#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 0.13 -0.27 2.02 -4.36 -1.26 -5.14 121.20 112.32 2joz s ILE 2 Ca 0.00 -1.90 -0.00 0.00 -0.26 0.00 0.00 60.65 58.49 2joz s ILE 2 Cb 0.00 -1.97 0.08 0.00 1.25 0.00 0.00 42.46 41.82 2joz s ILE 2 CO 0.00 -0.54 0.04 -0.04 0.24 0.00 0.00 174.94 174.64 2joz s MET 3 N -4.03 1.01 0.28 0.37 -1.94 -1.26 -5.11 119.30 108.62 2joz s MET 3 Ca 0.22 -1.00 -0.30 0.00 -1.71 0.00 0.00 55.69 52.90 2joz s MET 3 Cb 0.08 -2.29 -0.11 0.00 2.01 0.00 0.00 34.83 34.52 2joz s MET 3 CO 0.00 -0.82 1.48 0.54 -0.01 0.00 0.00 175.02 176.22 2joz s VAL 4 N 1.54 2.42 -0.04 -6.03 0.11 -1.26 -5.01 120.40 112.13 2joz s VAL 4 Ca 0.04 0.36 0.02 0.00 -2.93 0.00 0.00 61.98 59.47 2joz s VAL 4 Cb -0.18 -3.23 0.01 0.00 -1.53 0.00 0.00 36.38 31.45 2joz s VAL 4 CO -0.15 0.06 -0.09 -0.44 -3.33 0.00 0.00 175.10 171.16 2joz s SER 5 N 0.28 1.23 0.00 3.54 0.01 -1.26 -5.08 113.70 112.42 2joz s SER 5 Ca 0.59 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.66 2joz s SER 5 Cb -0.44 -0.42 0.00 0.00 0.21 0.00 0.00 66.02 65.37 2joz s SER 5 CO 0.47 0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.77 2joz n GLY 6 N 3.52 0.47 2.53 3.44 0.00 -1.26 -5.02 105.19 108.86 2joz n GLY 6 Ca -0.20 -2.05 -0.17 0.00 0.00 0.00 0.00 46.02 43.59 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 -3.47 1.07 -1.55 0.00 -2.07 -1.26 -4.68 119.66 107.69 2joz s GLN 8 Ca 0.00 -1.17 0.00 0.00 -1.82 0.00 0.00 55.36 52.37 2joz s GLN 8 Cb 0.00 -1.19 0.00 0.00 -1.09 0.00 0.00 33.01 30.73 2joz s GLN 8 CO 0.00 0.26 0.00 1.04 -1.32 0.00 0.00 175.29 175.27 2joz n GLN 9 N 0.92 -1.13 -3.17 9.60 6.02 -1.26 -4.98 117.38 123.37 2joz n GLN 9 Ca -0.18 0.96 -0.40 0.00 -0.01 0.00 0.00 57.00 57.36 2joz n GLN 9 Cb 0.55 -5.18 -0.07 0.00 1.02 0.00 0.00 30.24 26.56 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 -3.79 4.15 -0.16 -1.09 0.74 -1.26 -5.05 119.66 113.20 2joz s GLN 10 Ca 0.00 0.49 0.02 0.00 0.05 0.00 0.00 55.36 55.91 2joz s GLN 10 Cb 0.00 -3.61 0.02 0.00 1.10 0.00 0.00 33.01 30.52 2joz s GLN 10 CO 0.00 -0.29 -0.20 0.15 -0.55 0.00 0.00 175.29 174.40 2joz s LYS 11 N 2.10 2.92 -0.21 1.67 3.01 -1.26 -5.10 119.74 122.87 2joz s LYS 11 Ca 0.25 -0.81 0.01 0.00 -1.01 0.00 0.00 55.97 54.41 2joz s LYS 11 Cb -0.16 -2.45 0.03 0.00 -1.01 0.00 0.00 37.83 34.25 2joz s LYS 11 CO 0.09 -0.12 -0.15 -1.21 0.51 0.00 0.00 175.35 174.47 2joz s GLU 12 N 1.08 2.82 0.00 1.68 2.02 -1.26 -4.98 118.70 120.06 2joz s GLU 12 Ca -0.01 -0.96 0.13 0.00 0.02 0.00 0.00 54.97 54.16 2joz s GLU 12 Cb -0.14 -2.72 0.77 0.00 0.10 0.00 0.00 34.13 32.15 2joz s GLU 12 CO -0.07 -0.31 1.50 0.39 0.02 0.00 0.00 175.26 176.78 2joz n GLU 13 N 4.59 1.01 -1.66 1.61 1.02 -1.26 -4.83 120.64 121.12 2joz n GLU 13 Ca -0.19 -0.02 -0.43 0.00 -0.02 0.00 0.00 57.16 56.50 2joz n GLU 13 Cb 0.48 -1.21 -0.03 0.00 -0.02 0.00 0.00 31.44 30.66 2joz n GLU 13 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2joz n THR 14 N -0.68 0.73 -1.53 2.62 -1.04 -1.26 -4.86 114.28 108.26 2joz n THR 14 Ca 0.10 -0.15 -0.47 0.00 -2.04 0.00 0.00 64.05 61.49 2joz n THR 14 Cb 0.05 -2.26 -0.05 0.00 -1.82 0.00 0.00 70.33 66.25 2joz n THR 14 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2joz n PRO 15 N 7.45 1.55 0.26 -2.82 -0.02 -1.26 -4.83 135.00 135.32 2joz n PRO 15 Ca 0.21 0.43 0.11 0.00 -2.02 0.00 0.00 63.50 62.23 2joz n PRO 15 Cb 0.39 -2.83 0.71 0.00 -0.02 0.00 0.00 33.50 31.75 2joz n PRO 15 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2joz h PHE 16 N 13.47 0.00 0.00 6.00 -0.00 -1.93 -2.17 116.94 132.31 2joz h PHE 16 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.62 2joz h PHE 16 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.23 2joz h PHE 16 CO 0.95 0.09 -0.56 2.48 -0.00 0.00 0.00 178.31 181.27 2joz n TYR 17 N -3.97 0.37 -3.13 6.09 4.11 -1.26 -4.90 117.16 114.46 2joz n TYR 17 Ca -0.02 0.11 -0.38 0.00 -0.00 0.00 0.00 57.90 57.61 2joz n TYR 17 Cb 0.18 -0.53 -0.06 0.00 -0.00 0.00 0.00 39.34 38.93 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 -3.11 3.76 -4.20 -3.48 5.04 -0.82 -4.89 117.35 109.66 2joz s TYR 18 Ca 0.08 1.40 0.00 0.00 -2.44 0.00 0.00 57.07 56.11 2joz s TYR 18 Cb 0.15 -2.61 0.00 0.00 0.35 0.00 0.00 41.96 39.85 2joz s TYR 18 CO 0.71 0.47 0.00 0.41 -1.34 0.00 0.00 175.55 175.79 2joz n GLY 19 N 1.25 0.90 3.23 8.97 0.00 -1.26 -4.97 105.19 113.31 2joz n GLY 19 Ca -0.06 -1.94 -0.34 0.00 0.00 0.00 0.00 46.02 43.69 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 -2.55 2.63 -0.07 2.61 2.01 -1.26 -1.60 115.64 117.42 2joz s THR 20 Ca 0.00 -0.76 0.04 0.00 0.31 0.00 0.00 61.69 61.28 2joz s THR 20 Cb 0.00 -2.14 -0.02 0.00 0.01 0.00 0.00 72.50 70.36 2joz s THR 20 CO 0.00 0.50 -0.18 0.26 -0.69 0.00 0.00 174.62 174.51 2joz s TRP 21 N 1.14 2.62 0.12 4.92 0.52 0.64 -2.54 118.94 126.35 2joz s TRP 21 Ca 0.01 -0.44 0.06 0.00 0.02 0.00 0.00 56.10 55.75 2joz s TRP 21 Cb -0.14 -1.66 -0.04 0.00 -1.15 0.00 0.00 33.47 30.48 2joz s TRP 21 CO -0.05 -0.03 -0.02 0.34 0.02 0.00 0.00 176.95 177.21 2joz s ASP 22 N -0.33 4.82 0.58 2.95 2.15 0.98 -0.47 116.67 127.34 2joz s ASP 22 Ca 0.02 -0.29 0.33 0.00 0.43 0.00 0.00 52.55 53.04 2joz s ASP 22 Cb -0.13 -1.07 1.76 0.00 -0.30 0.00 0.00 42.92 43.19 2joz s ASP 22 CO 0.02 0.15 2.18 -0.33 -0.17 0.00 0.00 175.17 177.02 2joz h GLU 23 N 3.23 0.00 0.00 4.34 5.08 -1.82 0.29 114.58 125.69 2joz h GLU 23 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2joz h GLU 23 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2joz h GLU 23 CO 0.58 0.05 0.00 0.41 -1.00 0.00 0.00 179.01 179.05 2joz n GLY 24 N -0.87 2.87 3.72 -3.84 0.00 -1.26 -4.55 105.19 101.26 2joz n GLY 24 Ca -0.02 -0.77 -0.01 0.00 0.00 0.00 0.00 46.02 45.21 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 0.00 0.89 0.14 1.61 3.52 -1.26 -5.10 118.95 118.75 2joz s ARG 25 Ca 0.00 -0.50 0.00 0.00 -0.13 0.00 0.00 55.73 55.10 2joz s ARG 25 Cb 0.00 0.30 0.00 0.00 -1.56 0.00 0.00 34.95 33.69 2joz s ARG 25 CO 0.00 -0.41 0.00 0.00 -0.81 0.00 0.00 175.30 174.08 2joz n ALA 26 N -0.51 -0.94 -1.36 6.12 0.00 -1.26 -5.02 120.51 117.54 2joz n ALA 26 Ca -0.07 0.11 -0.30 0.00 0.00 0.00 0.00 53.44 53.19 2joz n ALA 26 Cb 0.61 -0.73 0.21 0.00 0.00 0.00 0.00 19.45 19.55 2joz n ALA 26 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2joz s PRO 27 N -4.47 -0.44 0.00 0.00 0.04 -1.22 -4.47 135.00 124.43 2joz s PRO 27 Ca 0.00 -0.11 0.00 0.00 0.04 0.00 0.00 61.00 60.93 2joz s PRO 27 Cb 0.00 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.85 2joz s PRO 27 CO 0.00 -3.18 0.00 0.41 0.04 0.00 0.00 177.00 174.27 2joz n GLY 28 N -1.86 4.61 3.37 0.56 0.00 0.41 -4.79 105.19 107.50 2joz n GLY 28 Ca 0.13 -1.89 -0.36 0.00 0.00 0.00 0.00 46.02 43.89 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 0.18 0.00 1.61 -0.04 -1.26 -4.68 135.00 130.81 2joz n PRO 29 Ca 0.00 0.09 0.07 0.00 -0.04 0.00 0.00 63.50 63.62 2joz n PRO 29 Cb 0.00 -1.60 0.36 0.00 -0.04 0.00 0.00 33.50 32.22 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 -2.34 0.52 0.29 0.52 5.66 -1.26 -2.46 114.28 115.20 2joz n THR 30 Ca 0.08 0.13 0.18 0.00 -3.05 0.00 0.00 64.05 61.39 2joz n THR 30 Cb 0.50 -0.90 0.98 0.00 -1.55 0.00 0.00 70.33 69.36 2joz n THR 30 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 2joz h ASP 31 N 0.00 0.00 0.00 1.09 3.32 -2.04 -3.44 116.42 115.35 2joz h ASP 31 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2joz h ASP 31 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2joz h ASP 31 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 2joz n GLY 32 N -1.25 1.44 3.74 2.75 0.00 -1.03 -5.01 105.19 105.84 2joz n GLY 32 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.44 5.02 -0.52 1.61 1.01 -1.04 -1.81 120.40 123.22 2joz s VAL 33 Ca 0.00 1.21 0.22 0.00 0.00 0.00 0.00 61.98 63.41 2joz s VAL 33 Cb 0.00 -3.92 -0.28 0.00 0.00 0.00 0.00 36.38 32.18 2joz s VAL 33 CO 0.00 0.36 0.71 0.29 0.00 0.00 0.00 175.10 176.45 2joz n LYS 34 N 3.21 0.33 0.00 2.72 5.02 0.10 -0.45 118.16 129.10 2joz n LYS 34 Ca -0.06 -0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 2joz n LYS 34 Cb 0.51 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 2joz n LYS 34 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2joz n SER 35 N -1.88 0.00 -4.23 4.39 3.41 -1.19 -3.45 113.62 110.67 2joz n SER 35 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 2joz n SER 35 Cb 0.45 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.24 2joz n SER 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2joz s ALA 36 N -2.00 1.90 -0.10 7.33 0.00 -1.26 -0.22 121.76 127.40 2joz s ALA 36 Ca 0.00 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.06 2joz s ALA 36 Cb 0.00 -0.57 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 2joz s ALA 36 CO 0.00 0.39 -0.21 0.95 0.00 0.00 0.00 175.76 176.89 2joz s THR 37 N -0.23 2.33 -0.10 0.00 -4.23 0.30 -3.16 115.64 110.56 2joz s THR 37 Ca 0.00 -0.93 0.01 0.00 -1.18 0.00 0.00 61.69 59.59 2joz s THR 37 Cb -0.12 -1.91 -0.02 0.00 1.34 0.00 0.00 72.50 71.79 2joz s THR 37 CO 0.02 0.55 -0.11 0.54 -0.54 0.00 0.00 174.62 175.08 2joz s VAL 38 N 0.27 3.28 -0.13 2.29 0.11 0.38 -0.62 120.40 125.98 2joz s VAL 38 Ca -0.15 -0.61 0.03 0.00 -2.93 0.00 0.00 61.98 58.32 2joz s VAL 38 Cb -0.17 -2.36 0.01 0.00 -1.53 0.00 0.00 36.38 32.33 2joz s VAL 38 CO 0.07 0.55 -0.22 -0.89 -3.33 0.00 0.00 175.10 171.28 2joz s THR 39 N -0.15 2.04 -0.30 5.04 2.01 0.96 -0.26 115.64 124.98 2joz s THR 39 Ca 0.00 -0.98 -0.11 0.00 0.31 0.00 0.00 61.69 60.92 2joz s THR 39 Cb -0.13 -1.79 -0.03 0.00 0.01 0.00 0.00 72.50 70.55 2joz s THR 39 CO 0.03 0.55 0.18 -0.36 -0.69 0.00 0.00 174.62 174.33 2joz s PHE 40 N 0.70 3.20 0.59 4.92 0.08 -0.63 -0.32 117.98 126.53 2joz s PHE 40 Ca -0.10 -0.12 0.05 0.00 0.12 0.00 0.00 56.93 56.89 2joz s PHE 40 Cb -0.16 -2.38 0.08 0.00 -0.57 0.00 0.00 43.02 39.99 2joz s PHE 40 CO 0.01 -0.27 0.81 0.99 -0.10 0.00 0.00 175.22 176.66 2joz s THR 41 N 1.71 2.35 0.35 0.64 2.01 0.10 -4.14 115.64 118.67 2joz s THR 41 Ca 0.06 -0.84 0.03 0.00 0.31 0.00 0.00 61.69 61.26 2joz s THR 41 Cb -0.16 -2.51 0.24 0.00 0.01 0.00 0.00 72.50 70.07 2joz s THR 41 CO 0.09 0.00 1.98 -0.08 -0.69 0.00 0.00 174.62 175.93 2joz h GLU 42 N 0.03 0.73 0.00 4.92 4.81 -2.02 -3.27 114.58 119.78 2joz h GLU 42 Ca -0.35 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 2joz h GLU 42 Cb 1.28 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.51 2joz h GLU 42 CO 0.43 0.53 0.00 -0.25 -0.73 0.00 0.00 179.01 178.99 2joz n ASP 43 N -4.41 0.08 -4.28 1.04 8.00 -1.26 -5.04 116.55 110.67 2joz n ASP 43 Ca 0.05 -0.38 -0.21 0.00 0.71 0.00 0.00 54.79 54.96 2joz n ASP 43 Cb 0.09 0.48 -0.12 0.00 -0.02 0.00 0.00 41.12 41.56 2joz n ASP 43 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2joz s GLU 44 N -0.48 1.14 -0.24 -1.24 8.01 -1.23 -1.38 118.70 123.26 2joz s GLU 44 Ca 0.00 -1.27 -0.07 0.00 0.01 0.00 0.00 54.97 53.64 2joz s GLU 44 Cb 0.00 -1.19 -0.03 0.00 -4.31 0.00 0.00 34.13 28.61 2joz s GLU 44 CO 0.00 0.25 0.05 0.08 0.01 0.00 0.00 175.26 175.65 2joz s VAL 45 N -1.82 4.14 -0.20 2.63 1.01 0.17 0.03 120.40 126.36 2joz s VAL 45 Ca 0.10 -0.23 -0.06 0.00 0.00 0.00 0.00 61.98 61.79 2joz s VAL 45 Cb -0.07 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 2joz s VAL 45 CO 0.05 0.36 0.03 -0.69 0.00 0.00 0.00 175.10 174.84 2joz s VAL 46 N 1.55 4.20 -0.16 2.92 1.01 0.57 -1.66 120.40 128.82 2joz s VAL 46 Ca 0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 61.98 61.79 2joz s VAL 46 Cb -0.15 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.31 2joz s VAL 46 CO 0.02 0.42 -0.08 -0.70 0.00 0.00 0.00 175.10 174.76 2joz s GLU 47 N 0.97 3.47 -0.13 2.72 2.12 -1.26 -0.03 118.70 126.56 2joz s GLU 47 Ca 0.02 -0.62 0.02 0.00 0.36 0.00 0.00 54.97 54.75 2joz s GLU 47 Cb -0.14 -2.82 -0.00 0.00 0.26 0.00 0.00 34.13 31.43 2joz s GLU 47 CO 0.02 0.11 -0.19 0.95 -0.54 0.00 0.00 175.26 175.61 2joz s THR 48 N 0.65 2.40 -0.20 -1.70 -4.23 0.21 -0.77 115.64 112.00 2joz s THR 48 Ca -0.04 -0.88 -0.10 0.00 -1.18 0.00 0.00 61.69 59.48 2joz s THR 48 Cb -0.15 -1.97 -0.05 0.00 1.34 0.00 0.00 72.50 71.67 2joz s THR 48 CO 0.02 0.54 0.14 -1.61 -0.54 0.00 0.00 174.62 173.17 2joz s GLU 49 N 0.54 4.18 -0.44 3.99 2.02 -0.90 -0.54 118.70 127.54 2joz s GLU 49 Ca -0.12 -0.22 -0.22 0.00 0.02 0.00 0.00 54.97 54.43 2joz s GLU 49 Cb -0.17 -3.43 0.02 0.00 0.10 0.00 0.00 34.13 30.66 2joz s GLU 49 CO 0.04 0.27 0.71 0.08 0.02 0.00 0.00 175.26 176.38 2joz s VAL 50 N 0.44 4.75 0.05 2.63 1.01 0.69 -1.26 120.40 128.71 2joz s VAL 50 Ca 0.08 0.27 0.08 0.00 0.00 0.00 0.00 61.98 62.41 2joz s VAL 50 Cb -0.11 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 2joz s VAL 50 CO -0.01 -0.65 -0.23 -0.32 0.00 0.00 0.00 175.10 173.89 2joz s MET 51 N 3.04 1.54 0.27 2.72 0.00 -0.57 0.02 119.30 126.32 2joz s MET 51 Ca 0.26 -1.04 -0.30 0.00 0.00 0.00 0.00 55.69 54.61 2joz s MET 51 Cb -0.13 -1.71 -0.11 0.00 0.00 0.00 0.00 34.83 32.88 2joz s MET 51 CO 0.21 0.44 1.52 -2.00 0.00 0.00 0.00 175.02 175.18 2joz s GLU 52 N -1.29 4.19 0.00 4.11 2.56 -0.75 -0.28 118.70 127.25 2joz s GLU 52 Ca 0.09 2.44 0.00 0.00 0.00 0.00 0.00 54.97 57.51 2joz s GLU 52 Cb -0.09 -3.07 0.00 0.00 2.00 0.00 0.00 34.13 32.97 2joz s GLU 52 CO 0.02 -0.53 0.00 0.41 -0.56 0.00 0.00 175.26 174.60 2joz n GLY 53 N 2.18 2.42 0.11 -1.50 0.00 -1.26 -4.61 105.19 102.53 2joz n GLY 53 Ca 0.07 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 2joz n GLY 53 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2joz n ARG 54 N 0.00 0.68 0.00 1.61 1.85 -1.19 -5.09 116.66 114.52 2joz n ARG 54 Ca 0.00 0.15 0.00 0.00 -1.00 0.00 0.00 57.85 57.00 2joz n ARG 54 Cb 0.00 -1.63 0.00 0.00 -1.05 0.00 0.00 32.46 29.78 2joz n ARG 54 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2joz n GLY 55 N 1.84 -0.08 3.63 2.89 0.00 0.62 -4.84 105.19 109.26 2joz n GLY 55 Ca -0.31 -1.59 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 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 3.88 -0.22 1.61 2.02 -1.23 -1.52 118.70 123.24 2joz s GLU 56 Ca 0.00 1.46 -0.05 0.00 0.02 0.00 0.00 54.97 56.40 2joz s GLU 56 Cb 0.00 -3.95 -0.02 0.00 0.10 0.00 0.00 34.13 30.26 2joz s GLU 56 CO 0.00 -1.18 0.01 0.08 0.02 0.00 0.00 175.26 174.19 2joz s VAL 57 N 4.70 3.90 -0.26 2.63 1.01 -0.39 -4.91 120.40 127.08 2joz s VAL 57 Ca 0.63 -0.32 -0.24 0.00 0.00 0.00 0.00 61.98 62.05 2joz s VAL 57 Cb -0.21 -2.78 -0.00 0.00 0.00 0.00 0.00 36.38 33.39 2joz s VAL 57 CO 0.26 0.41 0.80 -1.10 0.00 0.00 0.00 175.10 175.46 2joz s GLN 58 N 1.25 4.11 0.46 2.72 -0.21 -1.26 -2.12 119.66 124.61 2joz s GLN 58 Ca 0.04 0.80 -0.13 0.00 0.02 0.00 0.00 55.36 56.09 2joz s GLN 58 Cb -0.15 -3.67 -0.07 0.00 1.00 0.00 0.00 33.01 30.12 2joz s GLN 58 CO 0.01 -0.56 0.88 -0.51 -2.12 0.00 0.00 175.29 172.99 2joz s LEU 59 N 2.85 3.72 -0.16 2.90 1.43 0.05 -4.98 118.68 124.50 2joz s LEU 59 Ca 0.33 1.35 -0.39 0.00 -1.03 0.00 0.00 54.13 54.40 2joz s LEU 59 Cb -0.15 -4.26 -0.16 0.00 0.03 0.00 0.00 46.19 41.65 2joz s LEU 59 CO 0.09 -0.50 1.64 -2.65 0.23 0.00 0.00 176.35 175.17 2joz n PRO 60 N -1.45 1.25 -2.00 1.29 -0.02 -1.26 -4.32 135.00 128.48 2joz n PRO 60 Ca 0.04 0.46 -0.41 0.00 -2.02 0.00 0.00 63.50 61.57 2joz n PRO 60 Cb 0.54 -2.14 -0.01 0.00 -0.02 0.00 0.00 33.50 31.86 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 2.71 2.89 -0.11 6.00 -0.12 -1.26 -4.82 117.98 123.26 2joz s PHE 61 Ca 0.94 1.32 -0.00 0.00 -0.05 0.00 0.00 56.93 59.14 2joz s PHE 61 Cb -1.00 -3.80 -0.02 0.00 -0.63 0.00 0.00 43.02 37.56 2joz s PHE 61 CO 0.59 -2.27 -0.10 -1.64 -0.05 0.00 0.00 175.22 171.76 2joz s MET 62 N -1.88 3.20 0.12 1.99 -1.94 -0.67 -4.86 119.30 115.27 2joz s MET 62 Ca 0.50 -0.62 -0.30 0.00 -1.71 0.00 0.00 55.69 53.57 2joz s MET 62 Cb -0.42 -2.66 -0.06 0.00 2.01 0.00 0.00 34.83 33.70 2joz s MET 62 CO 0.56 0.37 0.98 0.00 -0.01 0.00 0.00 175.02 176.93 2joz s ALA 63 N -0.04 3.26 0.13 3.03 0.00 -1.26 0.44 121.76 127.32 2joz s ALA 63 Ca -0.01 0.61 0.05 0.00 0.00 0.00 0.00 51.96 52.61 2joz s ALA 63 Cb -0.14 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 2joz s ALA 63 CO 0.03 -0.06 -0.12 1.52 0.00 0.00 0.00 175.76 177.14 2joz s TYR 64 N -0.02 1.28 0.19 0.00 1.13 -0.48 -2.39 117.35 117.05 2joz s TYR 64 Ca 0.47 -0.66 0.07 0.00 -1.41 0.00 0.00 57.07 55.55 2joz s TYR 64 Cb -0.24 -0.66 -0.05 0.00 -1.10 0.00 0.00 41.96 39.91 2joz s TYR 64 CO 0.31 0.10 -0.14 0.15 -2.51 0.00 0.00 175.55 173.45 2joz s LYS 65 N -3.16 1.27 -0.27 -3.49 1.02 0.53 -4.83 119.74 110.82 2joz s LYS 65 Ca 0.12 -1.53 -0.14 0.00 0.02 0.00 0.00 55.97 54.44 2joz s LYS 65 Cb -0.01 -1.08 -0.04 0.00 -0.52 0.00 0.00 37.83 36.17 2joz s LYS 65 CO 0.02 0.18 0.31 0.08 -0.92 0.00 0.00 175.35 175.02 2joz s VAL 66 N -2.83 5.22 -0.13 3.17 1.01 -1.26 -0.30 120.40 125.28 2joz s VAL 66 Ca 0.20 0.43 -0.11 0.00 0.00 0.00 0.00 61.98 62.50 2joz s VAL 66 Cb -0.01 -3.64 -0.09 0.00 0.00 0.00 0.00 36.38 32.63 2joz s VAL 66 CO 0.06 0.19 0.20 0.40 0.00 0.00 0.00 175.10 175.94 2joz h ILE 67 N 5.38 0.57 -3.57 2.22 2.04 -0.50 -3.48 117.51 120.17 2joz h ILE 67 Ca -0.33 -1.48 -0.46 0.00 1.00 0.00 0.00 64.86 63.59 2joz h ILE 67 Cb 1.17 1.13 -0.19 0.00 -0.74 0.00 0.00 36.82 38.19 2joz h ILE 67 CO 0.61 0.19 -0.78 -0.44 0.00 0.00 0.00 178.15 177.74 2joz s SER 68 N -5.88 2.24 -0.03 1.72 0.01 -1.01 -4.97 113.70 105.77 2joz s SER 68 Ca -0.10 -0.79 -0.12 0.00 1.31 0.00 0.00 55.95 56.24 2joz s SER 68 Cb 0.00 -0.10 0.02 0.00 0.21 0.00 0.00 66.02 66.15 2joz s SER 68 CO 0.28 -0.08 0.27 -1.58 0.41 0.00 0.00 173.24 172.54 2joz s GLN 69 N -2.53 0.57 -0.02 12.44 0.74 -1.26 -0.85 119.66 128.74 2joz s GLN 69 Ca 0.10 -0.12 -0.08 0.00 0.05 0.00 0.00 55.36 55.31 2joz s GLN 69 Cb -0.06 0.25 0.01 0.00 1.10 0.00 0.00 33.01 34.31 2joz s GLN 69 CO 0.04 -0.14 0.16 0.45 -0.55 0.00 0.00 175.29 175.25 2joz s SER 70 N -1.05 -0.05 0.27 6.67 0.15 -0.91 -4.93 113.70 113.86 2joz s SER 70 Ca -0.11 -0.03 0.14 0.00 0.70 0.00 0.00 55.95 56.65 2joz s SER 70 Cb -0.05 0.26 0.20 0.00 -1.71 0.00 0.00 66.02 64.72 2joz s SER 70 CO 0.03 -0.30 1.50 0.71 1.20 0.00 0.00 173.24 176.39 2joz h THR 71 N 4.39 1.10 -0.81 6.45 1.35 -2.02 -3.40 112.91 119.98 2joz h THR 71 Ca -0.29 -2.28 -0.36 0.00 -0.55 0.00 0.00 66.41 62.93 2joz h THR 71 Cb 1.19 2.35 -0.24 0.00 -1.73 0.00 0.00 68.15 69.73 2joz h THR 71 CO 0.40 0.57 -0.74 -0.67 -0.25 0.00 0.00 175.52 174.84 2joz n ASP 72 N -3.38 -1.68 0.00 5.36 2.03 -1.26 -4.97 116.55 112.65 2joz n ASP 72 Ca 0.01 -3.06 0.00 0.00 0.52 0.00 0.00 54.79 52.26 2joz n ASP 72 Cb 0.71 0.85 0.00 0.00 -0.72 0.00 0.00 41.12 41.95 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 1.56 -1.43 3.30 0.27 0.00 -1.26 -5.11 105.19 102.52 2joz n GLY 73 Ca 0.14 0.59 -0.11 0.00 0.00 0.00 0.00 46.02 46.64 2joz n GLY 73 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2joz s SER 74 N 2.00 -0.20 -0.03 1.61 0.15 -1.26 -3.64 113.70 112.33 2joz s SER 74 Ca 0.00 -0.24 0.02 0.00 0.70 0.00 0.00 55.95 56.43 2joz s SER 74 Cb 0.00 0.43 0.01 0.00 -1.71 0.00 0.00 66.02 64.75 2joz s SER 74 CO 0.00 -0.76 -0.07 -0.63 1.20 0.00 0.00 173.24 172.98 2joz s ILE 75 N -3.26 0.65 -0.12 6.45 1.01 0.58 -2.13 121.20 124.38 2joz s ILE 75 Ca -0.00 -0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.39 2joz s ILE 75 Cb 0.01 -0.59 -0.00 0.00 0.01 0.00 0.00 42.46 41.88 2joz s ILE 75 CO -0.08 0.21 -0.19 -0.70 0.00 0.00 0.00 174.94 174.19 2joz s GLU 76 N 0.31 3.18 0.19 2.79 2.12 -0.03 0.62 118.70 127.88 2joz s GLU 76 Ca -0.04 -0.79 0.09 0.00 0.36 0.00 0.00 54.97 54.58 2joz s GLU 76 Cb -0.09 -2.48 -0.04 0.00 0.26 0.00 0.00 34.13 31.78 2joz s GLU 76 CO 0.00 0.14 -0.18 0.96 -0.54 0.00 0.00 175.26 175.64 2joz s ILE 77 N 0.49 1.93 0.02 -3.70 -4.36 0.47 0.30 121.20 116.35 2joz s ILE 77 Ca -0.13 -2.07 0.03 0.00 -0.26 0.00 0.00 60.65 58.22 2joz s ILE 77 Cb -0.17 -1.98 -0.01 0.00 1.25 0.00 0.00 42.46 41.55 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 -3.11 0.60 0.21 0.37 0.74 0.58 -0.75 119.66 118.31 2joz s GLN 78 Ca 0.20 -0.52 -0.07 0.00 0.05 0.00 0.00 55.36 55.02 2joz s GLN 78 Cb -0.04 -0.52 -0.06 0.00 1.10 0.00 0.00 33.01 33.49 2joz s GLN 78 CO 0.08 0.13 0.49 0.71 -0.55 0.00 0.00 175.29 176.14 2joz s TYR 79 N -0.72 3.45 0.31 1.67 2.02 -1.25 -0.35 117.35 122.49 2joz s TYR 79 Ca -0.02 0.70 0.06 0.00 -0.37 0.00 0.00 57.07 57.44 2joz s TYR 79 Cb -0.06 -2.13 -0.01 0.00 -0.40 0.00 0.00 41.96 39.35 2joz s TYR 79 CO 0.00 0.31 0.44 -0.51 -1.57 0.00 0.00 175.55 174.22 2joz s LEU 80 N -2.93 4.07 0.00 -1.29 1.43 -1.01 -3.01 118.68 115.94 2joz s LEU 80 Ca 0.44 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 2joz s LEU 80 Cb -0.11 -2.79 0.00 0.00 0.03 0.00 0.00 46.19 43.31 2joz s LEU 80 CO 0.24 -0.33 0.00 0.61 0.23 0.00 0.00 176.35 177.10 2joz n GLY 81 N -1.58 -0.58 0.00 -3.19 0.00 -1.26 -3.93 105.19 94.65 2joz n GLY 81 Ca -0.03 -1.56 0.04 0.00 0.00 0.00 0.00 46.02 44.47 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 0.08 -0.22 1.61 -0.04 -1.26 -1.14 135.00 134.03 2joz n PRO 82 Ca 0.00 0.25 0.07 0.00 -0.04 0.00 0.00 63.50 63.78 2joz n PRO 82 Cb 0.00 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.15 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 -1.33 0.58 -0.54 0.54 4.01 -1.25 -4.91 117.16 114.25 2joz n TYR 83 Ca 0.03 -0.29 -0.28 0.00 -0.16 0.00 0.00 57.90 57.20 2joz n TYR 83 Cb 0.06 -0.00 0.26 0.00 -0.31 0.00 0.00 39.34 39.35 2joz n TYR 83 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 2joz s TYR 84 N -1.43 1.29 0.00 -0.72 1.13 -0.29 -2.81 117.35 114.52 2joz s TYR 84 Ca 0.29 1.12 0.00 0.00 -1.41 0.00 0.00 57.07 57.07 2joz s TYR 84 Cb 0.15 -3.08 0.00 0.00 -1.10 0.00 0.00 41.96 37.93 2joz s TYR 84 CO 0.19 -3.98 0.00 -2.30 -2.51 0.00 0.00 175.55 166.95 2joz n PRO 85 N -4.99 0.00 -2.28 -3.49 -0.02 -1.26 -4.82 135.00 118.13 2joz n PRO 85 Ca 0.03 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.10 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 3.36 0.46 2.45 2.96 -1.12 -4.97 118.68 121.82 2joz s LEU 86 Ca 0.00 0.33 0.06 0.00 -0.22 0.00 0.00 54.13 54.30 2joz s LEU 86 Cb 0.00 -2.92 -0.02 0.00 0.50 0.00 0.00 46.19 43.74 2joz s LEU 86 CO 0.00 -1.88 0.22 -1.59 -1.32 0.00 0.00 176.35 171.78 2joz s LYS 87 N 5.91 2.24 0.03 1.98 -2.85 -1.26 -3.90 119.74 121.89 2joz s LYS 87 Ca 0.57 -1.96 0.01 0.00 -1.00 0.00 0.00 55.97 53.59 2joz s LYS 87 Cb -0.12 -1.97 -0.02 0.00 -2.06 0.00 0.00 37.83 33.66 2joz s LYS 87 CO 0.24 -0.29 -0.05 0.45 0.10 0.00 0.00 175.35 175.80 2joz s SER 88 N -4.01 0.45 0.03 0.03 0.15 0.07 -3.11 113.70 107.31 2joz s SER 88 Ca 0.35 -0.48 0.08 0.00 0.70 0.00 0.00 55.95 56.59 2joz s SER 88 Cb 0.02 0.07 -0.02 0.00 -1.71 0.00 0.00 66.02 64.37 2joz s SER 88 CO 0.20 -0.24 -0.24 -0.89 1.20 0.00 0.00 173.24 173.27 2joz s THR 89 N -1.33 1.89 -0.08 6.45 2.01 0.16 -0.39 115.64 124.35 2joz s THR 89 Ca -0.13 -1.22 0.04 0.00 0.31 0.00 0.00 61.69 60.70 2joz s THR 89 Cb -0.09 -1.61 -0.00 0.00 0.01 0.00 0.00 72.50 70.80 2joz s THR 89 CO -0.00 0.35 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.30 2joz s LEU 90 N -1.03 2.01 0.09 4.42 1.43 0.20 0.64 118.68 126.45 2joz s LEU 90 Ca 0.10 -0.50 0.03 0.00 -1.03 0.00 0.00 54.13 52.73 2joz s LEU 90 Cb -0.09 -1.29 -0.04 0.00 0.03 0.00 0.00 46.19 44.81 2joz s LEU 90 CO 0.01 0.16 -0.08 -0.54 0.23 0.00 0.00 176.35 176.13 2joz s LYS 91 N 0.23 0.78 0.38 1.70 1.02 -0.05 -0.30 119.74 123.50 2joz s LYS 91 Ca -0.13 -1.14 -0.25 0.00 0.02 0.00 0.00 55.97 54.47 2joz s LYS 91 Cb -0.16 -0.37 -0.09 0.00 -0.52 0.00 0.00 37.83 36.69 2joz s LYS 91 CO 0.06 0.04 1.08 -0.98 -0.92 0.00 0.00 175.35 174.64 2joz s ARG 92 N -2.91 4.21 0.05 1.68 1.70 -1.24 -0.21 118.95 122.24 2joz s ARG 92 Ca 0.05 1.62 0.09 0.00 -0.47 0.00 0.00 55.73 57.01 2joz s ARG 92 Cb -0.01 -2.67 -0.03 0.00 -0.57 0.00 0.00 34.95 31.66 2joz s ARG 92 CO -0.02 -0.12 -0.23 0.20 -1.08 0.00 0.00 175.30 174.05 2joz s GLY 93 N -1.37 1.50 0.73 3.88 0.00 0.69 -4.61 107.32 108.13 2joz s GLY 93 Ca 0.56 -1.26 -0.12 0.00 0.00 0.00 0.00 44.72 43.89 2joz s GLY 93 CO 0.32 -1.16 1.09 -0.54 0.00 0.00 0.00 173.10 172.81 2joz s GLU 94 N -1.43 2.49 -0.39 2.90 0.41 -1.26 -1.89 118.70 119.53 2joz s GLU 94 Ca 0.13 1.20 0.00 0.00 -0.41 0.00 0.00 54.97 55.90 2joz s GLU 94 Cb -0.10 -1.92 0.00 0.00 -1.78 0.00 0.00 34.13 30.33 2joz s GLU 94 CO 0.04 -1.47 0.00 0.09 -0.49 0.00 0.00 175.26 173.43 2joz n ASN 95 N -3.17 -4.74 -0.93 -0.19 3.02 -1.26 -3.53 115.26 104.46 2joz n ASN 95 Ca 0.09 0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 2joz n ASN 95 Cb 0.53 -2.57 0.00 0.00 -0.61 0.00 0.00 39.78 37.13 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 -0.81 0.74 3.44 7.41 0.00 -1.19 -5.11 105.19 109.67 2joz n GLY 96 Ca -0.04 -0.40 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.60 0.80 -0.05 2.61 -4.23 -0.79 -4.53 115.64 106.85 2joz s THR 97 Ca 0.00 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.54 2joz s THR 97 Cb 0.00 -2.59 0.01 0.00 1.34 0.00 0.00 72.50 71.25 2joz s THR 97 CO 0.00 0.00 -0.12 -0.22 -0.54 0.00 0.00 174.62 173.74 2joz s LEU 98 N -3.48 1.75 -0.36 4.79 2.96 -0.72 -0.23 118.68 123.39 2joz s LEU 98 Ca 0.32 -0.27 -0.15 0.00 -0.22 0.00 0.00 54.13 53.82 2joz s LEU 98 Cb 0.06 -0.77 -0.01 0.00 0.50 0.00 0.00 46.19 45.98 2joz s LEU 98 CO 0.15 0.07 0.32 -0.63 -1.32 0.00 0.00 176.35 174.95 2joz s ILE 99 N 0.35 5.21 -0.34 6.68 1.01 0.70 -0.65 121.20 134.17 2joz s ILE 99 Ca -0.08 -0.16 -0.11 0.00 0.00 0.00 0.00 60.65 60.31 2joz s ILE 99 Cb -0.12 -3.82 0.01 0.00 0.01 0.00 0.00 42.46 38.53 2joz s ILE 99 CO 0.02 -0.12 0.19 0.86 0.00 0.00 0.00 174.94 175.88 2joz s TRP 100 N 1.89 3.21 -0.11 3.97 -0.00 0.66 -0.87 118.94 127.69 2joz s TRP 100 Ca 0.09 -0.68 -0.05 0.00 -0.00 0.00 0.00 56.10 55.46 2joz s TRP 100 Cb -0.17 -2.40 -0.04 0.00 -0.00 0.00 0.00 33.47 30.86 2joz s TRP 100 CO 0.11 -0.52 0.07 -1.21 -0.00 0.00 0.00 176.95 175.41 2joz s GLU 101 N 1.60 3.30 -0.11 5.86 2.02 0.21 0.57 118.70 132.15 2joz s GLU 101 Ca 0.04 -0.27 -0.04 0.00 0.02 0.00 0.00 54.97 54.72 2joz s GLU 101 Cb -0.18 -3.02 0.06 0.00 0.10 0.00 0.00 34.13 31.08 2joz s GLU 101 CO 0.07 0.70 0.23 -1.14 0.02 0.00 0.00 175.26 175.14 2joz s GLN 102 N -0.83 0.13 0.00 1.61 0.74 0.76 0.37 119.66 122.45 2joz s GLN 102 Ca 0.13 0.66 0.00 0.00 0.05 0.00 0.00 55.36 56.20 2joz s GLN 102 Cb -0.12 -0.10 0.00 0.00 1.10 0.00 0.00 33.01 33.89 2joz s GLN 102 CO 0.03 -0.26 0.00 0.09 -0.55 0.00 0.00 175.29 174.60 2joz n ASN 103 N 5.09 -4.36 0.00 6.67 5.03 -1.18 -1.69 115.26 124.82 2joz n ASN 103 Ca -0.10 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.35 2joz n ASN 103 Cb 0.50 -2.31 0.00 0.00 -1.02 0.00 0.00 39.78 36.95 2joz n ASN 103 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2joz n GLY 104 N -0.63 1.77 3.76 7.41 0.00 -1.26 -5.09 105.19 111.16 2joz n GLY 104 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.40 4.18 -0.23 1.61 -0.21 -0.68 -5.06 119.66 118.86 2joz s GLN 105 Ca 0.00 0.36 -0.09 0.00 0.02 0.00 0.00 55.36 55.65 2joz s GLN 105 Cb 0.00 -3.36 -0.04 0.00 1.00 0.00 0.00 33.01 30.61 2joz s GLN 105 CO 0.00 0.36 0.12 -0.98 -2.12 0.00 0.00 175.29 172.66 2joz s ARG 106 N 0.01 3.93 -0.13 2.91 1.70 -1.26 -0.17 118.95 125.94 2joz s ARG 106 Ca 0.23 -0.35 -0.01 0.00 -0.47 0.00 0.00 55.73 55.13 2joz s ARG 106 Cb -0.15 -3.42 -0.02 0.00 -0.57 0.00 0.00 34.95 30.79 2joz s ARG 106 CO 0.10 0.02 -0.10 0.21 -1.08 0.00 0.00 175.30 174.45 2joz s LYS 107 N 1.12 3.45 -0.28 3.89 2.47 0.19 -4.95 119.74 125.64 2joz s LYS 107 Ca 0.06 -0.63 -0.17 0.00 -1.56 0.00 0.00 55.97 53.67 2joz s LYS 107 Cb -0.14 -2.72 -0.03 0.00 -1.46 0.00 0.00 37.83 33.49 2joz s LYS 107 CO 0.04 0.24 0.49 0.99 0.16 0.00 0.00 175.35 177.28 2joz s THR 108 N 0.30 5.08 0.06 3.43 2.01 -1.26 -0.25 115.64 125.01 2joz s THR 108 Ca -0.08 0.75 0.04 0.00 0.31 0.00 0.00 61.69 62.71 2joz s THR 108 Cb -0.15 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 2joz s THR 108 CO 0.05 0.05 -0.01 -0.04 -0.69 0.00 0.00 174.62 173.98 2joz s MET 109 N 2.28 2.61 0.23 4.92 -1.94 0.18 -4.77 119.30 122.80 2joz s MET 109 Ca 0.20 -0.77 0.10 0.00 -1.71 0.00 0.00 55.69 53.51 2joz s MET 109 Cb -0.16 -2.57 -0.04 0.00 2.01 0.00 0.00 34.83 34.07 2joz s MET 109 CO 0.10 0.57 -0.11 0.99 -0.01 0.00 0.00 175.02 176.55 2joz s THR 110 N -1.23 2.98 0.11 2.05 2.01 0.10 -1.75 115.64 119.91 2joz s THR 110 Ca 0.23 -1.96 -0.30 0.00 0.31 0.00 0.00 61.69 59.97 2joz s THR 110 Cb -0.12 -2.53 -0.06 0.00 0.01 0.00 0.00 72.50 69.80 2joz s THR 110 CO 0.15 -0.26 1.09 -0.60 -0.69 0.00 0.00 174.62 174.32 2joz s ARG 111 N -3.21 4.56 0.57 4.92 3.52 -1.26 -0.01 118.95 128.04 2joz s ARG 111 Ca 0.27 1.65 -0.18 0.00 -0.13 0.00 0.00 55.73 57.34 2joz s ARG 111 Cb -0.07 -3.34 -0.04 0.00 -1.56 0.00 0.00 34.95 29.94 2joz s ARG 111 CO 0.16 -0.01 1.10 0.42 -0.81 0.00 0.00 175.30 176.15 2joz s ILE 112 N 0.33 3.38 0.67 4.11 1.01 -1.05 -4.80 121.20 124.85 2joz s ILE 112 Ca 0.52 0.77 -0.16 0.00 0.00 0.00 0.00 60.65 61.77 2joz s ILE 112 Cb -0.27 -3.28 0.01 0.00 0.01 0.00 0.00 42.46 38.93 2joz s ILE 112 CO 0.32 -0.27 1.20 -1.83 0.00 0.00 0.00 174.94 174.35 2joz s GLU 113 N -3.61 2.50 -0.53 2.79 -1.05 -1.26 -4.95 118.70 112.58 2joz s GLU 113 Ca 0.69 1.76 -0.24 0.00 -0.15 0.00 0.00 54.97 57.03 2joz s GLU 113 Cb -0.21 -1.88 0.04 0.00 -0.44 0.00 0.00 34.13 31.65 2joz s GLU 113 CO 0.31 -1.56 0.91 -1.12 0.95 0.00 0.00 175.26 174.75 2joz s SER 114 N -1.91 6.35 -0.07 0.83 0.01 -1.26 -5.02 113.70 112.62 2joz s SER 114 Ca 0.75 -0.33 -0.04 0.00 1.31 0.00 0.00 55.95 57.64 2joz s SER 114 Cb -0.29 -2.42 -0.04 0.00 0.21 0.00 0.00 66.02 63.48 2joz s SER 114 CO 0.41 -1.16 0.11 -0.54 0.41 0.00 0.00 173.24 172.46 2joz s LYS 115 N 3.79 3.28 -0.42 12.44 1.02 -1.26 -5.05 119.74 133.53 2joz s LYS 115 Ca 0.30 -0.29 0.03 0.00 0.02 0.00 0.00 55.97 56.03 2joz s LYS 115 Cb -0.13 -3.03 0.16 0.00 -0.52 0.00 0.00 37.83 34.31 2joz s LYS 115 CO 0.20 0.72 0.32 0.99 -0.92 0.00 0.00 175.35 176.65 2joz s THR 116 N -1.08 0.56 -0.24 2.17 2.01 -1.26 -5.11 115.64 112.69 2joz s THR 116 Ca 0.18 -2.56 -0.07 0.00 0.31 0.00 0.00 61.69 59.55 2joz s THR 116 Cb -0.12 -1.40 -0.03 0.00 0.01 0.00 0.00 72.50 70.97 2joz s THR 116 CO 0.08 -1.14 0.06 -0.83 -0.69 0.00 0.00 174.62 172.10 2joz s GLY 117 N 0.19 1.77 -0.68 4.40 0.00 -1.26 -5.05 107.32 106.68 2joz s GLY 117 Ca 0.28 -1.08 -0.17 0.00 0.00 0.00 0.00 44.72 43.75 2joz s GLY 117 CO -0.14 0.45 0.72 -1.60 0.00 0.00 0.00 173.10 172.54 2joz s ARG 118 N 1.43 3.24 -0.28 2.90 3.52 -1.26 -4.94 118.95 123.57 2joz s ARG 118 Ca 0.05 -1.76 0.01 0.00 -0.13 0.00 0.00 55.73 53.90 2joz s ARG 118 Cb -0.15 -4.39 0.16 0.00 -1.56 0.00 0.00 34.95 29.01 2joz s ARG 118 CO 0.03 -1.46 0.45 -2.00 -0.81 0.00 0.00 175.30 171.51 2joz s GLU 119 N 1.78 0.43 0.62 5.12 2.12 -1.26 -5.15 118.70 122.36 2joz s GLU 119 Ca 0.14 0.39 -0.16 0.00 0.36 0.00 0.00 54.97 55.70 2joz s GLU 119 Cb -0.20 -0.18 -0.02 0.00 0.26 0.00 0.00 34.13 33.99 2joz s GLU 119 CO -0.00 -0.89 1.09 -2.00 -0.54 0.00 0.00 175.26 172.92 2joz s GLU 120 N 2.62 3.06 -0.28 4.30 2.12 -1.26 -4.87 118.70 124.39 2joz s GLU 120 Ca 0.12 1.33 -0.40 0.00 0.36 0.00 0.00 54.97 56.38 2joz s GLU 120 Cb -0.13 -1.99 -0.15 0.00 0.26 0.00 0.00 34.13 32.12 2joz s GLU 120 CO -0.25 -1.04 1.80 1.17 -0.54 0.00 0.00 175.26 176.40 2joz n LYS 121 N -2.16 1.18 -3.97 4.30 4.81 -1.26 -4.95 118.16 116.11 2joz n LYS 121 Ca 0.10 0.43 -0.35 0.00 -0.87 0.00 0.00 58.31 57.61 2joz n LYS 121 Cb 0.52 -2.15 -0.08 0.00 0.02 0.00 0.00 35.03 33.34 2joz n LYS 121 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2joz s ASP 122 N 3.92 5.89 -0.37 3.14 2.15 -1.26 -5.07 116.67 125.07 2joz s ASP 122 Ca 0.99 0.22 -0.23 0.00 0.43 0.00 0.00 52.55 53.97 2joz s ASP 122 Cb -1.05 -1.95 0.01 0.00 -0.30 0.00 0.00 42.92 39.64 2joz s ASP 122 CO 0.64 0.27 0.79 -1.83 -0.17 0.00 0.00 175.17 174.87 2joz s GLU 123 N -0.19 3.73 -0.20 4.34 -1.05 -1.26 -5.00 118.70 119.07 2joz s GLU 123 Ca 0.09 0.30 -0.04 0.00 -0.15 0.00 0.00 54.97 55.16 2joz s GLU 123 Cb -0.12 -3.82 0.08 0.00 -0.44 0.00 0.00 34.13 29.83 2joz s GLU 123 CO 0.01 -0.88 0.13 0.21 0.95 0.00 0.00 175.26 175.69 2joz s LYS 124 N 3.14 0.12 -0.51 -4.83 2.47 -1.26 -5.10 119.74 113.78 2joz s LYS 124 Ca 0.32 -0.10 -0.16 0.00 -1.56 0.00 0.00 55.97 54.46 2joz s LYS 124 Cb -0.13 -1.54 0.09 0.00 -1.46 0.00 0.00 37.83 34.79 2joz s LYS 124 CO 0.17 -0.74 0.49 -1.54 0.16 0.00 0.00 175.35 173.89 2joz s SER 125 N 2.18 6.17 0.22 1.43 1.04 -1.26 -5.06 113.70 118.42 2joz s SER 125 Ca 0.05 -1.43 -0.14 0.00 0.48 0.00 0.00 55.95 54.91 2joz s SER 125 Cb -0.16 -2.22 -0.08 0.00 0.10 0.00 0.00 66.02 63.67 2joz s SER 125 CO -0.15 -0.79 0.61 -0.75 0.98 0.00 0.00 173.24 173.14 2joz s LYS 126 N 1.87 3.98 0.34 4.02 2.20 -1.26 -5.03 119.74 125.85 2joz s LYS 126 Ca 0.06 0.52 -0.29 0.00 -0.36 0.00 0.00 55.97 55.90 2joz s LYS 126 Cb -0.25 -2.75 -0.11 0.00 -1.51 0.00 0.00 37.83 33.21 2joz s LYS 126 CO 0.06 0.36 1.50 0.43 -0.36 0.00 0.00 175.35 177.34 2joz n SER 127 N 0.30 3.67 -1.67 1.43 7.64 -1.26 -4.88 113.62 118.85 2joz n SER 127 Ca -0.01 1.19 -0.10 0.00 1.01 0.00 0.00 58.87 60.96 2joz n SER 127 Cb 0.52 -1.59 0.03 0.00 -1.01 0.00 0.00 64.21 62.16 2joz n SER 127 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2joz n LEU 128 N 1.14 5.64 -4.26 -3.43 4.77 -1.26 -4.79 117.00 114.81 2joz n LEU 128 Ca 0.05 -2.80 -0.29 0.00 -0.03 0.00 0.00 56.01 52.94 2joz n LEU 128 Cb 0.37 -0.97 -0.16 0.00 -2.33 0.00 0.00 43.42 40.33 2joz n LEU 128 CO 0.64 1.04 -0.55 -1.83 -1.33 0.00 0.00 177.39 175.36 2joz s GLU 129 N -1.14 1.89 -1.35 3.23 -1.05 -1.26 -5.03 118.70 113.98 2joz s GLU 129 Ca 0.19 -0.83 -0.12 0.00 -0.15 0.00 0.00 54.97 54.07 2joz s GLU 129 Cb 0.16 -1.82 -0.05 0.00 -0.44 0.00 0.00 34.13 31.98 2joz s GLU 129 CO 0.01 0.49 2.48 -2.39 0.95 0.00 0.00 175.26 176.79 2joz n HIS 130 N 2.52 2.49 -2.63 4.83 -0.00 -1.26 -4.87 115.22 116.31 2joz n HIS 130 Ca -0.16 -2.71 -0.42 0.00 -0.00 0.00 0.00 57.72 54.43 2joz n HIS 130 Cb 0.52 -2.28 -0.03 0.00 -0.00 0.00 0.00 29.99 28.21 2joz n HIS 130 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2joz s HIS 131 N 3.03 2.61 -0.14 -1.40 5.04 -1.26 -4.98 115.29 118.19 2joz s HIS 131 Ca 0.56 0.29 -0.03 0.00 -1.54 0.00 0.00 55.06 54.34 2joz s HIS 131 Cb 0.15 -4.45 0.05 0.00 0.04 0.00 0.00 32.58 28.37 2joz s HIS 131 CO -0.04 -1.59 0.06 -3.38 -2.34 0.00 0.00 174.74 167.45 2joz s HIS 132 N 4.83 0.48 -0.03 3.88 -3.43 -1.26 -5.12 115.29 114.64 2joz s HIS 132 Ca 0.40 -0.35 0.01 0.00 -0.80 0.00 0.00 55.06 54.32 2joz s HIS 132 Cb -0.08 -0.77 0.02 0.00 -1.43 0.00 0.00 32.58 30.32 2joz s HIS 132 CO 0.23 -0.46 -0.03 -1.01 -2.00 0.00 0.00 174.74 171.47 2joz s HIS 133 N 2.04 0.57 0.25 0.38 3.76 -1.26 -5.15 115.29 115.88 2joz s HIS 133 Ca 0.02 -0.12 0.03 0.00 -0.15 0.00 0.00 55.06 54.84 2joz s HIS 133 Cb -0.15 -0.52 -0.05 0.00 1.11 0.00 0.00 32.58 32.97 2joz s HIS 133 CO -0.07 -0.13 0.03 -1.01 -0.85 0.00 0.00 174.74 172.71 2joz s HIS 134 N 0.73 1.59 -0.33 1.40 3.76 -1.26 -5.35 115.29 115.84 2joz s HIS 134 Ca -0.09 -1.00 0.03 0.00 -0.15 0.00 0.00 55.06 53.85 2joz s HIS 134 Cb -0.12 -0.95 0.02 0.00 1.11 0.00 0.00 32.58 32.64 2joz s HIS 134 CO -0.00 -0.12 0.58 0.72 -0.85 0.00 0.00 174.74 175.07