU 74 N -4.47 3.31 0.24 3.56 2.12 -0.98 -4.85 118.70 117.64 1j4t s GLU 74 Ca -0.04 -0.70 -0.04 0.00 0.36 0.00 0.00 54.97 54.55 1j4t s GLU 74 Cb 0.14 -2.68 -0.02 0.00 0.26 0.00 0.00 34.13 31.83 1j4t s GLU 74 CO 0.59 0.07 0.28 -0.59 -0.54 0.00 0.00 175.26 175.07 1j4t s PHE 75 N 0.71 0.99 0.26 5.30 -0.71 -1.26 -3.93 117.98 119.33 1j4t s PHE 75 Ca -0.06 -1.22 -0.30 0.00 -1.04 0.00 0.00 56.93 54.31 1j4t s PHE 75 Cb -0.15 -0.31 -0.09 0.00 -1.21 0.00 0.00 43.02 41.25 1j4t s PHE 75 CO 0.02 -0.82 1.13 -0.51 -1.34 0.00 0.00 175.22 173.70 1j4t s LEU 76 N -3.15 4.52 0.00 -1.99 1.02 -1.26 -1.97 118.68 115.85 1j4t s LEU 76 Ca 0.34 2.27 0.04 0.00 0.02 0.00 0.00 54.13 56.80 1j4t s LEU 76 Cb 0.04 -3.62 0.02 0.00 0.02 0.00 0.00 46.19 42.64 1j4t s LEU 76 CO 0.14 -0.22 0.54 1.21 0.02 0.00 0.00 176.35 178.04 1j4t n GLU 77 N 1.53 1.02 -3.61 1.70 2.13 0.13 -4.80 120.64 118.73 1j4t n GLU 77 Ca 0.00 -0.60 -0.08 0.00 0.66 0.00 0.00 57.16 57.14 1j4t n GLU 77 Cb 0.45 -1.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.10 1j4t n GLU 77 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1j4t s SER 78 N -0.61 -0.31 -0.11 4.31 0.01 -1.18 -2.15 113.70 113.65 1j4t s SER 78 Ca 0.05 0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.74 1j4t s SER 78 Cb 0.04 0.38 0.02 0.00 0.21 0.00 0.00 66.02 66.67 1j4t s SER 78 CO 0.08 -0.22 -0.10 -0.69 0.41 0.00 0.00 173.24 172.72 1j4t s VAL 79 N -0.69 1.17 0.08 3.43 1.01 -1.12 -2.79 120.40 121.49 1j4t s VAL 79 Ca 0.02 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.62 1j4t s VAL 79 Cb -0.02 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 1j4t s VAL 79 CO -0.03 0.39 -0.07 -0.94 0.00 0.00 0.00 175.10 174.45 1j4t s SER 80 N 1.51 1.03 0.00 3.32 1.04 -1.07 -1.29 113.70 118.25 1j4t s SER 80 Ca 0.02 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.58 1j4t s SER 80 Cb -0.13 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.07 1j4t s SER 80 CO -0.07 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.37 1j4t n GLY 81 N 0.41 -1.17 3.32 7.32 0.00 -0.85 -0.56 105.19 113.66 1j4t n GLY 81 Ca -0.15 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.63 1j4t n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j4t s TYR 82 N -2.39 2.30 -0.19 1.61 2.02 -0.89 -1.15 117.35 118.66 1j4t s TYR 82 Ca 0.00 -0.42 0.01 0.00 -0.37 0.00 0.00 57.07 56.29 1j4t s TYR 82 Cb 0.00 -1.43 0.03 0.00 -0.40 0.00 0.00 41.96 40.15 1j4t s TYR 82 CO 0.00 0.03 -0.16 -0.08 -1.57 0.00 0.00 175.55 173.78 1j4t s THR 83 N -0.69 1.88 0.18 -0.71 -1.32 0.15 -1.09 115.64 114.04 1j4t s THR 83 Ca 0.11 -0.96 -0.20 0.00 -1.21 0.00 0.00 61.69 59.42 1j4t s THR 83 Cb -0.10 -1.79 0.05 0.00 -1.51 0.00 0.00 72.50 69.14 1j4t s THR 83 CO 0.00 0.39 0.56 -0.83 -2.21 0.00 0.00 174.62 172.53 1j4t s GLY 84 N 1.33 -0.35 1.25 6.08 0.00 -0.38 -1.87 107.32 113.38 1j4t s GLY 84 Ca 0.02 0.10 -0.20 0.00 0.00 0.00 0.00 44.72 44.64 1j4t s GLY 84 CO -0.11 -0.06 1.09 -4.14 0.00 0.00 0.00 173.10 169.88 1j4t s PRO 85 N -3.81 -1.62 -0.28 2.90 0.02 -1.26 -0.74 135.00 130.21 1j4t s PRO 85 Ca 0.05 -0.09 -0.03 0.00 0.02 0.00 0.00 61.00 60.94 1j4t s PRO 85 Cb -0.01 -1.55 0.11 0.00 0.02 0.00 0.00 34.50 33.06 1j4t s PRO 85 CO -0.07 -3.97 0.17 0.12 -0.33 0.00 0.00 177.00 172.92 1j4t s PHE 86 N -2.91 0.08 0.50 6.54 5.36 -1.24 -4.82 117.98 121.49 1j4t s PHE 86 Ca 0.71 -0.62 0.20 0.00 -0.96 0.00 0.00 56.93 56.26 1j4t s PHE 86 Cb -0.09 -0.75 1.34 0.00 -0.34 0.00 0.00 43.02 43.17 1j4t s PHE 86 CO 0.56 -0.83 2.12 0.77 -1.46 0.00 0.00 175.22 176.38 1j4t h SER 87 N 8.37 0.00 0.14 6.13 0.02 -1.95 -1.18 113.55 125.08 1j4t h SER 87 Ca -0.18 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.47 1j4t h SER 87 Cb 1.04 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.61 1j4t h SER 87 CO 0.40 0.07 -1.26 0.00 -1.14 0.00 0.00 176.83 174.90 1j4t h ALA 88 N 1.93 -0.03 -0.09 3.77 0.00 -1.94 -1.72 119.26 121.18 1j4t h ALA 88 Ca -0.00 -0.78 -0.00 0.00 0.00 0.00 0.00 54.91 54.13 1j4t h ALA 88 Cb 0.13 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1j4t h ALA 88 CO 0.01 0.67 0.00 1.28 0.00 0.00 0.00 179.25 181.21 1j4t n LEU 89 N -3.80 1.77 -3.30 0.00 7.99 -1.20 -4.88 117.00 113.59 1j4t n LEU 89 Ca -0.14 -0.89 -0.19 0.00 -0.01 0.00 0.00 56.01 54.78 1j4t n LEU 89 Cb 0.99 -0.53 0.00 0.00 -0.11 0.00 0.00 43.42 43.78 1j4t n LEU 89 CO 0.58 0.31 -0.18 0.00 -1.51 0.00 0.00 177.39 176.60 1j4t n ALA 90 N 0.10 -2.19 -2.78 -1.18 0.00 -0.65 -4.91 120.51 108.90 1j4t n ALA 90 Ca 0.04 -0.13 -0.15 0.00 0.00 0.00 0.00 53.44 53.20 1j4t n ALA 90 Cb 0.40 -0.62 -0.14 0.00 0.00 0.00 0.00 19.45 19.09 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 -2.43 0.42 0.00 0.00 -1.32 -0.47 -5.00 115.64 106.85 1j4t s THR 91 Ca 0.04 -0.38 0.03 0.00 -1.21 0.00 0.00 61.69 60.18 1j4t s THR 91 Cb -0.00 -0.38 -0.25 0.00 -1.51 0.00 0.00 72.50 70.35 1j4t s THR 91 CO 0.61 0.02 0.85 1.55 -2.21 0.00 0.00 174.62 175.44 1j4t h PRO 92 N 5.74 0.13 -7.11 7.08 0.13 -1.91 -3.31 132.00 132.75 1j4t h PRO 92 Ca -0.29 -0.22 -0.49 0.00 -0.87 0.00 0.00 66.00 64.13 1j4t h PRO 92 Cb 1.19 0.08 0.03 0.00 0.13 0.00 0.00 31.00 32.44 1j4t h PRO 92 CO 0.48 0.92 0.27 0.95 -0.23 0.00 0.00 178.00 180.39 1j4t s THR 93 N -2.63 4.74 0.42 1.56 -4.23 -1.26 -4.88 115.64 109.36 1j4t s THR 93 Ca -0.07 0.72 -0.25 0.00 -1.18 0.00 0.00 61.69 60.92 1j4t s THR 93 Cb 0.08 -3.81 -0.10 0.00 1.34 0.00 0.00 72.50 70.01 1j4t s THR 93 CO 0.83 -0.84 1.16 -2.65 -0.54 0.00 0.00 174.62 172.58 1j4t n PRO 94 N -2.07 1.66 -4.08 3.99 -0.02 -1.26 -4.42 135.00 128.80 1j4t n PRO 94 Ca 0.04 0.59 -0.14 0.00 -2.02 0.00 0.00 63.50 61.98 1j4t n PRO 94 Cb 0.54 -2.24 -0.11 0.00 -0.02 0.00 0.00 33.50 31.67 1j4t n PRO 94 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1j4t s VAL 95 N -1.23 0.63 -0.44 -1.45 1.01 0.08 -3.26 120.40 115.74 1j4t s VAL 95 Ca 0.62 -1.15 -0.27 0.00 0.00 0.00 0.00 61.98 61.17 1j4t s VAL 95 Cb -0.53 -0.73 0.03 0.00 0.00 0.00 0.00 36.38 35.15 1j4t s VAL 95 CO 0.57 -0.39 1.04 0.68 0.00 0.00 0.00 175.10 177.00 1j4t s VAL 96 N -1.48 4.37 -0.01 2.92 -7.23 -1.01 -1.25 120.40 116.70 1j4t s VAL 96 Ca -0.08 1.12 -0.19 0.00 -1.81 0.00 0.00 61.98 61.02 1j4t s VAL 96 Cb -0.09 -4.50 -0.30 0.00 0.56 0.00 0.00 36.38 32.05 1j4t s VAL 96 CO 0.00 -0.84 0.99 0.03 -0.31 0.00 0.00 175.10 174.97 1j4t h ARG 97 N 8.97 0.42 -4.33 4.82 2.47 -1.36 -3.04 114.38 122.34 1j4t h ARG 97 Ca -0.23 -0.62 -0.16 0.00 -1.26 0.00 0.00 59.98 57.70 1j4t h ARG 97 Cb 1.07 0.22 -0.15 0.00 -1.65 0.00 0.00 29.97 29.46 1j4t h ARG 97 CO 1.07 1.27 -0.61 0.45 0.56 0.00 0.00 179.97 182.71 1j4t s SER 98 N -7.11 0.31 -0.23 7.04 0.15 -1.17 -3.58 113.70 109.11 1j4t s SER 98 Ca -0.12 -1.12 -0.10 0.00 0.70 0.00 0.00 55.95 55.31 1j4t s SER 98 Cb 0.03 0.29 0.09 0.00 -1.71 0.00 0.00 66.02 64.72 1j4t s SER 98 CO 0.87 -0.72 0.52 -0.22 1.20 0.00 0.00 173.24 174.88 1j4t s LEU 99 N -3.01 -0.70 -0.04 3.45 2.96 -0.98 -2.10 118.68 118.26 1j4t s LEU 99 Ca 0.20 1.20 0.07 0.00 -0.22 0.00 0.00 54.13 55.38 1j4t s LEU 99 Cb 0.07 1.76 -0.02 0.00 0.50 0.00 0.00 46.19 48.50 1j4t s LEU 99 CO -0.01 -0.22 -0.25 0.42 -1.32 0.00 0.00 176.35 174.97 1j4t s THR 100 N 2.26 2.09 -0.11 3.68 -4.23 0.28 -2.16 115.64 117.45 1j4t s THR 100 Ca -0.06 -1.07 0.01 0.00 -1.18 0.00 0.00 61.69 59.39 1j4t s THR 100 Cb -0.10 -1.74 -0.02 0.00 1.34 0.00 0.00 72.50 71.99 1j4t s THR 100 CO -0.15 0.58 -0.14 -0.36 -0.54 0.00 0.00 174.62 174.00 1j4t s PHE 101 N -0.38 2.76 -0.12 3.99 0.08 -0.74 -2.58 117.98 120.99 1j4t s PHE 101 Ca 0.03 -0.56 0.03 0.00 0.12 0.00 0.00 56.93 56.56 1j4t s PHE 101 Cb -0.12 -1.78 0.00 0.00 -0.57 0.00 0.00 43.02 40.56 1j4t s PHE 101 CO 0.02 -0.13 -0.23 0.15 -0.10 0.00 0.00 175.22 174.93 1j4t s LYS 102 N 0.07 3.05 0.46 0.44 1.02 -1.12 0.39 119.74 124.06 1j4t s LYS 102 Ca -0.06 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 55.07 1j4t s LYS 102 Cb -0.15 -2.36 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 1j4t s LYS 102 CO 0.05 0.10 0.69 0.95 -0.92 0.00 0.00 175.35 176.22 1j4t s THR 103 N 0.53 3.83 -0.56 2.17 -4.23 0.31 0.17 115.64 117.86 1j4t s THR 103 Ca -0.14 -0.51 0.24 0.00 -1.18 0.00 0.00 61.69 60.10 1j4t s THR 103 Cb -0.17 -3.42 0.25 0.00 1.34 0.00 0.00 72.50 70.50 1j4t s THR 103 CO 0.05 -0.30 1.72 -0.46 -0.54 0.00 0.00 174.62 175.09 1j4t n ASN 104 N -2.12 0.67 -1.97 3.99 2.04 -0.83 -2.51 115.26 114.52 1j4t n ASN 104 Ca 0.02 0.64 -0.20 0.00 -0.44 0.00 0.00 54.58 54.60 1j4t n ASN 104 Cb 0.58 -0.79 0.13 0.00 -2.53 0.00 0.00 39.78 37.17 1j4t n ASN 104 CO 0.00 0.00 0.00 1.17 -0.44 0.00 0.00 177.26 177.99 1j4t n LYS 105 N -2.21 2.01 0.00 -3.83 3.00 -1.26 -4.93 118.16 110.94 1j4t n LYS 105 Ca 0.03 -2.35 0.00 0.00 -0.00 0.00 0.00 58.31 55.99 1j4t n LYS 105 Cb 0.27 -1.92 0.00 0.00 0.00 0.00 0.00 35.03 33.38 1j4t n LYS 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1j4t n GLY 106 N -0.72 0.99 3.46 3.14 0.00 -1.05 -4.96 105.19 106.05 1j4t n GLY 106 Ca 0.47 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 46.05 1j4t n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j4t n ARG 107 N 0.00 0.57 -4.45 1.61 1.74 -1.26 -4.47 116.66 110.39 1j4t n ARG 107 Ca 0.00 0.20 -0.21 0.00 -0.77 0.00 0.00 57.85 57.08 1j4t n ARG 107 Cb 0.00 -1.42 -0.15 0.00 -1.02 0.00 0.00 32.46 29.86 1j4t n ARG 107 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1j4t s THR 108 N -1.29 0.86 -0.51 0.55 -4.23 -1.26 -0.53 115.64 109.23 1j4t s THR 108 Ca 0.62 -0.42 -0.11 0.00 -1.18 0.00 0.00 61.69 60.60 1j4t s THR 108 Cb -0.70 -0.75 0.13 0.00 1.34 0.00 0.00 72.50 72.52 1j4t s THR 108 CO 0.58 0.26 0.41 -0.36 -0.54 0.00 0.00 174.62 174.97 1j4t s PHE 109 N 0.05 3.40 0.36 3.99 0.40 0.16 -4.93 117.98 121.42 1j4t s PHE 109 Ca -0.01 -1.77 -0.08 0.00 -0.60 0.00 0.00 56.93 54.47 1j4t s PHE 109 Cb -0.08 -3.58 -0.07 0.00 0.51 0.00 0.00 43.02 39.81 1j4t s PHE 109 CO 0.00 -1.00 -0.24 0.41 0.70 0.00 0.00 175.22 175.09 1j4t n GLY 110 N 4.89 -1.86 3.64 4.36 0.00 -1.26 -1.80 105.19 113.16 1j4t n GLY 110 Ca -0.08 -0.25 -0.46 0.00 0.00 0.00 0.00 46.02 45.23 1j4t n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j4t n PRO 111 N 0.95 1.73 -4.62 1.61 -0.04 -1.26 -4.65 135.00 128.72 1j4t n PRO 111 Ca 0.01 0.61 -0.33 0.00 -0.04 0.00 0.00 63.50 63.76 1j4t n PRO 111 Cb 0.24 -2.22 -0.11 0.00 -0.04 0.00 0.00 33.50 31.37 1j4t n PRO 111 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1j4t s TYR 112 N -0.10 2.85 0.05 0.54 2.02 -0.92 -4.93 117.35 116.86 1j4t s TYR 112 Ca 0.70 -0.05 0.00 0.00 -0.37 0.00 0.00 57.07 57.35 1j4t s TYR 112 Cb -0.72 -1.64 0.00 0.00 -0.40 0.00 0.00 41.96 39.20 1j4t s TYR 112 CO 0.50 0.31 0.00 0.41 -1.57 0.00 0.00 175.55 175.21 1j4t n GLY 113 N 1.95 -2.49 3.84 0.71 0.00 -1.26 -2.33 105.19 105.62 1j4t n GLY 113 Ca -0.17 -1.43 -0.34 0.00 0.00 0.00 0.00 46.02 44.08 1j4t n GLY 113 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1j4t s ASP 114 N -4.51 6.85 -1.16 1.61 1.47 -1.22 -4.72 116.67 114.99 1j4t s ASP 114 Ca 0.00 1.22 -0.16 0.00 1.18 0.00 0.00 52.55 54.80 1j4t s ASP 114 Cb 0.00 -2.35 -0.06 0.00 -0.34 0.00 0.00 42.92 40.18 1j4t s ASP 114 CO 0.00 -0.04 2.18 -0.62 0.68 0.00 0.00 175.17 177.37 1j4t n GLU 115 N 0.29 2.35 -5.22 2.11 1.02 -1.26 -4.13 120.64 115.80 1j4t n GLU 115 Ca -0.01 -2.16 -0.31 0.00 -0.02 0.00 0.00 57.16 54.66 1j4t n GLU 115 Cb 0.52 -3.02 -0.16 0.00 -0.02 0.00 0.00 31.44 28.77 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 3.79 2.05 0.00 3.49 2.56 -1.26 -4.99 118.70 124.34 1j4t s GLU 116 Ca 0.52 -0.97 0.00 0.00 0.00 0.00 0.00 54.97 54.53 1j4t s GLU 116 Cb 0.14 -2.03 0.00 0.00 2.00 0.00 0.00 34.13 34.24 1j4t s GLU 116 CO -0.00 0.55 0.00 0.41 -0.56 0.00 0.00 175.26 175.66 1j4t n GLY 117 N 2.29 -0.67 3.73 -1.50 0.00 -1.26 -3.99 105.19 103.80 1j4t n GLY 117 Ca -0.16 -2.07 -0.39 0.00 0.00 0.00 0.00 46.02 43.40 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 0.00 5.02 0.12 2.61 -1.32 -0.78 -4.70 115.64 116.59 1j4t s THR 118 Ca 0.00 1.30 -0.30 0.00 -1.21 0.00 0.00 61.69 61.47 1j4t s THR 118 Cb 0.00 -3.97 -0.07 0.00 -1.51 0.00 0.00 72.50 66.95 1j4t s THR 118 CO 0.00 0.32 1.22 -0.47 -2.21 0.00 0.00 174.62 173.48 1j4t s TYR 119 N 0.45 3.41 0.17 9.09 5.04 -1.26 0.29 117.35 134.54 1j4t s TYR 119 Ca 0.33 1.30 0.10 0.00 -2.44 0.00 0.00 57.07 56.36 1j4t s TYR 119 Cb -0.17 -3.46 -0.04 0.00 0.35 0.00 0.00 41.96 38.64 1j4t s TYR 119 CO 0.16 -1.40 -0.16 -0.59 -1.34 0.00 0.00 175.55 172.23 1j4t s PHE 120 N 0.64 2.51 -0.21 4.97 -0.71 -0.30 -4.96 117.98 119.91 1j4t s PHE 120 Ca 0.57 -0.27 -0.11 0.00 -1.04 0.00 0.00 56.93 56.08 1j4t s PHE 120 Cb -0.32 -1.25 0.07 0.00 -1.21 0.00 0.00 43.02 40.32 1j4t s PHE 120 CO 0.32 0.49 0.51 1.21 -1.34 0.00 0.00 175.22 176.40 1j4t s ASN 121 N -2.66 -0.64 -0.40 1.98 2.47 -1.26 -2.01 114.94 112.42 1j4t s ASN 121 Ca 0.22 1.13 0.02 0.00 0.42 0.00 0.00 52.86 54.65 1j4t s ASN 121 Cb -0.09 1.14 0.12 0.00 -1.45 0.00 0.00 41.25 40.97 1j4t s ASN 121 CO 0.13 -0.21 0.19 -0.22 -3.72 0.00 0.00 177.10 173.26 1j4t s LEU 122 N 1.76 2.83 0.13 3.21 2.96 -0.41 -5.01 118.68 124.16 1j4t s LEU 122 Ca -0.08 -2.36 -0.27 0.00 -0.22 0.00 0.00 54.13 51.19 1j4t s LEU 122 Cb -0.08 -1.07 -0.07 0.00 0.50 0.00 0.00 46.19 45.47 1j4t s LEU 122 CO -0.15 -0.31 0.86 -2.84 -1.32 0.00 0.00 176.35 172.58 1j4t s PRO 123 N 0.68 4.64 -0.25 0.98 0.02 -1.26 -2.79 135.00 137.02 1j4t s PRO 123 Ca 0.15 1.28 -0.02 0.00 0.02 0.00 0.00 61.00 62.43 1j4t s PRO 123 Cb -0.22 -3.32 0.02 0.00 0.02 0.00 0.00 34.50 30.99 1j4t s PRO 123 CO -0.06 0.39 -0.05 0.42 -0.33 0.00 0.00 177.00 177.36 1j4t s ILE 124 N -0.55 2.98 -0.13 2.83 1.01 -0.92 -4.98 121.20 121.44 1j4t s ILE 124 Ca 0.41 -0.96 -0.24 0.00 0.00 0.00 0.00 60.65 59.86 1j4t s ILE 124 Cb -0.23 -2.50 -0.26 0.00 0.01 0.00 0.00 42.46 39.48 1j4t s ILE 124 CO 0.27 0.21 0.63 -0.33 0.00 0.00 0.00 174.94 175.72 1j4t h GLU 125 N 8.03 0.10 -3.50 2.79 5.08 -1.97 -3.45 114.58 121.66 1j4t h GLU 125 Ca -0.33 -0.17 -0.49 0.00 -1.00 0.00 0.00 59.36 57.37 1j4t h GLU 125 Cb 1.11 0.06 -0.40 0.00 0.50 0.00 0.00 28.75 30.03 1j4t h GLU 125 CO 0.58 1.08 -0.76 1.21 -1.00 0.00 0.00 179.01 180.12 1j4t s ASN 126 N -6.65 2.52 0.00 1.42 2.47 -1.26 -5.11 114.94 108.33 1j4t s ASN 126 Ca -0.20 -0.62 0.00 0.00 0.42 0.00 0.00 52.86 52.46 1j4t s ASN 126 Cb 0.01 -0.50 0.00 0.00 -1.45 0.00 0.00 41.25 39.31 1j4t s ASN 126 CO 0.71 -0.29 0.00 0.61 -3.72 0.00 0.00 177.10 174.41 1j4t n GLY 127 N 5.11 -2.36 3.02 1.21 0.00 -1.26 -5.01 105.19 105.89 1j4t n GLY 127 Ca -0.08 -1.35 -0.13 0.00 0.00 0.00 0.00 46.02 44.46 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 0.60 -0.15 0.99 2.96 0.35 -4.92 118.68 118.50 1j4t s LEU 128 Ca 0.00 0.44 -0.29 0.00 -0.22 0.00 0.00 54.13 54.06 1j4t s LEU 128 Cb 0.00 0.62 -0.02 0.00 0.50 0.00 0.00 46.19 47.29 1j4t s LEU 128 CO 0.00 -0.15 1.33 -0.63 -1.32 0.00 0.00 176.35 175.58 1j4t s ILE 129 N 1.11 4.16 -0.85 6.68 1.01 -1.26 -1.00 121.20 131.05 1j4t s ILE 129 Ca -0.08 1.40 0.07 0.00 0.00 0.00 0.00 60.65 62.04 1j4t s ILE 129 Cb -0.10 -3.91 0.07 0.00 0.01 0.00 0.00 42.46 38.53 1j4t s ILE 129 CO -0.07 -0.13 0.77 0.55 0.00 0.00 0.00 174.94 176.06 1j4t n VAL 130 N 5.42 0.10 0.00 2.92 3.14 0.48 -4.45 118.33 125.94 1j4t n VAL 130 Ca 0.14 -0.55 0.00 0.00 -2.96 0.00 0.00 64.34 60.97 1j4t n VAL 130 Cb 0.45 1.08 0.00 0.00 -1.06 0.00 0.00 33.84 34.31 1j4t n VAL 130 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1j4t n GLY 131 N 0.37 0.65 3.32 7.55 0.00 -1.21 -0.39 105.19 115.48 1j4t n GLY 131 Ca 0.04 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 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 2.39 0.52 1.61 0.08 -1.25 -1.79 117.98 117.54 1j4t s PHE 132 Ca 0.00 -0.47 0.05 0.00 0.12 0.00 0.00 56.93 56.64 1j4t s PHE 132 Cb 0.00 -1.53 0.05 0.00 -0.57 0.00 0.00 43.02 40.97 1j4t s PHE 132 CO 0.00 -0.05 0.44 1.17 -0.10 0.00 0.00 175.22 176.67 1j4t n LYS 133 N 2.53 0.72 -2.35 0.44 4.81 -0.97 -1.66 118.16 121.67 1j4t n LYS 133 Ca -0.16 -3.16 0.00 0.00 -0.87 0.00 0.00 58.31 54.11 1j4t n LYS 133 Cb 0.51 0.26 0.00 0.00 0.02 0.00 0.00 35.03 35.82 1j4t n LYS 133 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1j4t n GLY 134 N -1.24 -1.00 3.05 3.14 0.00 -1.10 -3.34 105.19 104.70 1j4t n GLY 134 Ca 0.01 -1.56 -0.13 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.73 0.19 -0.08 1.61 0.52 -1.05 0.18 118.95 118.59 1j4t s ARG 135 Ca 0.00 0.62 0.01 0.00 -0.52 0.00 0.00 55.73 55.84 1j4t s ARG 135 Cb 0.00 -0.09 0.02 0.00 0.52 0.00 0.00 34.95 35.41 1j4t s ARG 135 CO 0.00 -0.21 -0.08 0.99 0.02 0.00 0.00 175.30 176.02 1j4t s THR 136 N 1.69 0.94 0.00 0.02 2.01 -1.19 0.86 115.64 119.97 1j4t s THR 136 Ca -0.06 -0.30 0.00 0.00 0.31 0.00 0.00 61.69 61.64 1j4t s THR 136 Cb -0.11 -0.93 0.00 0.00 0.01 0.00 0.00 72.50 71.47 1j4t s THR 136 CO -0.09 0.33 0.00 0.61 -0.69 0.00 0.00 174.62 174.79 1j4t n GLY 137 N 4.43 0.98 0.12 4.40 0.00 -1.26 -1.47 105.19 112.38 1j4t n GLY 137 Ca -0.18 -0.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.65 1j4t n GLY 137 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1j4t h ASP 138 N 0.00 0.35 -1.09 1.61 3.32 -1.97 -3.47 116.42 115.17 1j4t h ASP 138 Ca 0.00 -0.57 -0.65 0.00 0.02 0.00 0.00 57.03 55.83 1j4t h ASP 138 Cb 0.00 -0.11 -0.13 0.00 0.22 0.00 0.00 39.33 39.31 1j4t h ASP 138 CO 0.00 1.49 -0.52 -0.76 -1.72 0.00 0.00 179.24 177.73 1j4t s LEU 139 N -6.88 2.23 -0.53 1.55 2.01 -1.26 -4.47 118.68 111.33 1j4t s LEU 139 Ca -0.12 -1.65 -0.29 0.00 0.01 0.00 0.00 54.13 52.09 1j4t s LEU 139 Cb 0.07 -0.58 0.03 0.00 0.01 0.00 0.00 46.19 45.72 1j4t s LEU 139 CO 0.83 -0.86 1.21 -0.22 1.01 0.00 0.00 176.35 178.32 1j4t s LEU 140 N -3.81 3.52 0.25 1.79 2.96 -0.98 -4.28 118.68 118.15 1j4t s LEU 140 Ca 0.11 0.31 0.16 0.00 -0.22 0.00 0.00 54.13 54.49 1j4t s LEU 140 Cb 0.02 -3.33 0.05 0.00 0.50 0.00 0.00 46.19 43.42 1j4t s LEU 140 CO 0.06 -1.41 1.36 0.44 -1.32 0.00 0.00 176.35 175.47 1j4t h ASP 141 N 9.64 0.00 -5.06 3.68 5.19 0.17 -2.68 116.42 127.35 1j4t h ASP 141 Ca -0.25 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.11 1j4t h ASP 141 Cb 1.06 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 40.44 1j4t h ASP 141 CO 1.16 0.48 -0.06 0.00 -3.12 0.00 0.00 179.24 177.70 1j4t s ALA 142 N -2.98 -1.00 0.00 3.45 0.00 -1.14 -0.77 121.76 119.33 1j4t s ALA 142 Ca 0.03 0.06 -0.04 0.00 0.00 0.00 0.00 51.96 52.01 1j4t s ALA 142 Cb 0.08 0.64 -0.01 0.00 0.00 0.00 0.00 23.12 23.83 1j4t s ALA 142 CO 0.75 -0.62 0.06 -1.50 0.00 0.00 0.00 175.76 174.45 1j4t s ILE 143 N -3.56 0.08 0.29 0.00 2.07 -1.05 -2.53 121.20 116.50 1j4t s ILE 143 Ca 0.01 -0.68 -0.06 0.00 -1.41 0.00 0.00 60.65 58.52 1j4t s ILE 143 Cb 0.01 -0.32 -0.01 0.00 0.13 0.00 0.00 42.46 42.28 1j4t s ILE 143 CO -0.10 -0.37 0.43 -0.83 -1.91 0.00 0.00 174.94 172.15 1j4t s GLY 144 N -1.20 1.18 0.02 1.50 0.00 -1.21 -1.03 107.32 106.58 1j4t s GLY 144 Ca -0.13 -1.34 0.01 0.00 0.00 0.00 0.00 44.72 43.26 1j4t s GLY 144 CO 0.00 -0.94 -0.05 -1.50 0.00 0.00 0.00 173.10 170.62 1j4t s ILE 145 N -3.51 0.28 -0.23 0.90 1.10 -0.64 -2.30 121.20 116.80 1j4t s ILE 145 Ca 0.29 -0.79 -0.07 0.00 -0.51 0.00 0.00 60.65 59.58 1j4t s ILE 145 Cb 0.01 -0.36 -0.03 0.00 0.15 0.00 0.00 42.46 42.23 1j4t s ILE 145 CO 0.16 -0.34 0.05 -1.00 -2.11 0.00 0.00 174.94 171.69 1j4t s HIS 146 N -1.12 3.08 0.10 3.50 3.76 -0.74 -0.31 115.29 123.56 1j4t s HIS 146 Ca -0.10 -0.43 0.08 0.00 -0.15 0.00 0.00 55.06 54.46 1j4t s HIS 146 Cb -0.08 -2.18 -0.03 0.00 1.11 0.00 0.00 32.58 31.39 1j4t s HIS 146 CO -0.00 -0.31 -0.21 -1.64 -0.85 0.00 0.00 174.74 171.73 1j4t s MET 147 N 1.37 1.14 0.30 1.40 -1.94 -0.36 -0.39 119.30 120.82 1j4t s MET 147 Ca 0.05 -1.15 -0.17 0.00 -1.71 0.00 0.00 55.69 52.70 1j4t s MET 147 Cb -0.15 -1.40 0.02 0.00 2.01 0.00 0.00 34.83 35.32 1j4t s MET 147 CO 0.03 0.33 0.68 -1.54 -0.01 0.00 0.00 175.02 174.50 1j4t s SER 148 N -1.87 -0.11 0.00 3.03 1.04 -0.17 -3.23 113.70 112.40 1j4t s SER 148 Ca 0.06 -0.83 0.29 0.00 0.48 0.00 0.00 55.95 55.95 1j4t s SER 148 Cb -0.10 0.73 1.35 0.00 0.10 0.00 0.00 66.02 68.10 1j4t s SER 148 CO 0.04 -1.39 1.92 0.18 0.98 0.00 0.00 173.24 174.97