#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 4.43 -0.27 2.02 1.01 -1.26 -4.75 121.20 122.38 2joz s ILE 2 Ca 0.00 -1.09 -0.05 0.00 0.00 0.00 0.00 60.65 59.51 2joz s ILE 2 Cb 0.00 -3.57 0.01 0.00 0.01 0.00 0.00 42.46 38.90 2joz s ILE 2 CO 0.00 -0.35 0.19 0.23 0.00 0.00 0.00 174.94 175.01 2joz n MET 3 N 4.97 -2.30 -0.05 2.79 2.81 -1.26 -4.99 117.12 119.09 2joz n MET 3 Ca -0.11 2.03 0.01 0.00 -1.81 0.00 0.00 57.70 57.82 2joz n MET 3 Cb 0.45 -4.48 -0.16 0.00 -0.71 0.00 0.00 33.22 28.32 2joz n MET 3 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 2joz n VAL 4 N 0.16 0.67 -2.59 2.03 3.14 -1.26 -5.09 118.33 115.38 2joz n VAL 4 Ca 0.04 -0.67 0.09 0.00 -2.96 0.00 0.00 64.34 60.84 2joz n VAL 4 Cb 0.15 -0.23 -0.02 0.00 -1.06 0.00 0.00 33.84 32.67 2joz n VAL 4 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2joz n SER 5 N -2.50 -5.82 -4.81 6.55 7.64 -1.26 -4.78 113.62 108.64 2joz n SER 5 Ca -0.17 0.72 -0.39 0.00 1.01 0.00 0.00 58.87 60.04 2joz n SER 5 Cb 0.85 -2.02 -0.06 0.00 -1.01 0.00 0.00 64.21 61.97 2joz n SER 5 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2joz s GLY 6 N -5.52 2.66 -0.05 0.23 0.00 -1.26 -4.96 107.32 98.42 2joz s GLY 6 Ca 0.00 0.02 0.10 0.00 0.00 0.00 0.00 44.72 44.84 2joz s GLY 6 CO 0.00 0.44 1.24 0.00 0.00 0.00 0.00 173.10 174.79 2joz n GLN 8 N 0.53 -1.93 -1.11 0.00 3.00 -1.26 -4.87 117.38 111.74 2joz n GLN 8 Ca 0.14 1.47 -0.04 0.00 -0.01 0.00 0.00 57.00 58.56 2joz n GLN 8 Cb 0.50 -2.29 -0.02 0.00 0.00 0.00 0.00 30.24 28.43 2joz n GLN 8 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2joz n GLN 9 N -3.57 -1.24 -4.29 -1.09 6.02 -1.26 -4.96 117.38 106.99 2joz n GLN 9 Ca -0.03 0.52 -0.35 0.00 -0.01 0.00 0.00 57.00 57.13 2joz n GLN 9 Cb 0.41 -4.55 -0.10 0.00 1.02 0.00 0.00 30.24 27.03 2joz n GLN 9 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2joz s GLN 10 N -1.85 3.26 -1.45 -1.09 0.74 -1.26 -5.01 119.66 113.01 2joz s GLN 10 Ca 0.00 -0.39 -0.13 0.00 0.05 0.00 0.00 55.36 54.89 2joz s GLN 10 Cb 0.00 -2.90 0.05 0.00 1.10 0.00 0.00 33.01 31.26 2joz s GLN 10 CO 0.00 0.58 2.25 1.17 -0.55 0.00 0.00 175.29 178.74 2joz n LYS 11 N 2.54 3.05 0.00 1.67 3.00 -1.26 -4.76 118.16 122.39 2joz n LYS 11 Ca -0.18 -2.70 0.00 0.00 -0.00 0.00 0.00 58.31 55.42 2joz n LYS 11 Cb 0.53 -3.19 0.00 0.00 0.00 0.00 0.00 35.03 32.37 2joz n LYS 11 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2joz n GLU 12 N 5.52 0.00 -3.91 1.64 2.13 -1.26 -5.13 120.64 119.62 2joz n GLU 12 Ca 0.53 0.00 0.01 0.00 0.66 0.00 0.00 57.16 58.35 2joz n GLU 12 Cb 0.37 -0.05 0.01 0.00 0.27 0.00 0.00 31.44 32.04 2joz n GLU 12 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2joz s GLU 13 N 0.00 0.71 0.13 5.31 -6.30 -1.26 -5.16 118.70 112.12 2joz s GLU 13 Ca 0.00 -0.45 0.00 0.00 -2.50 0.00 0.00 54.97 52.02 2joz s GLU 13 Cb 0.00 0.20 0.00 0.00 0.00 0.00 0.00 34.13 34.33 2joz s GLU 13 CO 0.00 -0.33 0.00 2.41 0.02 0.00 0.00 175.26 177.36 2joz n THR 14 N -0.79 -2.83 -1.67 -1.70 -1.04 -1.26 -4.88 114.28 100.11 2joz n THR 14 Ca 0.00 0.91 -0.43 0.00 -2.04 0.00 0.00 64.05 62.49 2joz n THR 14 Cb 0.59 -1.92 -0.03 0.00 -1.82 0.00 0.00 70.33 67.15 2joz n THR 14 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2joz n PRO 15 N -0.10 2.72 0.26 -2.82 -0.04 -1.26 -4.89 135.00 128.86 2joz n PRO 15 Ca 0.00 0.99 0.11 0.00 -0.04 0.00 0.00 63.50 64.56 2joz n PRO 15 Cb 0.00 -2.91 0.69 0.00 -0.04 0.00 0.00 33.50 31.25 2joz n PRO 15 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2joz h PHE 16 N 9.50 0.00 0.00 0.54 -0.00 -1.92 -2.45 116.94 122.61 2joz h PHE 16 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.49 2joz h PHE 16 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.19 2joz h PHE 16 CO 0.87 0.11 -0.67 2.48 -0.00 0.00 0.00 178.31 181.11 2joz n TYR 17 N -3.93 0.03 -2.30 6.09 4.11 -1.26 -4.91 117.16 115.00 2joz n TYR 17 Ca -0.02 0.01 -0.42 0.00 -0.00 0.00 0.00 57.90 57.47 2joz n TYR 17 Cb 0.20 -0.21 -0.03 0.00 -0.00 0.00 0.00 39.34 39.30 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 -3.02 3.34 -2.88 -3.48 5.04 -0.93 -4.64 117.35 110.79 2joz s TYR 18 Ca 0.10 1.22 0.00 0.00 -2.44 0.00 0.00 57.07 55.94 2joz s TYR 18 Cb 0.17 -3.53 0.00 0.00 0.35 0.00 0.00 41.96 38.94 2joz s TYR 18 CO 0.75 -1.70 0.00 0.41 -1.34 0.00 0.00 175.55 173.67 2joz n GLY 19 N 2.87 0.74 3.39 8.97 0.00 -1.14 -4.99 105.19 115.02 2joz n GLY 19 Ca 0.08 -2.07 -0.34 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.46 3.32 0.14 2.61 2.01 -1.26 -0.59 115.64 120.41 2joz s THR 20 Ca 0.00 -0.55 0.10 0.00 0.31 0.00 0.00 61.69 61.55 2joz s THR 20 Cb 0.00 -2.44 -0.04 0.00 0.01 0.00 0.00 72.50 70.03 2joz s THR 20 CO 0.00 0.50 -0.20 0.26 -0.69 0.00 0.00 174.62 174.49 2joz s TRP 21 N 0.60 2.46 -0.08 4.92 0.52 0.89 -1.82 118.94 126.43 2joz s TRP 21 Ca -0.05 -0.30 -0.20 0.00 0.02 0.00 0.00 56.10 55.56 2joz s TRP 21 Cb -0.15 -1.28 -0.04 0.00 -1.15 0.00 0.00 33.47 30.85 2joz s TRP 21 CO 0.03 0.42 0.57 0.34 0.02 0.00 0.00 176.95 178.33 2joz s ASP 22 N -2.32 6.84 0.14 2.95 -1.08 -1.17 -0.46 116.67 121.55 2joz s ASP 22 Ca 0.19 1.00 -0.24 0.00 -0.52 0.00 0.00 52.55 52.98 2joz s ASP 22 Cb -0.10 -2.34 -0.01 0.00 -1.46 0.00 0.00 42.92 39.01 2joz s ASP 22 CO 0.10 -0.02 1.63 -0.33 0.52 0.00 0.00 175.17 177.07 2joz h GLU 23 N 6.54 -0.30 -4.55 4.34 4.39 -1.84 -3.39 114.58 119.76 2joz h GLU 23 Ca -0.42 0.02 -0.41 0.00 0.34 0.00 0.00 59.36 58.90 2joz h GLU 23 Cb 1.19 0.07 0.05 0.00 -0.10 0.00 0.00 28.75 29.96 2joz h GLU 23 CO 0.74 -0.20 -0.61 0.41 -1.16 0.00 0.00 179.01 178.20 2joz n GLY 24 N -1.37 -0.52 3.91 -3.84 0.00 -1.26 -4.77 105.19 97.34 2joz n GLY 24 Ca -0.03 0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 2joz n GLY 24 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2joz s ARG 25 N -5.73 3.46 -0.71 1.61 6.06 -1.26 -4.95 118.95 117.43 2joz s ARG 25 Ca 0.31 -0.37 0.05 0.00 -2.50 0.00 0.00 55.73 53.22 2joz s ARG 25 Cb -0.14 -3.03 0.18 0.00 0.06 0.00 0.00 34.95 32.02 2joz s ARG 25 CO 0.38 0.60 0.54 0.00 -2.50 0.00 0.00 175.30 174.32 2joz n ALA 26 N 0.38 3.51 -2.41 6.12 0.00 -1.26 -4.99 120.51 121.85 2joz n ALA 26 Ca -0.06 -4.56 0.00 0.00 0.00 0.00 0.00 53.44 48.82 2joz n ALA 26 Cb 0.51 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.92 2joz n ALA 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2joz n PRO 27 N 1.85 2.15 -2.71 0.00 -0.04 -1.26 -5.14 135.00 129.86 2joz n PRO 27 Ca 0.21 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.46 2joz n PRO 27 Cb 0.36 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 33.88 2joz n PRO 27 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2joz s GLY 28 N -1.42 1.80 0.12 0.55 0.00 -1.26 -4.97 107.32 102.14 2joz s GLY 28 Ca 0.00 -1.61 -0.30 0.00 0.00 0.00 0.00 44.72 42.81 2joz s GLY 28 CO 0.00 -1.21 1.18 2.56 0.00 0.00 0.00 173.10 175.62 2joz s PRO 29 N -4.84 4.48 0.00 2.90 0.04 -1.26 -4.86 135.00 131.46 2joz s PRO 29 Ca 0.61 1.79 0.14 0.00 0.04 0.00 0.00 61.00 63.58 2joz s PRO 29 Cb -0.08 -3.30 0.59 0.00 0.04 0.00 0.00 34.50 31.74 2joz s PRO 29 CO 0.40 -0.14 1.42 0.25 0.04 0.00 0.00 177.00 178.96 2joz n THR 30 N 3.24 0.20 -2.20 1.26 -2.24 -1.26 -3.37 114.28 109.92 2joz n THR 30 Ca 0.06 -0.25 -0.03 0.00 -2.27 0.00 0.00 64.05 61.57 2joz n THR 30 Cb 0.46 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 2joz n THR 30 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2joz n ASP 31 N 0.01 -5.25 0.00 3.42 2.03 -1.26 -3.69 116.55 111.81 2joz n ASP 31 Ca 0.12 0.49 0.00 0.00 0.52 0.00 0.00 54.79 55.92 2joz n ASP 31 Cb 0.21 -3.37 0.00 0.00 -0.72 0.00 0.00 41.12 37.24 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 -0.08 3.32 3.85 0.27 0.00 -1.26 -4.97 105.19 106.32 2joz n GLY 32 Ca 0.04 -0.78 -0.37 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.10 5.41 -0.12 1.61 1.01 -1.26 -4.00 120.40 122.94 2joz s VAL 33 Ca 0.00 0.34 -0.04 0.00 0.00 0.00 0.00 61.98 62.28 2joz s VAL 33 Cb 0.00 -3.47 -0.25 0.00 0.00 0.00 0.00 36.38 32.66 2joz s VAL 33 CO 0.00 0.58 0.35 0.29 0.00 0.00 0.00 175.10 176.32 2joz n LYS 34 N 2.18 0.74 -3.77 2.72 5.02 -0.52 -4.26 118.16 120.28 2joz n LYS 34 Ca -0.18 0.25 -0.03 0.00 -2.02 0.00 0.00 58.31 56.33 2joz n LYS 34 Cb 0.54 -1.70 -0.01 0.00 -0.02 0.00 0.00 35.03 33.84 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 -6.89 -0.13 0.17 4.39 0.01 -1.26 -5.00 113.70 105.00 2joz s SER 35 Ca -0.21 -0.44 0.01 0.00 1.31 0.00 0.00 55.95 56.62 2joz s SER 35 Cb 0.07 0.46 -0.05 0.00 0.21 0.00 0.00 66.02 66.72 2joz s SER 35 CO 0.76 -0.87 0.01 0.00 0.41 0.00 0.00 173.24 173.55 2joz s ALA 36 N -2.97 1.28 0.16 1.44 0.00 -1.26 -0.51 121.76 119.90 2joz s ALA 36 Ca 0.14 -1.57 0.07 0.00 0.00 0.00 0.00 51.96 50.60 2joz s ALA 36 Cb -0.01 0.59 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 2joz s ALA 36 CO 0.02 -0.34 -0.14 0.95 0.00 0.00 0.00 175.76 176.25 2joz s THR 37 N -3.71 1.53 -0.13 0.00 -4.23 0.80 -2.59 115.64 107.31 2joz s THR 37 Ca 0.24 -1.96 0.02 0.00 -1.18 0.00 0.00 61.69 58.81 2joz s THR 37 Cb 0.06 -1.80 0.01 0.00 1.34 0.00 0.00 72.50 72.11 2joz s THR 37 CO 0.04 -0.50 -0.21 0.54 -0.54 0.00 0.00 174.62 173.95 2joz s VAL 38 N -2.55 1.93 -0.22 2.29 0.11 0.39 -1.27 120.40 121.08 2joz s VAL 38 Ca 0.16 -0.91 -0.06 0.00 -2.93 0.00 0.00 61.98 58.24 2joz s VAL 38 Cb -0.03 -1.71 -0.02 0.00 -1.53 0.00 0.00 36.38 33.09 2joz s VAL 38 CO 0.05 0.53 0.02 -0.89 -3.33 0.00 0.00 175.10 171.47 2joz s THR 39 N 0.80 3.97 -0.30 5.04 2.01 0.41 -0.08 115.64 127.49 2joz s THR 39 Ca -0.08 -0.30 -0.11 0.00 0.31 0.00 0.00 61.69 61.51 2joz s THR 39 Cb -0.16 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.51 2joz s THR 39 CO -0.01 0.40 0.19 -0.36 -0.69 0.00 0.00 174.62 174.16 2joz s PHE 40 N 1.27 3.21 0.53 4.92 0.08 0.24 -0.89 117.98 127.34 2joz s PHE 40 Ca 0.04 -0.15 0.09 0.00 0.12 0.00 0.00 56.93 57.03 2joz s PHE 40 Cb -0.15 -2.40 0.06 0.00 -0.57 0.00 0.00 43.02 39.96 2joz s PHE 40 CO 0.01 -0.29 0.68 0.99 -0.10 0.00 0.00 175.22 176.51 2joz s THR 41 N 1.71 2.29 0.23 0.64 2.01 -0.06 -2.87 115.64 119.59 2joz s THR 41 Ca 0.06 -1.08 -0.07 0.00 0.31 0.00 0.00 61.69 60.92 2joz s THR 41 Cb -0.17 -2.37 0.18 0.00 0.01 0.00 0.00 72.50 70.16 2joz s THR 41 CO 0.10 0.00 1.82 -0.33 -0.69 0.00 0.00 174.62 175.51 2joz h GLU 42 N 0.39 1.19 0.00 4.92 5.08 -2.01 -3.32 114.58 120.83 2joz h GLU 42 Ca -0.33 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 2joz h GLU 42 Cb 1.29 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2joz h GLU 42 CO 0.45 0.92 0.00 -0.25 -1.00 0.00 0.00 179.01 179.13 2joz n ASP 43 N -4.30 0.38 -4.08 1.42 8.00 -1.26 -5.06 116.55 111.64 2joz n ASP 43 Ca 0.08 -0.76 -0.08 0.00 0.71 0.00 0.00 54.79 54.74 2joz n ASP 43 Cb 0.15 0.19 -0.10 0.00 -0.02 0.00 0.00 41.12 41.34 2joz n ASP 43 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 2joz s GLU 44 N -0.19 0.59 -0.11 -1.24 1.03 -1.25 -2.49 118.70 115.04 2joz s GLU 44 Ca 0.00 -1.10 -0.00 0.00 0.03 0.00 0.00 54.97 53.90 2joz s GLU 44 Cb 0.00 0.08 -0.02 0.00 -0.80 0.00 0.00 34.13 33.39 2joz s GLU 44 CO 0.00 -0.07 -0.10 0.08 -1.33 0.00 0.00 175.26 173.84 2joz s VAL 45 N -3.25 3.40 -0.13 1.83 1.01 0.11 -0.88 120.40 122.49 2joz s VAL 45 Ca 0.03 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.47 2joz s VAL 45 Cb 0.03 -2.42 0.01 0.00 0.00 0.00 0.00 36.38 34.00 2joz s VAL 45 CO -0.07 0.54 -0.18 -0.69 0.00 0.00 0.00 175.10 174.70 2joz s VAL 46 N -0.01 1.76 -0.12 2.92 1.01 -0.07 -2.63 120.40 123.27 2joz s VAL 46 Ca -0.02 -0.79 -0.09 0.00 0.00 0.00 0.00 61.98 61.08 2joz s VAL 46 Cb -0.14 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 2joz s VAL 46 CO 0.03 0.49 0.19 -1.61 0.00 0.00 0.00 175.10 174.20 2joz s GLU 47 N 0.99 3.70 -0.18 2.72 2.02 -1.26 -0.44 118.70 126.25 2joz s GLU 47 Ca -0.05 -0.05 0.01 0.00 0.02 0.00 0.00 54.97 54.90 2joz s GLU 47 Cb -0.15 -3.25 0.02 0.00 0.10 0.00 0.00 34.13 30.85 2joz s GLU 47 CO -0.03 0.64 -0.20 0.95 0.02 0.00 0.00 175.26 176.63 2joz s THR 48 N -0.67 2.05 -0.18 3.63 -4.23 -0.40 -1.19 115.64 114.65 2joz s THR 48 Ca 0.15 -0.94 -0.10 0.00 -1.18 0.00 0.00 61.69 59.63 2joz s THR 48 Cb -0.13 -1.85 -0.05 0.00 1.34 0.00 0.00 72.50 71.82 2joz s THR 48 CO 0.04 0.54 0.14 -1.61 -0.54 0.00 0.00 174.62 173.19 2joz s GLU 49 N 1.27 4.05 -0.38 3.99 2.02 -0.06 -0.14 118.70 129.45 2joz s GLU 49 Ca 0.04 -0.19 -0.22 0.00 0.02 0.00 0.00 54.97 54.62 2joz s GLU 49 Cb -0.13 -3.38 0.01 0.00 0.10 0.00 0.00 34.13 30.73 2joz s GLU 49 CO -0.12 0.39 0.70 0.08 0.02 0.00 0.00 175.26 176.33 2joz s VAL 50 N 0.10 4.80 -0.08 2.63 1.01 0.34 0.15 120.40 129.36 2joz s VAL 50 Ca 0.10 0.62 0.03 0.00 0.00 0.00 0.00 61.98 62.73 2joz s VAL 50 Cb -0.11 -4.16 -0.02 0.00 0.00 0.00 0.00 36.38 32.09 2joz s VAL 50 CO -0.01 -0.43 -0.18 -0.04 0.00 0.00 0.00 175.10 174.45 2joz s MET 51 N 2.92 2.77 0.08 2.72 -1.94 0.60 -1.43 119.30 125.01 2joz s MET 51 Ca 0.27 -0.76 -0.31 0.00 -1.71 0.00 0.00 55.69 53.18 2joz s MET 51 Cb -0.14 -2.38 -0.07 0.00 2.01 0.00 0.00 34.83 34.26 2joz s MET 51 CO 0.17 0.42 1.35 -2.00 -0.01 0.00 0.00 175.02 174.95 2joz s GLU 52 N -0.23 4.34 0.00 2.03 2.12 -1.26 -0.57 118.70 125.13 2joz s GLU 52 Ca -0.00 1.98 0.00 0.00 0.36 0.00 0.00 54.97 57.31 2joz s GLU 52 Cb -0.13 -3.34 0.00 0.00 0.26 0.00 0.00 34.13 30.91 2joz s GLU 52 CO 0.03 -0.43 0.00 0.41 -0.54 0.00 0.00 175.26 174.74 2joz n GLY 53 N 3.46 2.85 0.06 -1.50 0.00 -1.26 -4.75 105.19 104.05 2joz n GLY 53 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.54 0.35 0.00 1.61 5.12 -1.05 -5.13 116.66 117.02 2joz n ARG 54 Ca 0.00 0.36 0.00 0.00 -1.93 0.00 0.00 57.85 56.28 2joz n ARG 54 Cb 0.00 -1.36 0.00 0.00 -1.16 0.00 0.00 32.46 29.94 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 1.60 0.58 3.71 -0.13 0.00 0.26 -5.00 105.19 106.21 2joz n GLY 55 Ca -0.07 -2.03 -0.39 0.00 0.00 0.00 0.00 46.02 43.53 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 -0.71 4.39 -0.24 1.61 2.02 -1.26 -0.29 118.70 124.22 2joz s GLU 56 Ca 0.00 0.78 -0.08 0.00 0.02 0.00 0.00 54.97 55.69 2joz s GLU 56 Cb 0.00 -3.46 -0.04 0.00 0.10 0.00 0.00 34.13 30.73 2joz s GLU 56 CO 0.00 0.04 0.09 0.08 0.02 0.00 0.00 175.26 175.49 2joz s VAL 57 N 0.93 4.62 -0.11 2.63 1.01 0.12 -4.83 120.40 124.77 2joz s VAL 57 Ca 0.35 -0.07 -0.18 0.00 0.00 0.00 0.00 61.98 62.07 2joz s VAL 57 Cb -0.17 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 2joz s VAL 57 CO 0.16 0.35 0.48 -1.10 0.00 0.00 0.00 175.10 174.99 2joz s GLN 58 N 1.32 4.33 0.42 2.72 -0.21 -1.26 -0.88 119.66 126.09 2joz s GLN 58 Ca 0.05 0.45 -0.11 0.00 0.02 0.00 0.00 55.36 55.77 2joz s GLN 58 Cb -0.15 -3.43 -0.07 0.00 1.00 0.00 0.00 33.01 30.37 2joz s GLN 58 CO 0.04 0.18 0.80 -0.51 -2.12 0.00 0.00 175.29 173.68 2joz s LEU 59 N 0.56 3.80 0.38 2.90 1.43 -0.33 -4.96 118.68 122.46 2joz s LEU 59 Ca 0.26 1.20 -0.25 0.00 -1.03 0.00 0.00 54.13 54.31 2joz s LEU 59 Cb -0.15 -4.08 -0.12 0.00 0.03 0.00 0.00 46.19 41.86 2joz s LEU 59 CO 0.10 -0.42 0.89 -2.65 0.23 0.00 0.00 176.35 174.50 2joz n PRO 60 N -1.33 1.13 -1.65 1.29 -0.02 -1.26 -4.57 135.00 128.59 2joz n PRO 60 Ca 0.03 0.41 -0.42 0.00 -2.02 0.00 0.00 63.50 61.49 2joz n PRO 60 Cb 0.54 -1.84 -0.03 0.00 -0.02 0.00 0.00 33.50 32.15 2joz n PRO 60 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2joz n PHE 61 N -0.38 2.46 -3.96 6.00 3.72 -1.26 -4.86 117.46 119.18 2joz n PHE 61 Ca 0.10 -0.36 -0.35 0.00 -0.05 0.00 0.00 57.45 56.79 2joz n PHE 61 Cb 0.37 -2.80 -0.13 0.00 -0.94 0.00 0.00 39.48 35.98 2joz n PHE 61 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 2joz s MET 62 N 4.66 3.51 0.47 -1.08 -1.94 -1.08 -4.94 119.30 118.90 2joz s MET 62 Ca 0.90 -0.56 -0.21 0.00 -1.71 0.00 0.00 55.69 54.11 2joz s MET 62 Cb -0.43 -3.08 -0.09 0.00 2.01 0.00 0.00 34.83 33.25 2joz s MET 62 CO 0.42 -0.12 1.04 0.00 -0.01 0.00 0.00 175.02 176.35 2joz s ALA 63 N 1.32 2.90 0.15 3.03 0.00 -1.26 0.07 121.76 127.97 2joz s ALA 63 Ca 0.04 0.63 0.05 0.00 0.00 0.00 0.00 51.96 52.67 2joz s ALA 63 Cb -0.15 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 2joz s ALA 63 CO -0.00 -0.30 -0.11 1.52 0.00 0.00 0.00 175.76 176.87 2joz s TYR 64 N -1.92 1.30 0.04 0.00 -0.85 -1.04 -0.97 117.35 113.90 2joz s TYR 64 Ca 0.66 -0.74 0.09 0.00 -0.52 0.00 0.00 57.07 56.55 2joz s TYR 64 Cb -0.17 -0.65 -0.03 0.00 0.38 0.00 0.00 41.96 41.49 2joz s TYR 64 CO 0.21 0.10 -0.24 -1.59 -1.52 0.00 0.00 175.55 172.51 2joz s LYS 65 N -3.72 1.66 -0.34 -3.49 -2.85 0.54 -4.88 119.74 106.67 2joz s LYS 65 Ca 0.17 -1.04 -0.18 0.00 -1.00 0.00 0.00 55.97 53.92 2joz s LYS 65 Cb 0.02 -1.81 -0.01 0.00 -2.06 0.00 0.00 37.83 33.98 2joz s LYS 65 CO 0.01 0.47 0.50 0.08 0.10 0.00 0.00 175.35 176.51 2joz s VAL 66 N -0.79 5.03 -0.22 1.79 1.01 -1.26 -1.06 120.40 124.89 2joz s VAL 66 Ca 0.10 0.37 -0.18 0.00 0.00 0.00 0.00 61.98 62.27 2joz s VAL 66 Cb -0.10 -3.94 -0.14 0.00 0.00 0.00 0.00 36.38 32.20 2joz s VAL 66 CO 0.02 -0.18 -0.04 -0.38 0.00 0.00 0.00 175.10 174.51 2joz n ILE 67 N 5.39 1.52 -4.33 2.22 5.41 0.12 -4.99 119.36 124.70 2joz n ILE 67 Ca -0.05 -0.09 -0.22 0.00 1.00 0.00 0.00 62.75 63.38 2joz n ILE 67 Cb 0.49 -2.06 -0.11 0.00 -0.71 0.00 0.00 39.64 37.25 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 -6.86 2.68 -0.04 4.38 0.01 -0.91 -4.95 113.70 108.03 2joz s SER 68 Ca -0.30 -0.84 -0.14 0.00 1.31 0.00 0.00 55.95 55.98 2joz s SER 68 Cb 0.08 -0.16 0.02 0.00 0.21 0.00 0.00 66.02 66.18 2joz s SER 68 CO 0.51 -0.02 0.30 -1.58 0.41 0.00 0.00 173.24 172.86 2joz s GLN 69 N -2.70 0.59 -0.05 12.44 0.74 -1.26 -0.54 119.66 128.89 2joz s GLN 69 Ca 0.15 -0.06 -0.13 0.00 0.05 0.00 0.00 55.36 55.37 2joz s GLN 69 Cb -0.06 0.27 0.02 0.00 1.10 0.00 0.00 33.01 34.34 2joz s GLN 69 CO 0.06 -0.15 0.29 0.45 -0.55 0.00 0.00 175.29 175.40 2joz s SER 70 N -0.99 -0.22 0.40 6.67 0.15 -0.67 -4.87 113.70 114.16 2joz s SER 70 Ca -0.11 0.26 0.22 0.00 0.70 0.00 0.00 55.95 57.02 2joz s SER 70 Cb -0.05 0.42 0.71 0.00 -1.71 0.00 0.00 66.02 65.40 2joz s SER 70 CO 0.03 -0.31 1.74 0.71 1.20 0.00 0.00 173.24 176.61 2joz h THR 71 N 4.20 0.62 -0.80 6.45 1.35 -2.02 -3.40 112.91 119.31 2joz h THR 71 Ca -0.28 -1.36 -0.15 0.00 -0.55 0.00 0.00 66.41 64.07 2joz h THR 71 Cb 1.18 1.91 -0.16 0.00 -1.73 0.00 0.00 68.15 69.36 2joz h THR 71 CO 0.37 0.28 -0.46 -0.67 -0.25 0.00 0.00 175.52 174.78 2joz n ASP 72 N -3.36 -3.24 0.00 5.36 2.03 -1.26 -4.94 116.55 111.14 2joz n ASP 72 Ca 0.01 -2.82 0.00 0.00 0.52 0.00 0.00 54.79 52.49 2joz n ASP 72 Cb 0.50 1.69 0.00 0.00 -0.72 0.00 0.00 41.12 42.59 2joz n ASP 72 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2joz n GLY 73 N 2.73 -1.99 3.12 0.27 0.00 -1.26 -5.01 105.19 103.05 2joz n GLY 73 Ca 0.16 0.69 -0.12 0.00 0.00 0.00 0.00 46.02 46.76 2joz n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2joz s SER 74 N 2.00 -0.03 -0.05 1.61 0.01 -1.26 -1.41 113.70 114.58 2joz s SER 74 Ca 0.00 -0.11 0.03 0.00 1.31 0.00 0.00 55.95 57.18 2joz s SER 74 Cb 0.00 0.24 0.01 0.00 0.21 0.00 0.00 66.02 66.48 2joz s SER 74 CO 0.00 -0.35 -0.12 -0.63 0.41 0.00 0.00 173.24 172.55 2joz s ILE 75 N -1.22 1.09 -0.17 1.44 1.01 0.22 -1.68 121.20 121.88 2joz s ILE 75 Ca -0.13 -0.48 -0.01 0.00 0.00 0.00 0.00 60.65 60.03 2joz s ILE 75 Cb -0.07 -0.98 -0.00 0.00 0.01 0.00 0.00 42.46 41.42 2joz s ILE 75 CO 0.02 0.34 -0.12 -0.70 0.00 0.00 0.00 174.94 174.48 2joz s GLU 76 N 0.44 3.29 0.05 2.79 2.12 0.29 -0.53 118.70 127.16 2joz s GLU 76 Ca -0.10 -0.70 0.03 0.00 0.36 0.00 0.00 54.97 54.57 2joz s GLU 76 Cb -0.13 -2.75 -0.02 0.00 0.26 0.00 0.00 34.13 31.49 2joz s GLU 76 CO 0.03 -0.03 -0.10 0.96 -0.54 0.00 0.00 175.26 175.57 2joz s ILE 77 N 0.97 0.77 -0.04 -3.70 -4.36 -0.92 0.12 121.20 114.05 2joz s ILE 77 Ca -0.02 -1.11 0.05 0.00 -0.26 0.00 0.00 60.65 59.31 2joz s ILE 77 Cb -0.15 -0.79 -0.01 0.00 1.25 0.00 0.00 42.46 42.77 2joz s ILE 77 CO -0.01 -0.28 -0.20 -1.58 0.24 0.00 0.00 174.94 173.11 2joz s GLN 78 N -1.53 1.89 0.61 0.37 0.74 -0.23 0.07 119.66 121.58 2joz s GLN 78 Ca -0.06 -0.70 -0.13 0.00 0.05 0.00 0.00 55.36 54.52 2joz s GLN 78 Cb -0.09 -1.68 -0.03 0.00 1.10 0.00 0.00 33.01 32.30 2joz s GLN 78 CO 0.01 0.33 1.04 0.71 -0.55 0.00 0.00 175.29 176.83 2joz s TYR 79 N -0.16 3.28 0.35 1.67 2.02 -0.32 -0.34 117.35 123.86 2joz s TYR 79 Ca -0.00 1.42 0.08 0.00 -0.37 0.00 0.00 57.07 58.20 2joz s TYR 79 Cb -0.11 -2.85 -0.07 0.00 -0.40 0.00 0.00 41.96 38.53 2joz s TYR 79 CO 0.02 -0.88 -0.06 -0.51 -1.57 0.00 0.00 175.55 172.55 2joz s LEU 80 N -4.87 2.71 0.00 -1.29 1.43 -0.15 -3.91 118.68 112.61 2joz s LEU 80 Ca 0.59 -1.25 0.00 0.00 -1.03 0.00 0.00 54.13 52.44 2joz s LEU 80 Cb -0.13 -0.90 0.00 0.00 0.03 0.00 0.00 46.19 45.19 2joz s LEU 80 CO 0.45 -0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.34 2joz n GLY 81 N -0.81 -0.30 0.00 -3.19 0.00 -1.26 -4.36 105.19 95.28 2joz n GLY 81 Ca -0.05 -1.91 0.01 0.00 0.00 0.00 0.00 46.02 44.08 2joz n GLY 81 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2joz n PRO 82 N 0.00 0.00 -2.86 1.61 -0.04 -1.26 -2.26 135.00 130.19 2joz n PRO 82 Ca 0.00 0.45 -0.25 0.00 -0.04 0.00 0.00 63.50 63.66 2joz n PRO 82 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 2joz n PRO 82 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2joz n TYR 83 N -1.49 3.39 0.05 0.54 4.01 -1.26 -4.89 117.16 117.51 2joz n TYR 83 Ca 0.01 -3.75 -0.03 0.00 -0.16 0.00 0.00 57.90 53.96 2joz n TYR 83 Cb 0.03 -0.39 -0.08 0.00 -0.31 0.00 0.00 39.34 38.58 2joz n TYR 83 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 2joz h TYR 84 N 2.90 0.00 -0.01 -0.72 -0.00 -1.57 -3.27 116.97 114.31 2joz h TYR 84 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.88 2joz h TYR 84 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.39 2joz h TYR 84 CO 0.78 0.77 -0.17 -0.35 -0.00 0.00 0.00 178.16 179.19 2joz n PRO 85 N -3.12 1.04 -3.06 0.10 -0.05 -1.26 -4.57 135.00 124.07 2joz n PRO 85 Ca -0.06 -0.58 -0.41 0.00 -0.05 0.00 0.00 63.50 62.40 2joz n PRO 85 Cb 0.89 -1.49 -0.06 0.00 -0.05 0.00 0.00 33.50 32.79 2joz n PRO 85 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 175.50 174.28 2joz s LEU 86 N -2.36 4.13 0.30 1.53 2.96 -1.23 -4.97 118.68 119.05 2joz s LEU 86 Ca 0.29 0.49 0.09 0.00 -0.22 0.00 0.00 54.13 54.78 2joz s LEU 86 Cb 0.20 -2.89 -0.05 0.00 0.50 0.00 0.00 46.19 43.95 2joz s LEU 86 CO 0.46 -0.52 0.03 -1.59 -1.32 0.00 0.00 176.35 173.41 2joz s LYS 87 N 2.72 2.23 0.16 1.98 -2.85 -1.26 -1.17 119.74 121.54 2joz s LYS 87 Ca 0.27 -1.55 0.05 0.00 -1.00 0.00 0.00 55.97 53.74 2joz s LYS 87 Cb -0.15 -2.09 -0.04 0.00 -2.06 0.00 0.00 37.83 33.49 2joz s LYS 87 CO 0.12 0.24 -0.10 -1.12 0.10 0.00 0.00 175.35 174.59 2joz s SER 88 N -3.72 1.92 -0.05 0.03 0.01 0.11 -4.64 113.70 107.36 2joz s SER 88 Ca 0.34 -1.02 0.04 0.00 1.31 0.00 0.00 55.95 56.62 2joz s SER 88 Cb -0.04 -0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.14 2joz s SER 88 CO 0.20 -0.31 -0.17 -0.89 0.41 0.00 0.00 173.24 172.47 2joz s THR 89 N -3.28 2.79 -0.12 1.44 2.01 -0.13 -2.17 115.64 116.18 2joz s THR 89 Ca 0.18 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.38 2joz s THR 89 Cb 0.02 -2.07 0.02 0.00 0.01 0.00 0.00 72.50 70.48 2joz s THR 89 CO 0.02 0.58 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.61 2joz s LEU 90 N -0.62 1.79 0.08 4.42 1.43 0.31 -0.11 118.68 125.98 2joz s LEU 90 Ca 0.09 -0.47 0.04 0.00 -1.03 0.00 0.00 54.13 52.76 2joz s LEU 90 Cb -0.11 -1.18 -0.03 0.00 0.03 0.00 0.00 46.19 44.90 2joz s LEU 90 CO 0.01 0.01 -0.11 -0.54 0.23 0.00 0.00 176.35 175.95 2joz s LYS 91 N 1.05 0.81 0.57 1.70 1.02 0.71 0.69 119.74 126.29 2joz s LYS 91 Ca -0.05 -1.05 -0.18 0.00 0.02 0.00 0.00 55.97 54.71 2joz s LYS 91 Cb -0.15 -0.63 -0.04 0.00 -0.52 0.00 0.00 37.83 36.49 2joz s LYS 91 CO -0.03 0.12 1.13 -0.98 -0.92 0.00 0.00 175.35 174.66 2joz s ARG 92 N -2.28 3.20 0.12 1.68 1.70 -0.50 0.05 118.95 122.92 2joz s ARG 92 Ca 0.01 1.57 0.08 0.00 -0.47 0.00 0.00 55.73 56.92 2joz s ARG 92 Cb -0.06 -1.99 -0.04 0.00 -0.57 0.00 0.00 34.95 32.29 2joz s ARG 92 CO 0.01 -0.96 -0.18 0.20 -1.08 0.00 0.00 175.30 173.28 2joz s GLY 93 N -1.95 1.21 0.48 3.88 0.00 0.80 -4.54 107.32 107.19 2joz s GLY 93 Ca 0.72 -1.29 -0.23 0.00 0.00 0.00 0.00 44.72 43.91 2joz s GLY 93 CO 0.31 -1.32 1.29 -0.54 0.00 0.00 0.00 173.10 172.83 2joz s GLU 94 N -2.26 3.59 -1.49 2.90 2.02 -1.26 -2.08 118.70 120.12 2joz s GLU 94 Ca 0.08 2.08 0.00 0.00 0.02 0.00 0.00 54.97 57.15 2joz s GLU 94 Cb -0.08 -2.46 0.00 0.00 0.10 0.00 0.00 34.13 31.69 2joz s GLU 94 CO 0.04 -0.78 0.00 0.09 0.02 0.00 0.00 175.26 174.64 2joz n ASN 95 N -0.50 -4.69 -0.92 -0.19 3.02 -1.26 -3.50 115.26 107.22 2joz n ASN 95 Ca 0.07 0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.96 2joz n ASN 95 Cb 0.45 -3.47 0.00 0.00 -0.61 0.00 0.00 39.78 36.16 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 -1.22 0.52 3.73 7.41 0.00 -1.05 -5.10 105.19 109.48 2joz n GLY 96 Ca -0.14 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.73 1.76 -0.04 2.61 -4.23 -0.88 -4.76 115.64 107.37 2joz s THR 97 Ca 0.00 -1.86 0.04 0.00 -1.18 0.00 0.00 61.69 58.69 2joz s THR 97 Cb 0.00 -2.62 -0.00 0.00 1.34 0.00 0.00 72.50 71.22 2joz s THR 97 CO 0.00 0.00 -0.15 -0.22 -0.54 0.00 0.00 174.62 173.71 2joz s LEU 98 N -3.89 1.90 -0.33 4.79 2.96 -1.15 -0.14 118.68 122.81 2joz s LEU 98 Ca 0.27 -0.31 -0.07 0.00 -0.22 0.00 0.00 54.13 53.80 2joz s LEU 98 Cb 0.04 -0.85 0.03 0.00 0.50 0.00 0.00 46.19 45.91 2joz s LEU 98 CO 0.15 0.14 0.11 -0.63 -1.32 0.00 0.00 176.35 174.79 2joz s ILE 99 N 0.03 3.90 -0.28 6.68 1.01 0.11 -1.47 121.20 131.18 2joz s ILE 99 Ca -0.02 -1.01 -0.08 0.00 0.00 0.00 0.00 60.65 59.53 2joz s ILE 99 Cb -0.10 -3.16 -0.02 0.00 0.01 0.00 0.00 42.46 39.19 2joz s ILE 99 CO 0.01 -0.13 0.11 0.86 0.00 0.00 0.00 174.94 175.79 2joz s TRP 100 N 1.44 3.13 -0.17 3.97 -0.00 -0.23 -0.21 118.94 126.88 2joz s TRP 100 Ca -0.00 -0.50 -0.07 0.00 -0.00 0.00 0.00 56.10 55.52 2joz s TRP 100 Cb -0.19 -2.29 -0.04 0.00 -0.00 0.00 0.00 33.47 30.95 2joz s TRP 100 CO 0.03 -0.40 0.09 -1.21 -0.00 0.00 0.00 176.95 175.45 2joz s GLU 101 N 1.61 3.84 -0.18 5.86 2.02 0.84 -1.62 118.70 131.07 2joz s GLU 101 Ca 0.05 -0.28 -0.07 0.00 0.02 0.00 0.00 54.97 54.69 2joz s GLU 101 Cb -0.16 -3.22 0.08 0.00 0.10 0.00 0.00 34.13 30.93 2joz s GLU 101 CO 0.05 0.41 0.40 -1.14 0.02 0.00 0.00 175.26 175.00 2joz s GLN 102 N -0.01 0.33 -1.91 1.61 -0.44 -0.13 -0.95 119.66 118.15 2joz s GLN 102 Ca 0.07 0.90 0.00 0.00 -2.50 0.00 0.00 55.36 53.84 2joz s GLN 102 Cb -0.12 0.15 0.00 0.00 -1.64 0.00 0.00 33.01 31.40 2joz s GLN 102 CO 0.00 -0.22 0.00 0.09 0.50 0.00 0.00 175.29 175.67 2joz n ASN 103 N 4.94 -5.32 0.00 6.67 3.02 -1.26 -1.32 115.26 121.99 2joz n ASN 103 Ca -0.14 0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 2joz n ASN 103 Cb 0.52 -4.46 0.00 0.00 -0.61 0.00 0.00 39.78 35.23 2joz n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2joz n GLY 104 N -0.74 0.68 3.77 7.41 0.00 -1.26 -5.05 105.19 110.00 2joz n GLY 104 Ca -0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 2joz n GLY 104 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2joz s GLN 105 N -0.77 4.16 -0.21 1.61 -0.21 -0.43 -5.07 119.66 118.74 2joz s GLN 105 Ca 0.00 0.38 -0.09 0.00 0.02 0.00 0.00 55.36 55.67 2joz s GLN 105 Cb 0.00 -3.35 -0.05 0.00 1.00 0.00 0.00 33.01 30.62 2joz s GLN 105 CO 0.00 0.39 0.12 0.50 -2.12 0.00 0.00 175.29 174.18 2joz s ARG 106 N -0.09 4.07 -0.01 2.91 3.52 -1.26 -0.95 118.95 127.13 2joz s ARG 106 Ca 0.23 -0.28 0.05 0.00 -0.13 0.00 0.00 55.73 55.60 2joz s ARG 106 Cb -0.15 -3.41 -0.01 0.00 -1.56 0.00 0.00 34.95 29.81 2joz s ARG 106 CO 0.11 0.18 -0.16 0.15 -0.81 0.00 0.00 175.30 174.77 2joz s LYS 107 N 0.68 1.34 -0.31 5.12 -0.14 -0.64 -5.00 119.74 120.79 2joz s LYS 107 Ca 0.07 -0.58 -0.08 0.00 -1.36 0.00 0.00 55.97 54.02 2joz s LYS 107 Cb -0.12 -1.29 0.01 0.00 -1.68 0.00 0.00 37.83 34.75 2joz s LYS 107 CO 0.01 0.34 0.12 0.99 -0.76 0.00 0.00 175.35 176.05 2joz s THR 108 N -0.34 4.24 0.10 2.17 2.01 -1.26 -1.07 115.64 121.50 2joz s THR 108 Ca 0.05 -0.66 0.10 0.00 0.31 0.00 0.00 61.69 61.50 2joz s THR 108 Cb -0.07 -3.22 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 2joz s THR 108 CO -0.00 0.01 -0.25 0.00 -0.69 0.00 0.00 174.62 173.69 2joz s MET 109 N 1.54 1.57 0.14 4.92 0.23 -0.54 -4.92 119.30 122.24 2joz s MET 109 Ca 0.03 -1.25 -0.00 0.00 -1.03 0.00 0.00 55.69 53.43 2joz s MET 109 Cb -0.18 -1.96 -0.04 0.00 -1.53 0.00 0.00 34.83 31.12 2joz s MET 109 CO 0.04 0.47 0.32 0.99 -2.03 0.00 0.00 175.02 174.81 2joz s THR 110 N -1.00 5.27 -0.17 3.16 2.01 -1.26 -2.92 115.64 120.73 2joz s THR 110 Ca 0.14 -0.38 -0.25 0.00 0.31 0.00 0.00 61.69 61.51 2joz s THR 110 Cb -0.10 -3.69 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 2joz s THR 110 CO 0.05 -0.04 0.82 -0.60 -0.69 0.00 0.00 174.62 174.16 2joz s ARG 111 N -2.99 4.30 0.59 4.92 3.52 -1.26 -3.07 118.95 124.96 2joz s ARG 111 Ca 0.37 0.99 -0.16 0.00 -0.13 0.00 0.00 55.73 56.81 2joz s ARG 111 Cb -0.12 -3.57 -0.04 0.00 -1.56 0.00 0.00 34.95 29.67 2joz s ARG 111 CO 0.28 -0.31 1.06 0.42 -0.81 0.00 0.00 175.30 175.94 2joz s ILE 112 N 2.08 3.79 -0.92 4.11 -1.09 -0.76 -4.92 121.20 123.50 2joz s ILE 112 Ca 0.38 0.85 -0.24 0.00 -2.23 0.00 0.00 60.65 59.41 2joz s ILE 112 Cb -0.17 -3.38 -0.02 0.00 -1.58 0.00 0.00 42.46 37.32 2joz s ILE 112 CO 0.13 -0.50 1.82 -1.61 -1.23 0.00 0.00 174.94 173.55 2joz s GLU 113 N -4.08 2.81 0.26 2.79 8.01 -1.26 -4.75 118.70 122.47 2joz s GLU 113 Ca 0.64 -0.47 0.00 0.00 0.01 0.00 0.00 54.97 55.15 2joz s GLU 113 Cb -0.16 -5.11 0.00 0.00 -4.31 0.00 0.00 34.13 24.55 2joz s GLU 113 CO 0.37 -3.08 0.00 0.43 0.01 0.00 0.00 175.26 172.99 2joz n SER 114 N 12.70 -4.93 -4.53 -0.19 7.64 -1.26 -4.72 113.62 118.33 2joz n SER 114 Ca 0.38 0.52 -0.42 0.00 1.01 0.00 0.00 58.87 60.36 2joz n SER 114 Cb 0.48 -2.62 -0.07 0.00 -1.01 0.00 0.00 64.21 60.99 2joz n SER 114 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2joz s LYS 115 N -2.46 3.40 -0.03 1.43 -2.85 -1.26 -4.68 119.74 113.29 2joz s LYS 115 Ca 0.00 -0.31 -0.22 0.00 -1.00 0.00 0.00 55.97 54.43 2joz s LYS 115 Cb 0.00 -3.89 -0.05 0.00 -2.06 0.00 0.00 37.83 31.83 2joz s LYS 115 CO 0.00 -0.85 0.66 0.99 0.10 0.00 0.00 175.35 176.25 2joz s THR 116 N 2.59 4.96 0.00 3.79 2.01 -1.26 -4.90 115.64 122.82 2joz s THR 116 Ca 0.20 1.38 0.00 0.00 0.31 0.00 0.00 61.69 63.58 2joz s THR 116 Cb -0.15 -4.00 0.00 0.00 0.01 0.00 0.00 72.50 68.36 2joz s THR 116 CO 0.16 0.33 0.00 0.61 -0.69 0.00 0.00 174.62 175.03 2joz n GLY 117 N 2.77 -0.17 3.23 4.40 0.00 -1.26 -5.03 105.19 109.14 2joz n GLY 117 Ca -0.04 -2.21 -0.10 0.00 0.00 0.00 0.00 46.02 43.67 2joz n GLY 117 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2joz s ARG 118 N 0.00 0.33 -0.33 1.61 3.52 -1.26 -5.12 118.95 117.70 2joz s ARG 118 Ca 0.00 0.88 -0.29 0.00 -0.13 0.00 0.00 55.73 56.19 2joz s ARG 118 Cb 0.00 0.12 0.00 0.00 -1.56 0.00 0.00 34.95 33.51 2joz s ARG 118 CO 0.00 -0.21 1.40 -1.83 -0.81 0.00 0.00 175.30 173.85 2joz s GLU 119 N 2.03 3.75 0.00 5.12 1.03 -1.26 -4.63 118.70 124.74 2joz s GLU 119 Ca -0.05 1.19 0.00 0.00 0.03 0.00 0.00 54.97 56.14 2joz s GLU 119 Cb -0.10 -3.97 0.00 0.00 -0.80 0.00 0.00 34.13 29.26 2joz s GLU 119 CO -0.12 -1.34 0.00 -1.91 -1.33 0.00 0.00 175.26 170.56 2joz n GLU 120 N 7.68 0.00 -2.35 -4.83 2.13 -1.26 -5.15 120.64 116.87 2joz n GLU 120 Ca 0.16 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.97 2joz n GLU 120 Cb 0.47 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.17 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 -2.28 -4.83 -3.43 5.31 0.00 -1.26 -4.97 118.16 106.70 2joz n LYS 121 Ca 0.00 3.56 -0.38 0.00 0.00 0.00 0.00 58.31 61.49 2joz n LYS 121 Cb 0.00 -4.62 -0.06 0.00 0.00 0.00 0.00 35.03 30.34 2joz n LYS 121 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2joz s ASP 122 N -0.59 6.73 0.11 3.14 2.15 -1.26 -4.86 116.67 122.08 2joz s ASP 122 Ca -0.07 0.86 0.00 0.00 0.43 0.00 0.00 52.55 53.77 2joz s ASP 122 Cb 0.00 -2.26 0.00 0.00 -0.30 0.00 0.00 42.92 40.37 2joz s ASP 122 CO 0.19 0.18 0.00 1.21 -0.17 0.00 0.00 175.17 176.58 2joz n GLU 123 N 2.70 -2.21 -2.11 4.34 2.13 -1.26 -4.90 120.64 119.32 2joz n GLU 123 Ca -0.11 1.79 -0.42 0.00 0.66 0.00 0.00 57.16 59.07 2joz n GLU 123 Cb 0.52 -1.70 -0.03 0.00 0.27 0.00 0.00 31.44 30.50 2joz n GLU 123 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2joz s LYS 124 N -2.41 4.23 -0.46 5.31 1.02 -1.26 -4.99 119.74 121.19 2joz s LYS 124 Ca 0.00 2.08 -0.03 0.00 0.02 0.00 0.00 55.97 58.04 2joz s LYS 124 Cb 0.00 -3.72 0.12 0.00 -0.52 0.00 0.00 37.83 33.71 2joz s LYS 124 CO 0.00 -0.70 0.26 -1.12 -0.92 0.00 0.00 175.35 172.87 2joz s SER 125 N 2.44 5.28 -0.90 2.83 0.01 -1.26 -5.00 113.70 117.10 2joz s SER 125 Ca 0.68 -2.19 -0.00 0.00 1.31 0.00 0.00 55.95 55.75 2joz s SER 125 Cb -0.33 -1.85 0.27 0.00 0.21 0.00 0.00 66.02 64.33 2joz s SER 125 CO 0.28 -0.52 1.10 1.17 0.41 0.00 0.00 173.24 175.67 2joz n LYS 126 N 4.39 3.47 -3.15 12.44 4.81 -1.26 -4.86 118.16 134.00 2joz n LYS 126 Ca -0.01 -4.58 0.05 0.00 -0.87 0.00 0.00 58.31 52.90 2joz n LYS 126 Cb 0.41 -2.41 -0.00 0.00 0.02 0.00 0.00 35.03 33.05 2joz n LYS 126 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2joz s SER 127 N -1.63 -0.54 -0.18 3.14 0.15 -1.26 -5.16 113.70 108.22 2joz s SER 127 Ca 0.33 0.06 -0.06 0.00 0.70 0.00 0.00 55.95 56.99 2joz s SER 127 Cb 0.06 1.34 -0.03 0.00 -1.71 0.00 0.00 66.02 65.68 2joz s SER 127 CO 0.02 -0.10 0.01 -0.76 1.20 0.00 0.00 173.24 173.61 2joz s LEU 128 N 2.94 3.48 -1.26 3.45 1.02 -1.26 -5.02 118.68 122.04 2joz s LEU 128 Ca 0.26 -0.06 -0.19 0.00 0.02 0.00 0.00 54.13 54.15 2joz s LEU 128 Cb -0.03 -1.87 0.01 0.00 0.02 0.00 0.00 46.19 44.33 2joz s LEU 128 CO -0.23 0.14 1.85 -0.62 0.02 0.00 0.00 176.35 177.51 2joz n GLU 129 N 3.72 2.62 -1.95 1.70 -0.58 -1.26 -4.92 120.64 119.97 2joz n GLU 129 Ca -0.17 -2.92 -0.39 0.00 -0.42 0.00 0.00 57.16 53.26 2joz n GLU 129 Cb 0.52 -3.52 -0.03 0.00 -0.57 0.00 0.00 31.44 27.84 2joz n GLU 129 CO 0.00 0.00 0.00 -3.38 -0.48 0.00 0.00 177.13 173.27 2joz s HIS 130 N 6.19 1.60 0.26 -0.32 -3.43 -1.26 -4.70 115.29 113.63 2joz s HIS 130 Ca 0.58 0.86 0.09 0.00 -0.80 0.00 0.00 55.06 55.79 2joz s HIS 130 Cb 0.04 -4.02 -0.05 0.00 -1.43 0.00 0.00 32.58 27.12 2joz s HIS 130 CO 0.08 -2.52 -0.13 -1.01 -2.00 0.00 0.00 174.74 169.16 2joz s HIS 131 N 9.00 2.00 -0.30 0.38 3.76 -1.24 -5.08 115.29 123.81 2joz s HIS 131 Ca 0.75 -0.54 -0.15 0.00 -0.15 0.00 0.00 55.06 54.97 2joz s HIS 131 Cb -0.16 -1.00 0.16 0.00 1.11 0.00 0.00 32.58 32.69 2joz s HIS 131 CO 0.25 0.45 0.98 -3.38 -0.85 0.00 0.00 174.74 172.19 2joz s HIS 132 N -2.83 -0.66 -0.29 1.40 -3.43 -1.22 -4.12 115.29 104.15 2joz s HIS 132 Ca 0.27 1.17 0.03 0.00 -0.80 0.00 0.00 55.06 55.73 2joz s HIS 132 Cb -0.00 0.39 0.19 0.00 -1.43 0.00 0.00 32.58 31.73 2joz s HIS 132 CO 0.11 -0.33 0.56 -1.01 -2.00 0.00 0.00 174.74 172.08 2joz s HIS 133 N 2.23 -1.62 -0.22 0.38 3.76 -1.26 -5.00 115.29 113.56 2joz s HIS 133 Ca -0.04 1.19 -0.03 0.00 -0.15 0.00 0.00 55.06 56.03 2joz s HIS 133 Cb -0.06 0.33 -0.01 0.00 1.11 0.00 0.00 32.58 33.96 2joz s HIS 133 CO -0.17 -0.99 -0.05 -1.58 -0.85 0.00 0.00 174.74 171.10 2joz s HIS 134 N 2.79 2.95 -2.00 1.40 2.46 -1.26 -4.28 115.29 117.35 2joz s HIS 134 Ca 0.14 -1.00 0.24 0.00 0.47 0.00 0.00 55.06 54.90 2joz s HIS 134 Cb -0.12 -2.09 1.41 0.00 -0.13 0.00 0.00 32.58 31.64 2joz s HIS 134 CO -0.24 -0.57 1.77 1.58 -2.47 0.00 0.00 174.74 174.81