#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2joz s ILE 2 N 0.00 3.99 -0.79 1.12 1.01 -1.26 -4.95 121.20 120.32 2joz s ILE 2 Ca 0.00 1.09 -0.19 0.00 0.00 0.00 0.00 60.65 61.55 2joz s ILE 2 Cb 0.00 -4.07 0.12 0.00 0.01 0.00 0.00 42.46 38.52 2joz s ILE 2 CO 0.00 -0.51 0.96 -0.04 0.00 0.00 0.00 174.94 175.35 2joz s MET 3 N 4.47 3.38 0.02 2.79 -1.94 -1.26 -5.01 119.30 121.75 2joz s MET 3 Ca 0.61 -1.56 -0.01 0.00 -1.71 0.00 0.00 55.69 53.02 2joz s MET 3 Cb -0.18 -4.58 -0.04 0.00 2.01 0.00 0.00 34.83 32.05 2joz s MET 3 CO 0.27 -1.67 0.13 0.54 -0.01 0.00 0.00 175.02 174.28 2joz s VAL 4 N 2.66 5.03 -0.03 -6.03 0.11 -1.26 -5.11 120.40 115.77 2joz s VAL 4 Ca 0.24 -0.38 0.01 0.00 -2.93 0.00 0.00 61.98 58.91 2joz s VAL 4 Cb -0.12 -3.36 0.02 0.00 -1.53 0.00 0.00 36.38 31.38 2joz s VAL 4 CO -0.02 0.27 -0.02 -0.55 -3.33 0.00 0.00 175.10 171.45 2joz s SER 5 N -2.03 0.53 0.00 3.54 0.15 -1.26 -5.12 113.70 109.51 2joz s SER 5 Ca 0.27 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.86 2joz s SER 5 Cb -0.12 -0.23 0.00 0.00 -1.71 0.00 0.00 66.02 63.96 2joz s SER 5 CO 0.19 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.19 2joz n GLY 6 N 3.83 -1.00 3.62 9.45 0.00 -1.26 -5.16 105.19 114.67 2joz n GLY 6 Ca -0.23 -1.18 -0.08 0.00 0.00 0.00 0.00 46.02 44.53 2joz n GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2joz s GLN 8 N -0.23 1.70 -0.59 0.00 -0.21 -1.26 -5.09 119.66 113.97 2joz s GLN 8 Ca 0.03 -0.90 0.01 0.00 0.02 0.00 0.00 55.36 54.51 2joz s GLN 8 Cb -0.04 -1.73 0.15 0.00 1.00 0.00 0.00 33.01 32.39 2joz s GLN 8 CO -0.06 0.46 0.37 -0.65 -2.12 0.00 0.00 175.29 173.30 2joz s GLN 9 N -0.85 2.32 0.00 2.91 -0.21 -1.26 -5.05 119.66 117.52 2joz s GLN 9 Ca 0.09 -2.64 0.00 0.00 0.02 0.00 0.00 55.36 52.83 2joz s GLN 9 Cb -0.09 -3.54 0.00 0.00 1.00 0.00 0.00 33.01 30.38 2joz s GLN 9 CO 0.00 -1.15 0.00 1.04 -2.12 0.00 0.00 175.29 173.06 2joz n GLN 10 N 3.21 1.54 -2.82 2.91 6.02 -1.26 -5.14 117.38 121.84 2joz n GLN 10 Ca 0.07 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.73 2joz n GLN 10 Cb 0.35 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.54 2joz n GLN 10 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2joz s LYS 11 N -1.86 4.27 0.30 -1.09 1.02 -1.26 -5.00 119.74 116.12 2joz s LYS 11 Ca 0.00 1.14 -0.29 0.00 0.02 0.00 0.00 55.97 56.83 2joz s LYS 11 Cb 0.00 -2.25 -0.11 0.00 -0.52 0.00 0.00 37.83 34.95 2joz s LYS 11 CO 0.00 0.01 1.48 -1.21 -0.92 0.00 0.00 175.35 174.70 2joz s GLU 12 N -3.06 4.20 0.29 1.68 8.01 -1.26 -5.03 118.70 123.54 2joz s GLU 12 Ca 0.61 2.43 0.00 0.00 0.01 0.00 0.00 54.97 58.02 2joz s GLU 12 Cb -0.10 -3.05 0.06 0.00 -4.31 0.00 0.00 34.13 26.73 2joz s GLU 12 CO 0.14 -0.48 0.40 -1.91 0.01 0.00 0.00 175.26 173.42 2joz n GLU 13 N 1.64 0.35 -1.98 1.61 0.00 -1.26 -5.00 120.64 116.00 2joz n GLU 13 Ca 0.05 -1.09 -0.42 0.00 0.00 0.00 0.00 57.16 55.69 2joz n GLU 13 Cb 0.39 -0.26 -0.03 0.00 0.00 0.00 0.00 31.44 31.55 2joz n GLU 13 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.13 177.05 2joz s THR 14 N -1.06 3.54 -0.80 6.31 -1.32 -1.26 -4.92 115.64 116.13 2joz s THR 14 Ca 0.26 0.65 -0.25 0.00 -1.21 0.00 0.00 61.69 61.14 2joz s THR 14 Cb -0.02 -3.43 0.04 0.00 -1.51 0.00 0.00 72.50 67.59 2joz s THR 14 CO 0.17 -0.07 1.28 -2.16 -2.21 0.00 0.00 174.62 171.63 2joz s PRO 15 N 4.13 3.28 0.07 7.08 0.05 -1.26 -4.81 135.00 143.54 2joz s PRO 15 Ca 0.75 -0.54 0.26 0.00 0.05 0.00 0.00 61.00 61.52 2joz s PRO 15 Cb -0.34 -4.46 1.02 0.00 0.05 0.00 0.00 34.50 30.78 2joz s PRO 15 CO 0.30 -2.12 1.81 1.97 0.05 0.00 0.00 177.00 179.02 2joz n PHE 16 N 9.02 0.29 1.17 0.56 -1.74 -1.26 -2.77 117.46 122.72 2joz n PHE 16 Ca 0.09 0.09 0.12 0.00 -0.56 0.00 0.00 57.45 57.20 2joz n PHE 16 Cb 0.49 -0.65 0.25 0.00 1.52 0.00 0.00 39.48 41.09 2joz n PHE 16 CO 0.00 0.00 0.00 2.48 -0.56 0.00 0.00 176.76 178.68 2joz n TYR 17 N -1.74 0.00 -2.52 2.97 4.11 -1.26 -4.92 117.16 113.79 2joz n TYR 17 Ca 0.06 0.00 -0.41 0.00 -0.00 0.00 0.00 57.90 57.55 2joz n TYR 17 Cb 0.33 -0.07 -0.04 0.00 -0.00 0.00 0.00 39.34 39.56 2joz n TYR 17 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.86 176.39 2joz s TYR 18 N -2.43 3.60 -1.74 -3.48 5.04 -1.12 -4.56 117.35 112.67 2joz s TYR 18 Ca 0.24 1.60 0.00 0.00 -2.44 0.00 0.00 57.07 56.47 2joz s TYR 18 Cb 0.19 -3.27 0.00 0.00 0.35 0.00 0.00 41.96 39.23 2joz s TYR 18 CO 0.51 -0.59 0.00 0.41 -1.34 0.00 0.00 175.55 174.54 2joz n GLY 19 N 2.06 0.55 3.49 8.97 0.00 -1.21 -4.97 105.19 114.08 2joz n GLY 19 Ca 0.03 -2.16 -0.34 0.00 0.00 0.00 0.00 46.02 43.54 2joz n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2joz s THR 20 N -0.81 3.95 0.05 2.61 2.01 -1.26 -1.23 115.64 120.95 2joz s THR 20 Ca 0.00 -0.33 0.05 0.00 0.31 0.00 0.00 61.69 61.72 2joz s THR 20 Cb 0.00 -2.75 -0.04 0.00 0.01 0.00 0.00 72.50 69.72 2joz s THR 20 CO 0.00 0.47 -0.06 0.26 -0.69 0.00 0.00 174.62 174.60 2joz s TRP 21 N 0.57 2.86 -0.08 4.92 0.52 0.93 -1.89 118.94 126.77 2joz s TRP 21 Ca -0.02 -0.07 -0.01 0.00 0.02 0.00 0.00 56.10 56.03 2joz s TRP 21 Cb -0.14 -1.55 -0.03 0.00 -1.15 0.00 0.00 33.47 30.60 2joz s TRP 21 CO 0.02 0.40 -0.04 0.34 0.02 0.00 0.00 176.95 177.70 2joz s ASP 22 N -1.78 4.88 0.11 2.95 -1.08 0.10 -2.14 116.67 119.70 2joz s ASP 22 Ca 0.20 0.03 -0.27 0.00 -0.52 0.00 0.00 52.55 52.00 2joz s ASP 22 Cb -0.11 -1.33 -0.09 0.00 -1.46 0.00 0.00 42.92 39.93 2joz s ASP 22 CO 0.11 0.35 1.44 -0.33 0.52 0.00 0.00 175.17 177.27 2joz h GLU 23 N 5.32 -0.29 -1.19 4.34 4.39 -1.87 -2.20 114.58 123.08 2joz h GLU 23 Ca -0.48 0.02 -0.40 0.00 0.34 0.00 0.00 59.36 58.83 2joz h GLU 23 Cb 1.18 0.07 -0.14 0.00 -0.10 0.00 0.00 28.75 29.76 2joz h GLU 23 CO 0.54 -0.19 -0.39 0.41 -1.16 0.00 0.00 179.01 178.22 2joz n GLY 24 N -1.30 1.59 0.00 -3.84 0.00 -1.26 -4.10 105.19 96.28 2joz n GLY 24 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2joz n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2joz n ARG 25 N -2.49 2.36 -2.87 1.61 5.12 -1.26 -5.03 116.66 114.11 2joz n ARG 25 Ca -0.20 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.37 2joz n ARG 25 Cb 0.65 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.89 2joz n ARG 25 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2joz s ALA 26 N -2.00 3.18 0.70 7.54 0.00 -1.26 -5.03 121.76 124.90 2joz s ALA 26 Ca 0.00 0.39 -0.16 0.00 0.00 0.00 0.00 51.96 52.19 2joz s ALA 26 Cb 0.00 -3.09 -0.00 0.00 0.00 0.00 0.00 23.12 20.03 2joz s ALA 26 CO 0.00 0.19 0.95 -2.30 0.00 0.00 0.00 175.76 174.61 2joz n PRO 27 N 0.05 0.57 0.00 0.00 -0.02 -1.26 -5.02 135.00 129.31 2joz n PRO 27 Ca 0.03 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 2joz n PRO 27 Cb 0.52 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 2joz n PRO 27 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2joz n GLY 28 N 1.15 1.21 3.57 -1.23 0.00 -1.12 -4.95 105.19 103.82 2joz n GLY 28 Ca 0.13 -1.78 -0.52 0.00 0.00 0.00 0.00 46.02 43.85 2joz n GLY 28 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2joz n PRO 29 N 0.00 1.37 -1.90 1.61 -0.04 -1.26 -4.83 135.00 129.95 2joz n PRO 29 Ca 0.00 0.45 -0.42 0.00 -0.04 0.00 0.00 63.50 63.49 2joz n PRO 29 Cb 0.00 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.03 2joz n PRO 29 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2joz n THR 30 N 6.10 3.68 0.06 0.52 5.66 -1.26 -3.99 114.28 125.04 2joz n THR 30 Ca 0.33 -3.37 0.00 0.00 -3.05 0.00 0.00 64.05 57.96 2joz n THR 30 Cb 0.22 -2.54 0.00 0.00 -1.55 0.00 0.00 70.33 66.46 2joz n THR 30 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2joz n ASP 31 N 5.67 0.36 0.00 1.09 2.03 -1.26 -5.03 116.55 119.41 2joz n ASP 31 Ca 0.49 0.20 0.00 0.00 0.52 0.00 0.00 54.79 56.00 2joz n ASP 31 Cb 0.39 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.79 2joz n ASP 31 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2joz n GLY 32 N 2.61 0.00 3.76 0.27 0.00 -1.26 -4.97 105.19 105.60 2joz n GLY 32 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2joz n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2joz s VAL 33 N -1.98 5.09 -0.05 1.61 1.01 -1.26 -1.86 120.40 122.97 2joz s VAL 33 Ca 0.00 0.98 0.12 0.00 0.00 0.00 0.00 61.98 63.08 2joz s VAL 33 Cb 0.00 -3.81 -0.19 0.00 0.00 0.00 0.00 36.38 32.38 2joz s VAL 33 CO 0.00 0.40 0.28 0.29 0.00 0.00 0.00 175.10 176.08 2joz n LYS 34 N 3.06 0.55 -3.65 2.72 5.02 0.07 -4.18 118.16 121.75 2joz n LYS 34 Ca -0.09 -0.10 -0.08 0.00 -2.02 0.00 0.00 58.31 56.02 2joz n LYS 34 Cb 0.52 -1.28 -0.02 0.00 -0.02 0.00 0.00 35.03 34.23 2joz n LYS 34 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2joz s SER 35 N -3.33 -0.36 0.02 4.39 0.01 -1.23 -2.78 113.70 110.42 2joz s SER 35 Ca -0.04 -0.30 0.01 0.00 1.31 0.00 0.00 55.95 56.93 2joz s SER 35 Cb 0.08 0.61 -0.01 0.00 0.21 0.00 0.00 66.02 66.90 2joz s SER 35 CO 0.51 -1.06 -0.04 0.00 0.41 0.00 0.00 173.24 173.05 2joz s ALA 36 N -3.67 0.32 -0.07 1.44 0.00 -1.26 -0.42 121.76 118.10 2joz s ALA 36 Ca 0.07 -0.42 0.04 0.00 0.00 0.00 0.00 51.96 51.66 2joz s ALA 36 Cb -0.03 0.01 -0.00 0.00 0.00 0.00 0.00 23.12 23.10 2joz s ALA 36 CO -0.02 -0.01 -0.21 0.95 0.00 0.00 0.00 175.76 176.47 2joz s THR 37 N -0.75 1.77 -0.14 0.00 -4.23 0.38 -3.71 115.64 108.96 2joz s THR 37 Ca -0.06 -0.87 -0.01 0.00 -1.18 0.00 0.00 61.69 59.57 2joz s THR 37 Cb -0.06 -1.53 -0.02 0.00 1.34 0.00 0.00 72.50 72.24 2joz s THR 37 CO -0.00 0.50 -0.10 0.54 -0.54 0.00 0.00 174.62 175.02 2joz s VAL 38 N 0.22 3.33 -0.12 2.29 0.11 -0.91 0.30 120.40 125.62 2joz s VAL 38 Ca -0.12 -0.56 0.02 0.00 -2.93 0.00 0.00 61.98 58.39 2joz s VAL 38 Cb -0.15 -2.42 -0.00 0.00 -1.53 0.00 0.00 36.38 32.27 2joz s VAL 38 CO 0.05 0.51 -0.20 -0.89 -3.33 0.00 0.00 175.10 171.25 2joz s THR 39 N 0.36 2.34 -0.31 5.04 2.01 0.47 -0.05 115.64 125.52 2joz s THR 39 Ca -0.09 -0.90 -0.12 0.00 0.31 0.00 0.00 61.69 60.89 2joz s THR 39 Cb -0.15 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 2joz s THR 39 CO 0.05 0.54 0.21 -0.36 -0.69 0.00 0.00 174.62 174.37 2joz s PHE 40 N 0.51 3.22 0.54 4.92 0.08 -0.37 -1.23 117.98 125.65 2joz s PHE 40 Ca -0.13 -0.04 0.09 0.00 0.12 0.00 0.00 56.93 56.96 2joz s PHE 40 Cb -0.17 -2.42 0.06 0.00 -0.57 0.00 0.00 43.02 39.93 2joz s PHE 40 CO 0.05 -0.25 0.68 0.99 -0.10 0.00 0.00 175.22 176.58 2joz s THR 41 N 1.74 2.22 0.15 0.64 2.01 -0.22 -3.36 115.64 118.82 2joz s THR 41 Ca 0.07 -1.09 -0.24 0.00 0.31 0.00 0.00 61.69 60.73 2joz s THR 41 Cb -0.17 -2.31 0.01 0.00 0.01 0.00 0.00 72.50 70.04 2joz s THR 41 CO 0.11 0.00 1.61 -0.08 -0.69 0.00 0.00 174.62 175.57 2joz h GLU 42 N 0.38 -0.31 0.00 4.92 4.81 -2.03 -3.34 114.58 119.01 2joz h GLU 42 Ca -0.33 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.91 2joz h GLU 42 Cb 1.29 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.74 2joz h GLU 42 CO 0.45 -0.21 -1.17 -3.47 -0.73 0.00 0.00 179.01 173.88 2joz n ASP 43 N -5.41 4.20 -4.28 1.04 2.03 -1.26 -5.05 116.55 107.83 2joz n ASP 43 Ca -0.01 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.12 2joz n ASP 43 Cb 0.32 1.09 -0.11 0.00 -0.72 0.00 0.00 41.12 41.70 2joz n ASP 43 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2joz s GLU 44 N -2.22 1.13 -0.18 -0.67 1.03 -1.25 -2.91 118.70 113.62 2joz s GLU 44 Ca -0.01 -1.38 -0.05 0.00 0.03 0.00 0.00 54.97 53.56 2joz s GLU 44 Cb 0.02 -0.96 -0.03 0.00 -0.80 0.00 0.00 34.13 32.36 2joz s GLU 44 CO 0.14 0.17 0.01 0.08 -1.33 0.00 0.00 175.26 174.33 2joz s VAL 45 N -2.53 4.18 -0.17 1.83 1.01 0.17 -1.05 120.40 123.83 2joz s VAL 45 Ca 0.14 -0.25 -0.00 0.00 0.00 0.00 0.00 61.98 61.87 2joz s VAL 45 Cb -0.03 -2.87 -0.00 0.00 0.00 0.00 0.00 36.38 33.48 2joz s VAL 45 CO 0.04 0.45 -0.14 -0.69 0.00 0.00 0.00 175.10 174.76 2joz s VAL 46 N 0.68 2.72 -0.12 2.92 1.01 -0.36 -1.41 120.40 125.84 2joz s VAL 46 Ca 0.00 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 2joz s VAL 46 Cb -0.14 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 2joz s VAL 46 CO 0.02 0.50 0.02 -0.70 0.00 0.00 0.00 175.10 174.94 2joz s GLU 47 N 0.95 3.37 -0.18 2.72 2.12 -1.26 -0.39 118.70 126.02 2joz s GLU 47 Ca -0.02 -0.39 -0.04 0.00 0.36 0.00 0.00 54.97 54.87 2joz s GLU 47 Cb -0.15 -2.94 -0.02 0.00 0.26 0.00 0.00 34.13 31.28 2joz s GLU 47 CO -0.02 0.53 -0.02 0.95 -0.54 0.00 0.00 175.26 176.15 2joz s THR 48 N -0.39 3.82 -0.21 -1.70 -4.23 0.15 -0.75 115.64 112.33 2joz s THR 48 Ca 0.08 -0.37 -0.12 0.00 -1.18 0.00 0.00 61.69 60.10 2joz s THR 48 Cb -0.12 -2.70 -0.05 0.00 1.34 0.00 0.00 72.50 70.97 2joz s THR 48 CO 0.02 0.45 0.23 -1.61 -0.54 0.00 0.00 174.62 173.17 2joz s GLU 49 N 0.80 4.14 -0.43 3.99 2.02 0.41 -0.47 118.70 129.16 2joz s GLU 49 Ca -0.01 -0.11 -0.24 0.00 0.02 0.00 0.00 54.97 54.63 2joz s GLU 49 Cb -0.14 -3.50 0.02 0.00 0.10 0.00 0.00 34.13 30.60 2joz s GLU 49 CO 0.02 0.10 0.86 0.08 0.02 0.00 0.00 175.26 176.34 2joz s VAL 50 N 0.92 4.59 -0.12 2.63 1.01 0.44 -0.51 120.40 129.35 2joz s VAL 50 Ca 0.11 0.75 0.00 0.00 0.00 0.00 0.00 61.98 62.85 2joz s VAL 50 Cb -0.13 -4.34 -0.02 0.00 0.00 0.00 0.00 36.38 31.89 2joz s VAL 50 CO 0.04 -0.68 -0.13 -0.04 0.00 0.00 0.00 175.10 174.29 2joz s MET 51 N 3.46 3.33 -0.06 2.72 -1.94 0.46 -0.75 119.30 126.52 2joz s MET 51 Ca 0.34 -0.68 -0.29 0.00 -1.71 0.00 0.00 55.69 53.35 2joz s MET 51 Cb -0.11 -2.62 -0.07 0.00 2.01 0.00 0.00 34.83 34.03 2joz s MET 51 CO 0.22 0.25 1.94 -2.00 -0.01 0.00 0.00 175.02 175.42 2joz s GLU 52 N 0.27 3.88 0.00 2.03 2.12 -0.78 -0.69 118.70 125.53 2joz s GLU 52 Ca -0.09 2.31 0.00 0.00 0.36 0.00 0.00 54.97 57.55 2joz s GLU 52 Cb -0.15 -4.17 0.00 0.00 0.26 0.00 0.00 34.13 30.06 2joz s GLU 52 CO 0.05 -1.24 0.00 0.41 -0.54 0.00 0.00 175.26 173.94 2joz n GLY 53 N 4.77 3.27 0.09 -1.50 0.00 -1.26 -4.83 105.19 105.73 2joz n GLY 53 Ca 0.22 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 2joz n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2joz n ARG 54 N -1.16 0.52 0.00 1.61 5.12 -0.32 -5.13 116.66 117.30 2joz n ARG 54 Ca 0.00 0.31 0.00 0.00 -1.93 0.00 0.00 57.85 56.23 2joz n ARG 54 Cb 0.00 -1.52 0.00 0.00 -1.16 0.00 0.00 32.46 29.78 2joz n ARG 54 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2joz n GLY 55 N 1.47 0.32 3.63 -0.13 0.00 0.14 -4.96 105.19 105.64 2joz n GLY 55 Ca -0.19 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.30 2joz n GLY 55 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2joz s GLU 56 N 0.00 4.02 -0.22 1.61 2.02 -1.26 -0.40 118.70 124.47 2joz s GLU 56 Ca 0.00 0.80 -0.07 0.00 0.02 0.00 0.00 54.97 55.72 2joz s GLU 56 Cb 0.00 -3.72 -0.03 0.00 0.10 0.00 0.00 34.13 30.48 2joz s GLU 56 CO 0.00 -0.73 0.06 0.08 0.02 0.00 0.00 175.26 174.69 2joz s VAL 57 N 3.17 4.45 -0.06 2.63 1.01 0.33 -4.85 120.40 127.08 2joz s VAL 57 Ca 0.37 -0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.92 2joz s VAL 57 Cb -0.14 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 2joz s VAL 57 CO 0.13 0.38 1.04 -1.10 0.00 0.00 0.00 175.10 175.55 2joz s GLN 58 N 1.14 4.45 0.56 2.72 -0.21 -1.26 -0.45 119.66 126.61 2joz s GLN 58 Ca 0.04 1.47 -0.10 0.00 0.02 0.00 0.00 55.36 56.79 2joz s GLN 58 Cb -0.14 -3.51 -0.04 0.00 1.00 0.00 0.00 33.01 30.31 2joz s GLN 58 CO 0.03 -0.27 0.95 -0.51 -2.12 0.00 0.00 175.29 173.37 2joz s LEU 59 N 1.74 3.39 0.35 2.90 1.43 0.07 -4.98 118.68 123.59 2joz s LEU 59 Ca 0.51 1.28 -0.26 0.00 -1.03 0.00 0.00 54.13 54.63 2joz s LEU 59 Cb -0.21 -4.29 -0.13 0.00 0.03 0.00 0.00 46.19 41.60 2joz s LEU 59 CO 0.22 -0.75 0.97 -2.65 0.23 0.00 0.00 176.35 174.37 2joz n PRO 60 N -2.47 1.30 -2.08 1.29 -0.02 -1.26 -4.59 135.00 127.17 2joz n PRO 60 Ca 0.04 0.46 -0.42 0.00 -2.02 0.00 0.00 63.50 61.56 2joz n PRO 60 Cb 0.54 -1.90 -0.03 0.00 -0.02 0.00 0.00 33.50 32.09 2joz n PRO 60 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2joz s PHE 61 N -1.18 2.99 -0.27 6.00 -0.71 -1.26 -4.80 117.98 118.75 2joz s PHE 61 Ca 0.61 0.74 -0.09 0.00 -1.04 0.00 0.00 56.93 57.15 2joz s PHE 61 Cb -0.63 -3.79 -0.03 0.00 -1.21 0.00 0.00 43.02 37.36 2joz s PHE 61 CO 0.59 -2.91 0.12 -1.64 -1.34 0.00 0.00 175.22 170.04 2joz s MET 62 N 1.60 3.72 0.17 1.99 -1.94 -0.50 -4.90 119.30 119.44 2joz s MET 62 Ca 0.67 -0.45 -0.30 0.00 -1.71 0.00 0.00 55.69 53.90 2joz s MET 62 Cb -0.38 -3.46 -0.07 0.00 2.01 0.00 0.00 34.83 32.92 2joz s MET 62 CO 0.30 -0.21 1.14 0.00 -0.01 0.00 0.00 175.02 176.24 2joz s ALA 63 N 1.66 3.39 0.06 3.03 0.00 -1.26 0.41 121.76 129.06 2joz s ALA 63 Ca 0.06 0.86 0.06 0.00 0.00 0.00 0.00 51.96 52.95 2joz s ALA 63 Cb -0.16 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 2joz s ALA 63 CO 0.06 -0.29 -0.18 1.52 0.00 0.00 0.00 175.76 176.87 2joz s TYR 64 N -0.02 1.52 0.23 0.00 1.13 -1.15 -0.56 117.35 118.51 2joz s TYR 64 Ca 0.52 -0.39 0.10 0.00 -1.41 0.00 0.00 57.07 55.88 2joz s TYR 64 Cb -0.30 -0.87 -0.05 0.00 -1.10 0.00 0.00 41.96 39.63 2joz s TYR 64 CO 0.35 0.10 -0.18 -1.59 -2.51 0.00 0.00 175.55 171.72 2joz s LYS 65 N -1.46 1.50 -0.25 -3.49 -2.85 0.14 -4.86 119.74 108.48 2joz s LYS 65 Ca 0.04 -1.65 -0.09 0.00 -1.00 0.00 0.00 55.97 53.26 2joz s LYS 65 Cb -0.09 -1.49 -0.04 0.00 -2.06 0.00 0.00 37.83 34.14 2joz s LYS 65 CO 0.02 0.28 0.13 0.08 0.10 0.00 0.00 175.35 175.96 2joz s VAL 66 N -2.57 4.98 -0.20 1.79 1.01 -1.26 -0.17 120.40 123.99 2joz s VAL 66 Ca 0.25 0.05 -0.19 0.00 0.00 0.00 0.00 61.98 62.09 2joz s VAL 66 Cb -0.04 -3.33 -0.20 0.00 0.00 0.00 0.00 36.38 32.81 2joz s VAL 66 CO 0.11 0.33 0.23 -0.38 0.00 0.00 0.00 175.10 175.38 2joz n ILE 67 N 4.63 1.58 -3.93 2.22 5.41 0.12 -4.95 119.36 124.44 2joz n ILE 67 Ca -0.15 -0.14 -0.09 0.00 1.00 0.00 0.00 62.75 63.37 2joz n ILE 67 Cb 0.52 -1.99 -0.09 0.00 -0.71 0.00 0.00 39.64 37.37 2joz n ILE 67 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2joz s SER 68 N -6.90 0.19 -0.14 4.38 0.01 -0.84 -4.89 113.70 105.51 2joz s SER 68 Ca -0.28 -0.59 -0.08 0.00 1.31 0.00 0.00 55.95 56.31 2joz s SER 68 Cb 0.06 0.25 0.05 0.00 0.21 0.00 0.00 66.02 66.59 2joz s SER 68 CO 0.62 -0.56 0.34 -1.58 0.41 0.00 0.00 173.24 172.47 2joz s GLN 69 N -2.95 0.32 -0.13 12.44 0.74 -1.25 -0.14 119.66 128.69 2joz s GLN 69 Ca -0.02 0.67 -0.33 0.00 0.05 0.00 0.00 55.36 55.73 2joz s GLN 69 Cb 0.01 -0.05 0.13 0.00 1.10 0.00 0.00 33.01 34.19 2joz s GLN 69 CO -0.06 -0.15 1.13 0.45 -0.55 0.00 0.00 175.29 176.11 2joz s SER 70 N 1.28 -0.19 -0.01 6.67 0.15 -0.66 -4.87 113.70 116.08 2joz s SER 70 Ca -0.09 -0.01 -0.02 0.00 0.70 0.00 0.00 55.95 56.53 2joz s SER 70 Cb -0.09 0.21 -0.27 0.00 -1.71 0.00 0.00 66.02 64.16 2joz s SER 70 CO -0.10 -0.34 0.82 0.00 1.20 0.00 0.00 173.24 174.82 2joz h THR 71 N 2.00 1.11 0.00 6.45 1.03 -1.99 -2.90 112.91 118.61 2joz h THR 71 Ca -0.13 -2.77 -0.38 0.00 -0.01 0.00 0.00 66.41 63.11 2joz h THR 71 Cb 1.19 2.72 -0.07 0.00 -1.07 0.00 0.00 68.15 70.92 2joz h THR 71 CO 0.25 0.80 -2.46 0.47 -0.01 0.00 0.00 175.52 174.58 2joz n ASP 72 N -3.43 1.97 0.00 0.00 9.92 -1.26 -4.24 116.55 119.51 2joz n ASP 72 Ca -0.17 -0.14 0.15 0.00 -0.53 0.00 0.00 54.79 54.10 2joz n ASP 72 Cb 1.04 -0.38 0.82 0.00 -0.64 0.00 0.00 41.12 41.97 2joz n ASP 72 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2joz n GLY 73 N 2.27 -1.12 0.95 0.44 0.00 -1.26 -5.01 105.19 101.45 2joz n GLY 73 Ca -0.45 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 45.52 2joz n GLY 73 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2joz n SER 74 N -1.15 -5.60 -4.64 1.61 2.88 -1.09 -4.73 113.62 100.90 2joz n SER 74 Ca 0.18 0.72 -0.35 0.00 -1.33 0.00 0.00 58.87 58.10 2joz n SER 74 Cb 0.17 -3.09 -0.10 0.00 -0.75 0.00 0.00 64.21 60.44 2joz n SER 74 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2joz s ILE 75 N -2.98 4.25 -0.10 2.46 1.01 0.75 -1.65 121.20 124.93 2joz s ILE 75 Ca 0.00 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.42 2joz s ILE 75 Cb 0.00 -2.81 0.01 0.00 0.01 0.00 0.00 42.46 39.67 2joz s ILE 75 CO 0.00 0.57 -0.20 -0.70 0.00 0.00 0.00 174.94 174.61 2joz s GLU 76 N -0.52 2.60 0.23 2.79 2.12 0.80 0.27 118.70 127.00 2joz s GLU 76 Ca 0.09 -0.72 0.10 0.00 0.36 0.00 0.00 54.97 54.80 2joz s GLU 76 Cb -0.12 -2.05 -0.05 0.00 0.26 0.00 0.00 34.13 32.17 2joz s GLU 76 CO 0.02 0.08 -0.19 0.96 -0.54 0.00 0.00 175.26 175.59 2joz s ILE 77 N 0.59 2.19 -0.02 -3.70 -4.36 0.20 0.13 121.20 116.23 2joz s ILE 77 Ca -0.14 -2.23 0.02 0.00 -0.26 0.00 0.00 60.65 58.04 2joz s ILE 77 Cb -0.17 -2.14 0.00 0.00 1.25 0.00 0.00 42.46 41.40 2joz s ILE 77 CO 0.05 -0.39 -0.08 -1.58 0.24 0.00 0.00 174.94 173.18 2joz s GLN 78 N -3.31 0.78 0.43 0.37 0.74 0.76 0.48 119.66 119.92 2joz s GLN 78 Ca 0.25 -0.27 -0.20 0.00 0.05 0.00 0.00 55.36 55.19 2joz s GLN 78 Cb -0.05 -0.75 -0.11 0.00 1.10 0.00 0.00 33.01 33.21 2joz s GLN 78 CO 0.11 0.11 0.94 0.71 -0.55 0.00 0.00 175.29 176.61 2joz s TYR 79 N 0.10 3.33 0.17 1.67 2.02 -0.34 0.26 117.35 124.56 2joz s TYR 79 Ca -0.01 1.57 0.01 0.00 -0.37 0.00 0.00 57.07 58.27 2joz s TYR 79 Cb -0.07 -2.82 0.01 0.00 -0.40 0.00 0.00 41.96 38.69 2joz s TYR 79 CO 0.00 -0.12 0.12 1.28 -1.57 0.00 0.00 175.55 175.26 2joz n LEU 80 N -0.71 0.00 0.00 -1.29 4.77 0.28 -3.35 117.00 116.70 2joz n LEU 80 Ca 0.07 -0.92 0.00 0.00 -0.03 0.00 0.00 56.01 55.13 2joz n LEU 80 Cb 0.54 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2joz n LEU 80 CO 0.38 -0.35 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 2joz n GLY 81 N 2.90 -0.18 0.24 -0.72 0.00 -1.26 -2.86 105.19 103.31 2joz n GLY 81 Ca -0.01 -1.02 0.16 0.00 0.00 0.00 0.00 46.02 45.15 2joz n GLY 81 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2joz h PRO 82 N 0.00 0.00 -0.69 1.61 0.11 -2.01 -1.62 132.00 129.41 2joz h PRO 82 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2joz h PRO 82 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2joz h PRO 82 CO 0.00 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.45 2joz n TYR 83 N -2.60 1.41 -0.47 0.65 4.01 -1.14 -4.97 117.16 114.05 2joz n TYR 83 Ca -0.02 -0.50 -0.29 0.00 -0.16 0.00 0.00 57.90 56.94 2joz n TYR 83 Cb 0.07 -0.36 0.26 0.00 -0.31 0.00 0.00 39.34 39.00 2joz n TYR 83 CO 0.00 0.00 0.00 2.48 -0.46 0.00 0.00 176.86 178.88 2joz n TYR 84 N 0.51 -1.50 0.00 -0.72 4.11 -0.61 -2.50 117.16 116.45 2joz n TYR 84 Ca 0.20 -0.18 0.00 0.00 -0.00 0.00 0.00 57.90 57.91 2joz n TYR 84 Cb 0.88 -1.65 0.00 0.00 -0.00 0.00 0.00 39.34 38.56 2joz n TYR 84 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.86 174.56 2joz n PRO 85 N -4.74 0.00 -1.98 -3.48 -0.02 -1.25 -4.87 135.00 118.66 2joz n PRO 85 Ca 0.02 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.07 2joz n PRO 85 Cb 0.55 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 34.00 2joz n PRO 85 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2joz s LEU 86 N 0.00 3.99 0.57 2.45 2.96 -1.04 -4.88 118.68 122.73 2joz s LEU 86 Ca 0.00 1.89 0.06 0.00 -0.22 0.00 0.00 54.13 55.86 2joz s LEU 86 Cb 0.00 -3.53 0.06 0.00 0.50 0.00 0.00 46.19 43.22 2joz s LEU 86 CO 0.00 -1.25 0.49 -1.59 -1.32 0.00 0.00 176.35 172.68 2joz s LYS 87 N 4.71 2.23 0.19 1.98 -2.85 -1.26 -1.20 119.74 123.53 2joz s LYS 87 Ca 0.77 -2.01 -0.14 0.00 -1.00 0.00 0.00 55.97 53.59 2joz s LYS 87 Cb -0.29 -2.17 0.01 0.00 -2.06 0.00 0.00 37.83 33.31 2joz s LYS 87 CO 0.31 -0.74 0.42 0.45 0.10 0.00 0.00 175.35 175.89 2joz s SER 88 N -4.39 -0.12 0.01 0.03 0.15 0.18 -4.66 113.70 104.90 2joz s SER 88 Ca 0.37 -0.68 0.06 0.00 0.70 0.00 0.00 55.95 56.40 2joz s SER 88 Cb -0.03 0.52 -0.02 0.00 -1.71 0.00 0.00 66.02 64.78 2joz s SER 88 CO 0.24 -0.99 -0.17 -0.89 1.20 0.00 0.00 173.24 172.62 2joz s THR 89 N -3.92 1.37 -0.13 6.45 2.01 0.26 -0.63 115.64 121.05 2joz s THR 89 Ca 0.13 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 61.25 2joz s THR 89 Cb 0.01 -1.17 0.02 0.00 0.01 0.00 0.00 72.50 71.36 2joz s THR 89 CO -0.01 0.26 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.26 2joz s LEU 90 N -0.75 1.76 0.12 4.42 1.43 0.14 0.10 118.68 125.91 2joz s LEU 90 Ca 0.06 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 52.71 2joz s LEU 90 Cb -0.07 -1.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.92 2joz s LEU 90 CO 0.00 -0.01 -0.09 -0.75 0.23 0.00 0.00 176.35 175.73 2joz s LYS 91 N 1.22 0.92 0.31 1.70 2.20 0.11 -0.18 119.74 126.03 2joz s LYS 91 Ca -0.01 -1.32 -0.09 0.00 -0.36 0.00 0.00 55.97 54.20 2joz s LYS 91 Cb -0.14 -0.47 -0.06 0.00 -1.51 0.00 0.00 37.83 35.65 2joz s LYS 91 CO -0.07 0.05 0.64 -0.98 -0.36 0.00 0.00 175.35 174.63 2joz s ARG 92 N -3.46 3.75 0.29 4.03 1.70 -1.26 0.73 118.95 124.73 2joz s ARG 92 Ca 0.12 0.28 0.08 0.00 -0.47 0.00 0.00 55.73 55.74 2joz s ARG 92 Cb 0.02 -2.55 -0.04 0.00 -0.57 0.00 0.00 34.95 31.81 2joz s ARG 92 CO -0.01 0.15 0.11 0.20 -1.08 0.00 0.00 175.30 174.67 2joz s GLY 93 N -2.89 1.71 0.01 3.88 0.00 1.00 -4.61 107.32 106.42 2joz s GLY 93 Ca 0.48 -1.66 0.26 0.00 0.00 0.00 0.00 44.72 43.80 2joz s GLY 93 CO 0.27 -1.67 1.57 1.18 0.00 0.00 0.00 173.10 174.45 2joz n GLU 94 N -1.07 0.02 -2.63 2.90 1.02 -1.26 -4.16 120.64 115.46 2joz n GLU 94 Ca -0.05 0.01 -0.18 0.00 -0.02 0.00 0.00 57.16 56.92 2joz n GLU 94 Cb 0.60 -1.52 0.01 0.00 -0.02 0.00 0.00 31.44 30.51 2joz n GLU 94 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2joz n ASN 95 N -1.55 2.95 -1.29 1.62 3.02 -1.26 -4.89 115.26 113.86 2joz n ASN 95 Ca 0.06 -3.21 -0.12 0.00 -0.03 0.00 0.00 54.58 51.28 2joz n ASN 95 Cb 0.34 -0.51 -0.02 0.00 -0.61 0.00 0.00 39.78 38.99 2joz n ASN 95 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2joz n GLY 96 N -0.23 0.20 3.76 7.41 0.00 -1.26 -5.01 105.19 110.06 2joz n GLY 96 Ca 0.24 -0.39 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 2joz n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2joz s THR 97 N -2.58 4.04 -0.04 2.61 -4.23 -1.26 -3.52 115.64 110.67 2joz s THR 97 Ca 0.00 -1.59 0.03 0.00 -1.18 0.00 0.00 61.69 58.95 2joz s THR 97 Cb 0.00 -3.19 0.00 0.00 1.34 0.00 0.00 72.50 70.65 2joz s THR 97 CO 0.00 -0.35 -0.14 -0.22 -0.54 0.00 0.00 174.62 173.37 2joz s LEU 98 N -3.78 1.83 -0.35 4.79 2.96 0.65 -0.00 118.68 124.78 2joz s LEU 98 Ca 0.33 -0.29 -0.10 0.00 -0.22 0.00 0.00 54.13 53.84 2joz s LEU 98 Cb -0.07 -0.81 0.02 0.00 0.50 0.00 0.00 46.19 45.83 2joz s LEU 98 CO 0.23 0.11 0.18 -0.63 -1.32 0.00 0.00 176.35 174.92 2joz s ILE 99 N 0.17 4.54 -0.36 6.68 1.01 0.22 -1.63 121.20 131.84 2joz s ILE 99 Ca -0.05 -0.74 -0.11 0.00 0.00 0.00 0.00 60.65 59.76 2joz s ILE 99 Cb -0.11 -3.47 0.02 0.00 0.01 0.00 0.00 42.46 38.91 2joz s ILE 99 CO 0.02 -0.14 0.20 0.86 0.00 0.00 0.00 174.94 175.88 2joz s TRP 100 N 1.56 3.23 -0.18 3.97 -0.00 0.11 0.08 118.94 127.71 2joz s TRP 100 Ca 0.03 -0.82 -0.09 0.00 -0.00 0.00 0.00 56.10 55.21 2joz s TRP 100 Cb -0.18 -2.42 -0.05 0.00 -0.00 0.00 0.00 33.47 30.81 2joz s TRP 100 CO 0.06 -0.59 0.12 -1.21 -0.00 0.00 0.00 176.95 175.33 2joz s GLU 101 N 1.58 4.03 -0.20 5.86 2.02 0.12 0.96 118.70 133.07 2joz s GLU 101 Ca 0.03 -0.23 -0.07 0.00 0.02 0.00 0.00 54.97 54.71 2joz s GLU 101 Cb -0.19 -3.34 0.09 0.00 0.10 0.00 0.00 34.13 30.79 2joz s GLU 101 CO 0.07 0.37 0.43 -1.14 0.02 0.00 0.00 175.26 175.01 2joz s GLN 102 N 0.15 0.35 0.00 1.61 -0.44 -0.95 -0.57 119.66 119.81 2joz s GLN 102 Ca 0.08 1.03 0.00 0.00 -2.50 0.00 0.00 55.36 53.97 2joz s GLN 102 Cb -0.11 0.32 0.00 0.00 -1.64 0.00 0.00 33.01 31.58 2joz s GLN 102 CO -0.01 -0.24 0.00 -1.71 0.50 0.00 0.00 175.29 173.83 2joz n ASN 103 N 5.26 0.00 0.00 6.67 2.85 -1.26 -2.81 115.26 125.97 2joz n ASN 103 Ca -0.10 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.37 2joz n ASN 103 Cb 0.50 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.52 2joz n ASN 103 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2joz n GLY 104 N 0.00 0.00 3.41 8.20 0.00 -1.26 -5.15 105.19 110.39 2joz n GLY 104 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2joz n GLY 104 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2joz s GLN 105 N -0.51 1.47 -0.20 1.61 -2.07 -1.12 -5.11 119.66 113.73 2joz s GLN 105 Ca 0.00 -1.46 -0.15 0.00 -1.82 0.00 0.00 55.36 51.93 2joz s GLN 105 Cb 0.00 -1.85 -0.04 0.00 -1.09 0.00 0.00 33.01 30.03 2joz s GLN 105 CO 0.00 0.41 0.34 -0.98 -1.32 0.00 0.00 175.29 173.74 2joz s ARG 106 N -2.46 4.18 -0.13 9.60 1.70 -1.26 -2.23 118.95 128.35 2joz s ARG 106 Ca 0.18 0.11 -0.22 0.00 -0.47 0.00 0.00 55.73 55.34 2joz s ARG 106 Cb -0.09 -3.51 -0.03 0.00 -0.57 0.00 0.00 34.95 30.75 2joz s ARG 106 CO 0.08 0.04 0.65 0.15 -1.08 0.00 0.00 175.30 175.13 2joz s LYS 107 N 1.09 4.33 -0.32 3.89 -0.14 0.27 -4.89 119.74 123.97 2joz s LYS 107 Ca 0.17 0.72 -0.07 0.00 -1.36 0.00 0.00 55.97 55.44 2joz s LYS 107 Cb -0.14 -3.50 0.03 0.00 -1.68 0.00 0.00 37.83 32.54 2joz s LYS 107 CO 0.07 -0.06 0.10 0.99 -0.76 0.00 0.00 175.35 175.69 2joz s THR 108 N 1.26 3.85 0.09 2.17 2.01 -1.26 0.07 115.64 123.82 2joz s THR 108 Ca 0.32 -0.98 0.02 0.00 0.31 0.00 0.00 61.69 61.37 2joz s THR 108 Cb -0.16 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.20 2joz s THR 108 CO 0.14 -0.09 -0.08 0.00 -0.69 0.00 0.00 174.62 173.89 2joz s MET 109 N 1.44 0.77 0.19 4.92 0.23 -0.65 -4.64 119.30 121.56 2joz s MET 109 Ca -0.00 -1.15 0.08 0.00 -1.03 0.00 0.00 55.69 53.59 2joz s MET 109 Cb -0.19 -0.33 -0.04 0.00 -1.53 0.00 0.00 34.83 32.75 2joz s MET 109 CO 0.03 0.03 -0.04 0.99 -2.03 0.00 0.00 175.02 174.00 2joz s THR 110 N -2.76 3.48 0.02 3.16 2.01 -0.83 -0.25 115.64 120.47 2joz s THR 110 Ca 0.05 -1.58 -0.30 0.00 0.31 0.00 0.00 61.69 60.16 2joz s THR 110 Cb -0.01 -2.75 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 2joz s THR 110 CO -0.02 -0.15 1.04 -0.60 -0.69 0.00 0.00 174.62 174.20 2joz s ARG 111 N -3.00 4.53 0.39 4.92 3.52 -1.23 -0.72 118.95 127.35 2joz s ARG 111 Ca 0.27 1.52 -0.24 0.00 -0.13 0.00 0.00 55.73 57.15 2joz s ARG 111 Cb -0.09 -3.42 -0.09 0.00 -1.56 0.00 0.00 34.95 29.79 2joz s ARG 111 CO 0.17 -0.10 1.01 0.42 -0.81 0.00 0.00 175.30 176.00 2joz s ILE 112 N 0.97 3.92 -0.06 4.11 1.01 -0.79 -4.89 121.20 125.46 2joz s ILE 112 Ca 0.54 1.46 -0.03 0.00 0.00 0.00 0.00 60.65 62.62 2joz s ILE 112 Cb -0.24 -3.75 0.04 0.00 0.01 0.00 0.00 42.46 38.53 2joz s ILE 112 CO 0.29 -0.00 0.09 -0.70 0.00 0.00 0.00 174.94 174.61 2joz s GLU 113 N -2.49 -0.04 -0.43 2.79 2.56 -1.26 -4.86 118.70 114.97 2joz s GLU 113 Ca 0.57 0.37 -0.29 0.00 0.00 0.00 0.00 54.97 55.62 2joz s GLU 113 Cb -0.19 -0.60 0.01 0.00 2.00 0.00 0.00 34.13 35.35 2joz s GLU 113 CO 0.25 -0.36 1.46 0.45 -0.56 0.00 0.00 175.26 176.50 2joz s SER 114 N 2.20 6.23 -0.30 -1.70 0.15 -1.26 -4.18 113.70 114.84 2joz s SER 114 Ca 0.04 0.79 -0.07 0.00 0.70 0.00 0.00 55.95 57.41 2joz s SER 114 Cb -0.12 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.66 2joz s SER 114 CO -0.04 -1.52 0.27 1.17 1.20 0.00 0.00 173.24 174.32 2joz n LYS 115 N 8.22 -2.24 -3.38 5.44 4.81 -1.26 -5.03 118.16 124.73 2joz n LYS 115 Ca 0.17 2.00 -0.31 0.00 -0.87 0.00 0.00 58.31 59.30 2joz n LYS 115 Cb 0.48 -4.64 -0.04 0.00 0.02 0.00 0.00 35.03 30.85 2joz n LYS 115 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 2joz s THR 116 N -1.85 4.98 0.00 3.15 2.01 -1.26 -5.09 115.64 117.58 2joz s THR 116 Ca 0.11 0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.41 2joz s THR 116 Cb -0.03 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.81 2joz s THR 116 CO 0.61 -0.18 0.00 0.61 -0.69 0.00 0.00 174.62 174.97 2joz n GLY 117 N -0.48 3.27 3.23 4.40 0.00 -1.26 -5.16 105.19 109.19 2joz n GLY 117 Ca -0.00 -0.61 -0.17 0.00 0.00 0.00 0.00 46.02 45.23 2joz n GLY 117 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2joz s ARG 118 N 4.38 1.00 -0.03 1.61 1.70 -1.26 -5.15 118.95 121.21 2joz s ARG 118 Ca 0.00 -1.25 -0.23 0.00 -0.47 0.00 0.00 55.73 53.78 2joz s ARG 118 Cb 0.00 -0.83 0.05 0.00 -0.57 0.00 0.00 34.95 33.59 2joz s ARG 118 CO 0.00 0.15 0.50 -2.00 -1.08 0.00 0.00 175.30 172.87 2joz s GLU 119 N -2.77 0.88 0.00 3.89 -6.30 -1.26 -5.10 118.70 108.04 2joz s GLU 119 Ca 0.09 0.01 0.00 0.00 -2.50 0.00 0.00 54.97 52.58 2joz s GLU 119 Cb -0.04 0.41 0.00 0.00 0.00 0.00 0.00 34.13 34.50 2joz s GLU 119 CO 0.02 -0.27 0.00 -1.91 0.02 0.00 0.00 175.26 173.13 2joz n GLU 120 N 1.02 0.00 -1.05 4.30 2.13 -1.26 -5.17 120.64 120.62 2joz n GLU 120 Ca -0.20 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.62 2joz n GLU 120 Cb 0.57 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.28 2joz n GLU 120 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2joz n LYS 121 N -0.78 -2.95 -2.62 5.31 4.81 -1.26 -5.02 118.16 115.64 2joz n LYS 121 Ca 0.00 2.14 -0.26 0.00 -0.87 0.00 0.00 58.31 59.32 2joz n LYS 121 Cb 0.00 -2.36 0.02 0.00 0.02 0.00 0.00 35.03 32.71 2joz n LYS 121 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 2joz s ASP 122 N -1.75 5.76 -0.33 3.14 -4.77 -1.26 -5.08 116.67 112.38 2joz s ASP 122 Ca 0.00 0.61 0.04 0.00 -3.30 0.00 0.00 52.55 49.89 2joz s ASP 122 Cb 0.00 -1.73 0.10 0.00 -1.09 0.00 0.00 42.92 40.20 2joz s ASP 122 CO 0.00 -0.88 0.04 -0.70 0.70 0.00 0.00 175.17 174.33 2joz s GLU 123 N -4.82 1.59 -0.59 2.11 2.12 -1.26 -5.06 118.70 112.80 2joz s GLU 123 Ca 0.51 -1.82 -0.21 0.00 0.36 0.00 0.00 54.97 53.82 2joz s GLU 123 Cb -0.10 -3.19 0.08 0.00 0.26 0.00 0.00 34.13 31.17 2joz s GLU 123 CO 0.43 -0.90 0.79 0.21 -0.54 0.00 0.00 175.26 175.24 2joz s LYS 124 N 0.93 3.11 0.06 4.30 2.36 -1.26 -5.00 119.74 124.24 2joz s LYS 124 Ca 0.09 -0.96 -0.03 0.00 -2.55 0.00 0.00 55.97 52.52 2joz s LYS 124 Cb -0.19 -4.19 -0.03 0.00 -1.05 0.00 0.00 37.83 32.36 2joz s LYS 124 CO -0.07 -1.55 0.02 -1.54 1.55 0.00 0.00 175.35 173.76 2joz s SER 125 N 3.34 0.40 -0.04 1.43 1.04 -1.26 -5.17 113.70 113.45 2joz s SER 125 Ca 0.18 -0.94 -0.09 0.00 0.48 0.00 0.00 55.95 55.57 2joz s SER 125 Cb -0.20 0.23 0.01 0.00 0.10 0.00 0.00 66.02 66.17 2joz s SER 125 CO 0.10 -0.63 0.22 -1.59 0.98 0.00 0.00 173.24 172.31 2joz s LYS 126 N -3.91 0.45 -0.22 4.02 -2.85 -1.26 -5.14 119.74 110.82 2joz s LYS 126 Ca 0.07 -0.08 -0.00 0.00 -1.00 0.00 0.00 55.97 54.97 2joz s LYS 126 Cb 0.07 0.20 0.06 0.00 -2.06 0.00 0.00 37.83 36.10 2joz s LYS 126 CO -0.10 -0.10 -0.04 -1.12 0.10 0.00 0.00 175.35 174.10 2joz s SER 127 N -0.81 3.64 -0.44 0.03 0.01 -1.26 -5.08 113.70 109.79 2joz s SER 127 Ca -0.09 -1.09 -0.01 0.00 1.31 0.00 0.00 55.95 56.06 2joz s SER 127 Cb -0.05 -1.06 0.12 0.00 0.21 0.00 0.00 66.02 65.24 2joz s SER 127 CO 0.02 -0.25 0.22 -0.76 0.41 0.00 0.00 173.24 172.88 2joz s LEU 128 N 1.49 5.13 -0.54 2.44 1.43 -1.26 -5.02 118.68 122.35 2joz s LEU 128 Ca -0.05 -2.24 -0.01 0.00 -1.03 0.00 0.00 54.13 50.80 2joz s LEU 128 Cb -0.18 -1.79 0.14 0.00 0.03 0.00 0.00 46.19 44.38 2joz s LEU 128 CO -0.07 -0.47 0.33 -0.70 0.23 0.00 0.00 176.35 175.67 2joz s GLU 129 N 0.84 2.27 -0.43 1.70 -6.30 -1.26 -5.03 118.70 110.49 2joz s GLU 129 Ca 0.11 -2.34 0.02 0.00 -2.50 0.00 0.00 54.97 50.25 2joz s GLU 129 Cb -0.22 -3.60 0.14 0.00 0.00 0.00 0.00 34.13 30.45 2joz s GLU 129 CO -0.04 -1.12 0.24 -1.58 0.02 0.00 0.00 175.26 172.77 2joz s HIS 130 N 0.24 1.76 0.04 5.30 2.46 -1.26 -5.09 115.29 118.74 2joz s HIS 130 Ca 0.14 -2.29 0.02 0.00 0.47 0.00 0.00 55.06 53.40 2joz s HIS 130 Cb -0.22 -1.71 -0.02 0.00 -0.13 0.00 0.00 32.58 30.50 2joz s HIS 130 CO -0.03 -0.79 -0.07 -1.01 -2.47 0.00 0.00 174.74 170.37 2joz s HIS 131 N 0.45 0.62 -0.04 3.88 3.76 -1.26 -5.16 115.29 117.54 2joz s HIS 131 Ca 0.18 -0.48 -0.27 0.00 -0.15 0.00 0.00 55.06 54.34 2joz s HIS 131 Cb -0.23 -0.38 0.06 0.00 1.11 0.00 0.00 32.58 33.14 2joz s HIS 131 CO -0.00 -0.09 0.59 -3.38 -0.85 0.00 0.00 174.74 171.01 2joz s HIS 132 N -1.30 -0.55 -0.27 1.40 -3.43 -1.26 -5.14 115.29 104.74 2joz s HIS 132 Ca -0.10 0.91 0.00 0.00 -0.80 0.00 0.00 55.06 55.08 2joz s HIS 132 Cb -0.09 0.34 0.16 0.00 -1.43 0.00 0.00 32.58 31.55 2joz s HIS 132 CO 0.00 -0.57 0.44 -3.38 -2.00 0.00 0.00 174.74 169.24 2joz s HIS 133 N -1.29 -1.10 -1.01 0.38 -3.43 -1.26 -5.10 115.29 102.48 2joz s HIS 133 Ca -0.11 0.78 -0.22 0.00 -0.80 0.00 0.00 55.06 54.71 2joz s HIS 133 Cb -0.01 0.05 0.07 0.00 -1.43 0.00 0.00 32.58 31.26 2joz s HIS 133 CO 0.08 -0.88 1.38 -1.58 -2.00 0.00 0.00 174.74 171.75 2joz s HIS 134 N 2.61 2.70 0.00 0.38 2.46 -1.26 -5.39 115.29 116.80 2joz s HIS 134 Ca 0.12 -1.03 0.00 0.00 0.47 0.00 0.00 55.06 54.63 2joz s HIS 134 Cb -0.14 -4.59 0.00 0.00 -0.13 0.00 0.00 32.58 27.72 2joz s HIS 134 CO -0.23 -1.82 0.00 1.58 -2.47 0.00 0.00 174.74 171.80