#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2joz n ILE 2 N 0.00 -8.64 -3.89 2.02 5.41 -1.26 -5.07 119.36 107.93 2joz n ILE 2 Ca 0.00 1.48 -0.25 0.00 1.00 0.00 0.00 62.75 64.98 2joz n ILE 2 Cb 0.00 -5.49 -0.17 0.00 -0.71 0.00 0.00 39.64 33.27 2joz n ILE 2 CO 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 176.55 176.51 2joz s MET 3 N -0.86 1.24 -0.04 0.38 -1.94 -1.26 -5.14 119.30 111.68 2joz s MET 3 Ca -0.11 -0.15 -0.02 0.00 -1.71 0.00 0.00 55.69 53.69 2joz s MET 3 Cb 0.01 -1.38 -0.04 0.00 2.01 0.00 0.00 34.83 35.43 2joz s MET 3 CO 0.48 -0.26 0.09 0.14 -0.01 0.00 0.00 175.02 175.46 2joz s VAL 4 N 1.73 4.92 -2.58 -6.03 -7.23 -1.26 -4.99 120.40 104.96 2joz s VAL 4 Ca 0.04 -0.21 0.21 0.00 -1.81 0.00 0.00 61.98 60.21 2joz s VAL 4 Cb -0.13 -3.20 0.19 0.00 0.56 0.00 0.00 36.38 33.80 2joz s VAL 4 CO -0.07 0.45 1.19 -0.24 -0.31 0.00 0.00 175.10 176.12 2joz n SER 5 N 1.49 2.82 -3.50 4.85 2.88 -1.26 -4.68 113.62 116.22 2joz n SER 5 Ca -0.15 -1.89 -0.39 0.00 -1.33 0.00 0.00 58.87 55.11 2joz n SER 5 Cb 0.53 -0.03 -0.02 0.00 -0.75 0.00 0.00 64.21 63.95 2joz n SER 5 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2joz n GLY 6 N 1.20 4.17 3.85 0.46 0.00 -1.26 -4.94 105.19 108.67 2joz n GLY 6 Ca 0.13 -1.49 -0.32 0.00 0.00 0.00 0.00 46.02 44.34 2joz n GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2joz n GLN 8 N -0.71 2.57 -2.69 0.00 6.02 -1.26 -4.92 117.38 116.39 2joz n GLN 8 Ca 0.04 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.91 2joz n GLN 8 Cb 0.53 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.82 2joz n GLN 8 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2joz n GLN 9 N 0.00 -2.66 -1.88 -1.09 6.02 -1.26 -4.95 117.38 111.56 2joz n GLN 9 Ca 0.00 0.45 -0.42 0.00 -0.01 0.00 0.00 57.00 57.02 2joz n GLN 9 Cb 0.00 -4.35 -0.03 0.00 1.02 0.00 0.00 30.24 26.88 2joz n GLN 9 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 2joz s GLN 10 N -5.18 4.18 0.04 -1.09 -2.07 -1.26 -4.89 119.66 109.39 2joz s GLN 10 Ca 0.17 2.37 0.03 0.00 -1.82 0.00 0.00 55.36 56.11 2joz s GLN 10 Cb -0.08 -3.81 -0.25 0.00 -1.09 0.00 0.00 33.01 27.79 2joz s GLN 10 CO 0.21 -0.82 1.00 1.57 -1.32 0.00 0.00 175.29 175.94 2joz h LYS 11 N 9.11 0.12 -5.92 9.60 2.10 -2.05 -3.48 116.57 126.05 2joz h LYS 11 Ca -0.43 -0.20 -0.33 0.00 -2.00 0.00 0.00 60.65 57.68 2joz h LYS 11 Cb 1.20 0.08 0.11 0.00 -0.90 0.00 0.00 32.23 32.72 2joz h LYS 11 CO 0.94 0.97 -0.82 0.39 -2.00 0.00 0.00 179.45 178.93 2joz n GLU 12 N -3.35 -1.55 -4.41 0.07 4.71 -1.26 -5.03 120.64 109.82 2joz n GLU 12 Ca -0.10 0.71 -0.20 0.00 -0.01 0.00 0.00 57.16 57.56 2joz n GLU 12 Cb 1.01 -4.73 -0.10 0.00 -1.01 0.00 0.00 31.44 26.61 2joz n GLU 12 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 2joz s GLU 13 N -5.11 1.63 0.11 3.49 2.56 -1.26 -5.08 118.70 115.04 2joz s GLU 13 Ca 0.40 -1.93 0.00 0.00 0.00 0.00 0.00 54.97 53.44 2joz s GLU 13 Cb -0.11 -0.50 0.00 0.00 2.00 0.00 0.00 34.13 35.52 2joz s GLU 13 CO 0.81 -0.33 0.00 2.41 -0.56 0.00 0.00 175.26 177.59 2joz n THR 14 N -0.65 -4.88 -1.71 -1.70 -1.04 -1.26 -4.86 114.28 98.18 2joz n THR 14 Ca -0.02 1.19 -0.56 0.00 -2.04 0.00 0.00 64.05 62.62 2joz n THR 14 Cb 0.66 -2.75 -0.07 0.00 -1.82 0.00 0.00 70.33 66.36 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 0.36 1.36 0.12 -2.82 -0.04 -1.26 -4.84 135.00 127.89 2joz n PRO 15 Ca 0.00 0.50 0.11 0.00 -0.04 0.00 0.00 63.50 64.07 2joz n PRO 15 Cb 0.00 -2.22 0.48 0.00 -0.04 0.00 0.00 33.50 31.72 2joz n PRO 15 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2joz n PHE 16 N 5.64 0.74 0.85 0.54 -1.74 -1.26 -2.09 117.46 120.14 2joz n PHE 16 Ca 0.26 0.29 0.11 0.00 -0.56 0.00 0.00 57.45 57.54 2joz n PHE 16 Cb 0.16 -0.97 -0.06 0.00 1.52 0.00 0.00 39.48 40.13 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 -2.17 0.03 -3.06 2.97 4.11 -1.26 -4.77 117.16 113.01 2joz n TYR 17 Ca 0.02 0.01 -0.39 0.00 -0.00 0.00 0.00 57.90 57.53 2joz n TYR 17 Cb 0.22 -0.13 -0.05 0.00 -0.00 0.00 0.00 39.34 39.37 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 -3.08 3.75 -2.98 -3.48 5.04 -0.89 -4.58 117.35 111.14 2joz s TYR 18 Ca 0.06 1.41 0.00 0.00 -2.44 0.00 0.00 57.07 56.10 2joz s TYR 18 Cb 0.16 -2.74 0.00 0.00 0.35 0.00 0.00 41.96 39.73 2joz s TYR 18 CO 0.84 0.35 0.00 0.41 -1.34 0.00 0.00 175.55 175.81 2joz n GLY 19 N 2.26 0.70 3.63 8.97 0.00 -1.25 -4.96 105.19 114.53 2joz n GLY 19 Ca -0.05 -2.07 -0.34 0.00 0.00 0.00 0.00 46.02 43.56 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 -1.30 4.73 -0.05 2.61 2.01 -1.26 -2.22 115.64 120.16 2joz s THR 20 Ca 0.00 -0.06 0.06 0.00 0.31 0.00 0.00 61.69 62.00 2joz s THR 20 Cb 0.00 -3.13 -0.01 0.00 0.01 0.00 0.00 72.50 69.37 2joz s THR 20 CO 0.00 0.46 -0.25 0.26 -0.69 0.00 0.00 174.62 174.41 2joz s TRP 21 N 0.36 2.37 -0.04 4.92 0.52 0.17 -1.68 118.94 125.57 2joz s TRP 21 Ca 0.03 -0.68 -0.13 0.00 0.02 0.00 0.00 56.10 55.33 2joz s TRP 21 Cb -0.12 -1.56 -0.05 0.00 -1.15 0.00 0.00 33.47 30.59 2joz s TRP 21 CO 0.00 -0.20 0.35 0.34 0.02 0.00 0.00 176.95 177.47 2joz s ASP 22 N -0.20 6.70 0.26 2.95 2.15 0.80 -0.35 116.67 128.98 2joz s ASP 22 Ca -0.02 0.84 -0.02 0.00 0.43 0.00 0.00 52.55 53.78 2joz s ASP 22 Cb -0.13 -2.21 0.54 0.00 -0.30 0.00 0.00 42.92 40.82 2joz s ASP 22 CO 0.03 0.32 1.72 -0.33 -0.17 0.00 0.00 175.17 176.74 2joz h GLU 23 N 4.94 0.42 0.00 4.34 5.08 -1.82 0.49 114.58 128.03 2joz h GLU 23 Ca -0.51 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 2joz h GLU 23 Cb 1.22 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2joz h GLU 23 CO 0.62 0.28 0.00 0.41 -1.00 0.00 0.00 179.01 179.32 2joz n GLY 24 N -1.33 1.16 3.72 -3.84 0.00 -1.26 -3.73 105.19 99.91 2joz n GLY 24 Ca 0.17 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 3.04 0.42 1.61 6.06 -1.22 -4.97 118.95 123.89 2joz s ARG 25 Ca 0.00 -0.40 0.00 0.00 -2.50 0.00 0.00 55.73 52.83 2joz s ARG 25 Cb 0.00 -2.84 0.00 0.00 0.06 0.00 0.00 34.95 32.17 2joz s ARG 25 CO 0.00 0.70 0.00 0.00 -2.50 0.00 0.00 175.30 173.50 2joz n ALA 26 N 1.91 -1.77 -1.91 6.12 0.00 -1.26 -4.88 120.51 118.71 2joz n ALA 26 Ca -0.18 0.35 -0.28 0.00 0.00 0.00 0.00 53.44 53.34 2joz n ALA 26 Cb 0.54 -1.21 0.10 0.00 0.00 0.00 0.00 19.45 18.87 2joz n ALA 26 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2joz s PRO 27 N -4.49 1.85 0.00 0.00 0.02 -1.26 -5.01 135.00 126.11 2joz s PRO 27 Ca 0.00 -0.06 0.00 0.00 0.02 0.00 0.00 61.00 60.96 2joz s PRO 27 Cb 0.00 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.53 2joz s PRO 27 CO 0.00 -1.61 0.00 0.41 -0.33 0.00 0.00 177.00 175.47 2joz n GLY 28 N -3.27 0.99 0.25 0.52 0.00 0.41 -4.96 105.19 99.13 2joz n GLY 28 Ca 0.09 -1.76 0.05 0.00 0.00 0.00 0.00 46.02 44.40 2joz n GLY 28 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2joz h PRO 29 N 0.00 0.13 0.00 1.61 0.13 -1.81 -3.46 132.00 128.60 2joz h PRO 29 Ca 0.00 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2joz h PRO 29 Cb 0.00 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.10 2joz h PRO 29 CO 0.00 0.18 0.00 2.41 -0.23 0.00 0.00 178.00 180.36 2joz n THR 30 N -4.42 0.00 -0.02 1.56 -1.04 -0.64 -4.81 114.28 104.92 2joz n THR 30 Ca -0.01 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.90 2joz n THR 30 Cb 0.16 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.64 2joz n THR 30 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2joz h ASP 31 N 0.00 -0.97 0.00 8.00 3.32 -2.00 -3.43 116.42 121.34 2joz h ASP 31 Ca 0.00 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2joz h ASP 31 Cb 0.00 0.42 0.00 0.00 0.22 0.00 0.00 39.33 39.97 2joz h ASP 31 CO 0.00 -0.34 0.00 0.61 -1.72 0.00 0.00 179.24 177.79 2joz n GLY 32 N -1.40 -0.00 3.73 2.75 0.00 -1.26 -5.08 105.19 103.92 2joz n GLY 32 Ca -0.02 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.31 4.21 -0.10 1.61 1.01 -1.26 -3.16 120.40 121.41 2joz s VAL 33 Ca 0.00 1.80 0.09 0.00 0.00 0.00 0.00 61.98 63.87 2joz s VAL 33 Cb 0.00 -4.15 -0.24 0.00 0.00 0.00 0.00 36.38 32.00 2joz s VAL 33 CO 0.00 0.26 0.44 0.29 0.00 0.00 0.00 175.10 176.09 2joz n LYS 34 N 2.88 0.67 -3.63 2.72 5.02 -0.40 -1.62 118.16 123.80 2joz n LYS 34 Ca 0.04 0.22 -0.05 0.00 -2.02 0.00 0.00 58.31 56.50 2joz n LYS 34 Cb 0.48 -1.71 -0.02 0.00 -0.02 0.00 0.00 35.03 33.76 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 -6.18 -0.24 0.09 4.39 0.01 -1.26 -0.44 113.70 110.07 2joz s SER 35 Ca -0.11 -0.20 0.09 0.00 1.31 0.00 0.00 55.95 57.05 2joz s SER 35 Cb 0.07 0.41 -0.03 0.00 0.21 0.00 0.00 66.02 66.68 2joz s SER 35 CO 0.80 -0.71 -0.24 0.00 0.41 0.00 0.00 173.24 173.50 2joz s ALA 36 N -3.12 2.12 -0.03 1.44 0.00 -1.26 -1.60 121.76 119.31 2joz s ALA 36 Ca 0.09 -1.31 0.06 0.00 0.00 0.00 0.00 51.96 50.81 2joz s ALA 36 Cb -0.01 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 2joz s ALA 36 CO -0.03 0.47 -0.22 0.95 0.00 0.00 0.00 175.76 176.93 2joz s THR 37 N -0.99 2.38 -0.03 0.00 -4.23 0.60 -2.83 115.64 110.53 2joz s THR 37 Ca 0.11 -0.98 0.06 0.00 -1.18 0.00 0.00 61.69 59.69 2joz s THR 37 Cb -0.10 -1.86 -0.01 0.00 1.34 0.00 0.00 72.50 71.87 2joz s THR 37 CO 0.04 0.58 -0.21 0.54 -0.54 0.00 0.00 174.62 175.03 2joz s VAL 38 N -0.60 1.69 -0.12 2.29 0.11 0.52 0.14 120.40 124.43 2joz s VAL 38 Ca 0.09 -0.89 0.03 0.00 -2.93 0.00 0.00 61.98 58.28 2joz s VAL 38 Cb -0.11 -1.42 0.00 0.00 -1.53 0.00 0.00 36.38 33.33 2joz s VAL 38 CO -0.00 0.48 -0.22 -0.89 -3.33 0.00 0.00 175.10 171.14 2joz s THR 39 N -0.27 2.16 -0.23 5.04 2.01 0.84 0.44 115.64 125.64 2joz s THR 39 Ca 0.02 -0.97 -0.09 0.00 0.31 0.00 0.00 61.69 60.96 2joz s THR 39 Cb -0.10 -1.85 -0.05 0.00 0.01 0.00 0.00 72.50 70.51 2joz s THR 39 CO 0.01 0.55 0.12 -0.36 -0.69 0.00 0.00 174.62 174.26 2joz s PHE 40 N 0.55 3.27 0.58 4.92 0.08 -0.94 -1.02 117.98 125.41 2joz s PHE 40 Ca -0.13 0.11 0.09 0.00 0.12 0.00 0.00 56.93 57.12 2joz s PHE 40 Cb -0.17 -2.22 0.08 0.00 -0.57 0.00 0.00 43.02 40.15 2joz s PHE 40 CO 0.04 0.04 0.75 0.99 -0.10 0.00 0.00 175.22 176.94 2joz s THR 41 N 0.95 2.04 0.25 0.64 2.01 0.15 -3.95 115.64 117.72 2joz s THR 41 Ca 0.06 -1.07 -0.03 0.00 0.31 0.00 0.00 61.69 60.96 2joz s THR 41 Cb -0.13 -2.10 0.22 0.00 0.01 0.00 0.00 72.50 70.50 2joz s THR 41 CO 0.03 0.00 1.81 -0.33 -0.69 0.00 0.00 174.62 175.45 2joz h GLU 42 N 0.24 0.79 0.00 4.92 5.08 -1.98 -3.24 114.58 120.38 2joz h GLU 42 Ca -0.30 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 2joz h GLU 42 Cb 1.29 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2joz h GLU 42 CO 0.43 0.52 -0.45 -0.40 -1.00 0.00 0.00 179.01 178.11 2joz n ASP 43 N -4.73 0.00 -4.16 1.42 5.75 -1.26 -5.05 116.55 108.52 2joz n ASP 43 Ca 0.14 -1.89 -0.21 0.00 -0.01 0.00 0.00 54.79 52.82 2joz n ASP 43 Cb 0.29 -0.18 -0.14 0.00 -1.03 0.00 0.00 41.12 40.07 2joz n ASP 43 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2joz s GLU 44 N 0.00 1.03 -0.18 0.11 2.02 -1.23 -1.64 118.70 118.80 2joz s GLU 44 Ca 0.00 -0.77 -0.00 0.00 0.02 0.00 0.00 54.97 54.22 2joz s GLU 44 Cb 0.00 -1.05 0.01 0.00 0.10 0.00 0.00 34.13 33.19 2joz s GLU 44 CO 0.00 0.26 -0.15 0.08 0.02 0.00 0.00 175.26 175.47 2joz s VAL 45 N -0.80 2.53 -0.21 2.63 1.01 0.13 0.31 120.40 125.99 2joz s VAL 45 Ca 0.03 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.17 2joz s VAL 45 Cb -0.08 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 2joz s VAL 45 CO 0.01 0.50 0.01 -0.69 0.00 0.00 0.00 175.10 174.94 2joz s VAL 46 N 1.24 4.02 -0.15 2.92 1.01 -0.19 -0.09 120.40 129.16 2joz s VAL 46 Ca 0.03 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 61.70 2joz s VAL 46 Cb -0.14 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 2joz s VAL 46 CO -0.08 0.42 -0.08 -0.70 0.00 0.00 0.00 175.10 174.66 2joz s GLU 47 N 1.08 3.50 -0.18 2.72 2.12 -1.26 -0.11 118.70 126.57 2joz s GLU 47 Ca 0.03 -0.61 -0.03 0.00 0.36 0.00 0.00 54.97 54.72 2joz s GLU 47 Cb -0.14 -2.79 -0.02 0.00 0.26 0.00 0.00 34.13 31.44 2joz s GLU 47 CO 0.02 0.18 -0.06 0.95 -0.54 0.00 0.00 175.26 175.80 2joz s THR 48 N 0.49 3.44 -0.21 -1.70 -4.23 0.12 -0.74 115.64 112.82 2joz s THR 48 Ca -0.06 -0.49 -0.11 0.00 -1.18 0.00 0.00 61.69 59.84 2joz s THR 48 Cb -0.15 -2.52 -0.05 0.00 1.34 0.00 0.00 72.50 71.12 2joz s THR 48 CO 0.04 0.47 0.18 -1.61 -0.54 0.00 0.00 174.62 173.15 2joz s GLU 49 N 0.90 4.16 -0.39 3.99 2.02 -0.26 -0.29 118.70 128.83 2joz s GLU 49 Ca -0.01 -0.17 -0.20 0.00 0.02 0.00 0.00 54.97 54.61 2joz s GLU 49 Cb -0.15 -3.47 0.01 0.00 0.10 0.00 0.00 34.13 30.63 2joz s GLU 49 CO 0.01 0.19 0.60 0.08 0.02 0.00 0.00 175.26 176.16 2joz s VAL 50 N 0.66 4.91 0.29 2.63 1.01 -0.63 -1.09 120.40 128.18 2joz s VAL 50 Ca 0.10 0.28 0.09 0.00 0.00 0.00 0.00 61.98 62.44 2joz s VAL 50 Cb -0.12 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 2joz s VAL 50 CO 0.01 -0.41 0.05 -0.04 0.00 0.00 0.00 175.10 174.71 2joz s MET 51 N 2.64 2.35 -0.09 2.72 -1.94 -0.20 -1.27 119.30 123.50 2joz s MET 51 Ca 0.21 -1.44 -0.30 0.00 -1.71 0.00 0.00 55.69 52.46 2joz s MET 51 Cb -0.15 -2.18 -0.03 0.00 2.01 0.00 0.00 34.83 34.49 2joz s MET 51 CO 0.16 0.29 1.19 -2.00 -0.01 0.00 0.00 175.02 174.65 2joz s GLU 52 N -3.73 4.33 0.00 2.03 2.56 -1.19 -2.49 118.70 120.21 2joz s GLU 52 Ca 0.33 1.63 0.00 0.00 0.00 0.00 0.00 54.97 56.93 2joz s GLU 52 Cb -0.05 -3.60 0.00 0.00 2.00 0.00 0.00 34.13 32.48 2joz s GLU 52 CO 0.21 -0.50 0.00 0.41 -0.56 0.00 0.00 175.26 174.82 2joz n GLY 53 N 3.39 2.88 0.01 -1.50 0.00 -1.26 -4.78 105.19 103.93 2joz n GLY 53 Ca 0.11 0.00 -0.01 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 -2.00 0.09 0.00 1.61 5.12 -1.17 -5.13 116.66 115.18 2joz n ARG 54 Ca 0.00 0.07 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 2joz n ARG 54 Cb 0.00 -0.69 0.00 0.00 -1.16 0.00 0.00 32.46 30.61 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 1.52 0.20 3.61 -0.13 0.00 -1.04 -4.97 105.19 104.39 2joz n GLY 55 Ca -0.02 -1.75 -0.39 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.57 4.03 -0.22 1.61 2.02 -1.26 -1.04 118.70 123.28 2joz s GLU 56 Ca 0.00 0.05 -0.07 0.00 0.02 0.00 0.00 54.97 54.97 2joz s GLU 56 Cb 0.00 -3.64 -0.04 0.00 0.10 0.00 0.00 34.13 30.55 2joz s GLU 56 CO 0.00 -0.25 0.07 0.08 0.02 0.00 0.00 175.26 175.18 2joz s VAL 57 N 1.98 4.59 -0.26 2.63 1.01 -0.25 -4.85 120.40 125.24 2joz s VAL 57 Ca 0.15 -0.09 -0.22 0.00 0.00 0.00 0.00 61.98 61.82 2joz s VAL 57 Cb -0.16 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.10 2joz s VAL 57 CO 0.10 0.39 0.70 -1.10 0.00 0.00 0.00 175.10 175.19 2joz s GLN 58 N 1.02 4.10 0.67 2.72 -0.21 -1.26 -1.10 119.66 125.60 2joz s GLN 58 Ca 0.04 0.65 -0.10 0.00 0.02 0.00 0.00 55.36 55.96 2joz s GLN 58 Cb -0.14 -3.66 0.00 0.00 1.00 0.00 0.00 33.01 30.21 2joz s GLN 58 CO 0.03 -0.48 1.05 -0.51 -2.12 0.00 0.00 175.29 173.26 2joz s LEU 59 N 2.65 3.03 0.53 2.90 1.43 0.08 -5.01 118.68 124.28 2joz s LEU 59 Ca 0.29 1.12 -0.22 0.00 -1.03 0.00 0.00 54.13 54.29 2joz s LEU 59 Cb -0.15 -3.97 -0.05 0.00 0.03 0.00 0.00 46.19 42.05 2joz s LEU 59 CO 0.09 -1.20 1.32 -2.16 0.23 0.00 0.00 176.35 174.63 2joz s PRO 60 N -5.26 3.25 0.19 1.29 0.04 -1.26 -4.44 135.00 128.80 2joz s PRO 60 Ca 0.57 2.15 -0.31 0.00 0.04 0.00 0.00 61.00 63.45 2joz s PRO 60 Cb -0.11 -2.28 -0.10 0.00 0.04 0.00 0.00 34.50 32.05 2joz s PRO 60 CO 0.51 -1.08 1.56 -0.59 0.04 0.00 0.00 177.00 177.44 2joz s PHE 61 N -1.35 3.03 -0.30 0.56 -0.71 -1.26 -4.72 117.98 113.23 2joz s PHE 61 Ca 0.70 0.68 -0.14 0.00 -1.04 0.00 0.00 56.93 57.13 2joz s PHE 61 Cb -0.38 -3.93 -0.03 0.00 -1.21 0.00 0.00 43.02 37.47 2joz s PHE 61 CO 0.45 -3.37 0.32 -1.64 -1.34 0.00 0.00 175.22 169.64 2joz s MET 62 N 0.83 3.82 -0.06 1.99 -1.94 0.87 -4.83 119.30 119.99 2joz s MET 62 Ca 0.68 -0.23 -0.29 0.00 -1.71 0.00 0.00 55.69 54.14 2joz s MET 62 Cb -0.44 -3.71 -0.02 0.00 2.01 0.00 0.00 34.83 32.66 2joz s MET 62 CO 0.34 -0.35 0.96 0.00 -0.01 0.00 0.00 175.02 175.96 2joz s ALA 63 N 1.96 3.30 0.34 3.03 0.00 -1.26 0.18 121.76 129.30 2joz s ALA 63 Ca 0.12 0.41 0.03 0.00 0.00 0.00 0.00 51.96 52.52 2joz s ALA 63 Cb -0.16 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 2joz s ALA 63 CO 0.11 -0.40 0.08 1.52 0.00 0.00 0.00 175.76 177.06 2joz s TYR 64 N 1.48 1.87 0.27 0.00 1.13 -0.65 -2.82 117.35 118.63 2joz s TYR 64 Ca 0.48 -1.05 0.12 0.00 -1.41 0.00 0.00 57.07 55.20 2joz s TYR 64 Cb -0.19 -1.21 -0.05 0.00 -1.10 0.00 0.00 41.96 39.40 2joz s TYR 64 CO 0.22 -0.10 -0.20 0.15 -2.51 0.00 0.00 175.55 173.12 2joz s LYS 65 N -3.87 1.63 -0.25 -3.49 1.02 0.16 -4.82 119.74 110.12 2joz s LYS 65 Ca 0.34 -1.74 -0.09 0.00 0.02 0.00 0.00 55.97 54.50 2joz s LYS 65 Cb 0.07 -1.70 -0.04 0.00 -0.52 0.00 0.00 37.83 35.64 2joz s LYS 65 CO 0.15 0.32 0.11 0.08 -0.92 0.00 0.00 175.35 175.09 2joz s VAL 66 N -2.52 4.71 -0.17 3.17 1.01 -1.26 -0.36 120.40 124.98 2joz s VAL 66 Ca 0.29 -0.04 -0.17 0.00 0.00 0.00 0.00 61.98 62.06 2joz s VAL 66 Cb -0.05 -3.21 -0.13 0.00 0.00 0.00 0.00 36.38 32.99 2joz s VAL 66 CO 0.14 0.32 0.15 0.40 0.00 0.00 0.00 175.10 176.11 2joz h ILE 67 N 5.42 0.67 -3.94 2.22 2.04 -0.87 -3.48 117.51 119.57 2joz h ILE 67 Ca -0.37 -1.73 -0.24 0.00 1.00 0.00 0.00 64.86 63.51 2joz h ILE 67 Cb 1.18 1.50 -0.19 0.00 -0.74 0.00 0.00 36.82 38.56 2joz h ILE 67 CO 0.58 0.23 -0.72 -0.44 0.00 0.00 0.00 178.15 177.80 2joz s SER 68 N -6.30 0.87 -0.13 1.72 0.01 -0.91 -4.99 113.70 103.97 2joz s SER 68 Ca -0.20 -0.69 -0.06 0.00 1.31 0.00 0.00 55.95 56.31 2joz s SER 68 Cb 0.03 0.07 0.06 0.00 0.21 0.00 0.00 66.02 66.38 2joz s SER 68 CO 0.43 -0.30 0.29 -1.58 0.41 0.00 0.00 173.24 172.49 2joz s GLN 69 N -2.29 0.21 -0.04 12.44 0.74 -1.26 -0.62 119.66 128.83 2joz s GLN 69 Ca -0.04 0.71 0.12 0.00 0.05 0.00 0.00 55.36 56.20 2joz s GLN 69 Cb -0.05 -0.03 -0.18 0.00 1.10 0.00 0.00 33.01 33.86 2joz s GLN 69 CO -0.02 -0.23 0.21 0.45 -0.55 0.00 0.00 175.29 175.16 2joz n SER 70 N 4.87 2.21 0.00 6.67 2.88 -0.26 -5.00 113.62 125.00 2joz n SER 70 Ca -0.15 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 2joz n SER 70 Cb 0.51 1.36 0.00 0.00 -0.75 0.00 0.00 64.21 65.33 2joz n SER 70 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2joz n THR 71 N -2.05 0.00 -0.09 2.46 -1.04 -1.23 -4.41 114.28 107.92 2joz n THR 71 Ca -0.06 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.85 2joz n THR 71 Cb 0.46 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.94 2joz n THR 71 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2joz n ASP 72 N 1.29 1.92 0.02 8.00 2.03 -1.26 -4.82 116.55 123.73 2joz n ASP 72 Ca 0.00 0.37 -0.02 0.00 0.52 0.00 0.00 54.79 55.66 2joz n ASP 72 Cb 0.00 -0.76 -0.01 0.00 -0.72 0.00 0.00 41.12 39.62 2joz n ASP 72 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2joz h GLY 73 N -1.00 -0.16 -2.64 0.27 0.00 -1.98 -3.43 103.07 94.13 2joz h GLY 73 Ca -0.04 0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.31 2joz h GLY 73 CO -0.02 -0.06 -0.04 -0.45 0.00 0.00 0.00 176.54 175.97 2joz s SER 74 N -5.24 -0.20 -0.02 0.19 0.15 -1.26 -3.39 113.70 103.93 2joz s SER 74 Ca -0.02 -0.56 0.02 0.00 0.70 0.00 0.00 55.95 56.09 2joz s SER 74 Cb 0.00 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 2joz s SER 74 CO 0.07 -1.02 -0.07 -0.63 1.20 0.00 0.00 173.24 172.78 2joz s ILE 75 N -3.89 0.65 -0.12 6.45 1.01 0.40 -1.10 121.20 124.60 2joz s ILE 75 Ca 0.11 -0.29 0.01 0.00 0.00 0.00 0.00 60.65 60.47 2joz s ILE 75 Cb -0.00 -0.58 -0.01 0.00 0.01 0.00 0.00 42.46 41.87 2joz s ILE 75 CO -0.02 0.21 -0.15 -0.70 0.00 0.00 0.00 174.94 174.28 2joz s GLU 76 N 0.18 3.24 0.13 2.79 2.12 0.20 -0.28 118.70 127.08 2joz s GLU 76 Ca -0.02 -0.72 0.04 0.00 0.36 0.00 0.00 54.97 54.63 2joz s GLU 76 Cb -0.07 -2.55 -0.04 0.00 0.26 0.00 0.00 34.13 31.73 2joz s GLU 76 CO 0.00 0.25 -0.11 0.96 -0.54 0.00 0.00 175.26 175.83 2joz s ILE 77 N 0.24 1.14 -0.00 -3.70 -4.36 -0.07 -0.15 121.20 114.29 2joz s ILE 77 Ca -0.10 -1.91 0.03 0.00 -0.26 0.00 0.00 60.65 58.41 2joz s ILE 77 Cb -0.16 -1.69 -0.01 0.00 1.25 0.00 0.00 42.46 41.86 2joz s ILE 77 CO 0.06 -0.66 -0.11 -1.58 0.24 0.00 0.00 174.94 172.89 2joz s GLN 78 N -3.37 0.85 0.86 0.37 0.74 0.51 0.23 119.66 119.85 2joz s GLN 78 Ca 0.13 -0.42 -0.08 0.00 0.05 0.00 0.00 55.36 55.03 2joz s GLN 78 Cb 0.00 -0.82 0.18 0.00 1.10 0.00 0.00 33.01 33.47 2joz s GLN 78 CO 0.01 0.22 1.18 0.71 -0.55 0.00 0.00 175.29 176.86 2joz s TYR 79 N -0.34 1.33 0.24 1.67 2.02 -1.10 0.38 117.35 121.54 2joz s TYR 79 Ca 0.03 -0.08 0.04 0.00 -0.37 0.00 0.00 57.07 56.69 2joz s TYR 79 Cb -0.05 -3.58 -0.01 0.00 -0.40 0.00 0.00 41.96 37.92 2joz s TYR 79 CO -0.00 -2.30 0.13 1.28 -1.57 0.00 0.00 175.55 173.09 2joz n LEU 80 N -3.35 0.00 0.00 -1.29 4.77 -1.13 -4.12 117.00 111.88 2joz n LEU 80 Ca 0.16 -2.03 0.00 0.00 -0.03 0.00 0.00 56.01 54.11 2joz n LEU 80 Cb 0.60 0.85 0.00 0.00 -2.33 0.00 0.00 43.42 42.54 2joz n LEU 80 CO 0.43 -0.32 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 2joz n GLY 81 N -0.03 -0.72 0.00 -0.72 0.00 -1.26 -3.45 105.19 99.02 2joz n GLY 81 Ca 0.00 -1.27 0.04 0.00 0.00 0.00 0.00 46.02 44.79 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 0.07 -1.28 1.61 -0.04 -1.26 -2.33 135.00 131.77 2joz n PRO 82 Ca 0.00 0.27 -0.14 0.00 -0.04 0.00 0.00 63.50 63.58 2joz n PRO 82 Cb 0.00 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.08 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 -1.37 1.85 0.05 0.54 4.01 -1.22 -4.78 117.16 116.25 2joz n TYR 83 Ca 0.03 -2.01 -0.03 0.00 -0.16 0.00 0.00 57.90 55.73 2joz n TYR 83 Cb 0.08 -0.56 -0.07 0.00 -0.31 0.00 0.00 39.34 38.47 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 1.54 0.00 -0.00 -0.72 -0.00 -1.57 -3.30 116.97 112.92 2joz h TYR 84 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.04 2joz h TYR 84 Cb 1.44 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.17 2joz h TYR 84 CO 1.01 0.73 -0.07 -0.35 -0.00 0.00 0.00 178.16 179.48 2joz n PRO 85 N -3.11 0.68 -3.77 0.10 -0.04 -1.26 -4.42 135.00 123.18 2joz n PRO 85 Ca -0.06 -0.18 -0.36 0.00 -0.04 0.00 0.00 63.50 62.87 2joz n PRO 85 Cb 0.88 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.77 2joz n PRO 85 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2joz s LEU 86 N -2.44 4.27 0.39 1.53 2.96 -1.24 -5.03 118.68 119.12 2joz s LEU 86 Ca 0.31 0.32 0.08 0.00 -0.22 0.00 0.00 54.13 54.61 2joz s LEU 86 Cb 0.20 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 2joz s LEU 86 CO 0.46 0.25 0.22 -1.59 -1.32 0.00 0.00 176.35 174.37 2joz s LYS 87 N -0.08 2.34 0.04 1.98 -2.85 -1.26 -2.73 119.74 117.18 2joz s LYS 87 Ca 0.10 -1.69 -0.02 0.00 -1.00 0.00 0.00 55.97 53.37 2joz s LYS 87 Cb -0.11 -2.13 -0.03 0.00 -2.06 0.00 0.00 37.83 33.49 2joz s LYS 87 CO 0.00 -0.08 -0.00 0.45 0.10 0.00 0.00 175.35 175.82 2joz s SER 88 N -3.95 0.36 0.01 0.03 0.15 0.14 -4.36 113.70 106.07 2joz s SER 88 Ca 0.42 -0.78 0.07 0.00 0.70 0.00 0.00 55.95 56.36 2joz s SER 88 Cb 0.00 0.18 -0.02 0.00 -1.71 0.00 0.00 66.02 64.48 2joz s SER 88 CO 0.24 -0.51 -0.20 -0.89 1.20 0.00 0.00 173.24 173.08 2joz s THR 89 N -3.04 1.62 -0.14 6.45 2.01 0.38 -0.89 115.64 122.02 2joz s THR 89 Ca -0.01 -1.01 0.02 0.00 0.31 0.00 0.00 61.69 61.00 2joz s THR 89 Cb 0.02 -1.37 0.01 0.00 0.01 0.00 0.00 72.50 71.16 2joz s THR 89 CO -0.07 0.34 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.23 2joz s LEU 90 N -0.78 2.08 0.25 4.42 1.43 0.62 -0.03 118.68 126.67 2joz s LEU 90 Ca 0.08 -0.60 0.09 0.00 -1.03 0.00 0.00 54.13 52.66 2joz s LEU 90 Cb -0.08 -1.42 -0.05 0.00 0.03 0.00 0.00 46.19 44.66 2joz s LEU 90 CO 0.00 0.06 -0.13 -0.54 0.23 0.00 0.00 176.35 175.97 2joz s LYS 91 N 0.91 1.51 0.34 1.70 1.02 -0.25 -0.46 119.74 124.50 2joz s LYS 91 Ca -0.05 -1.71 -0.26 0.00 0.02 0.00 0.00 55.97 53.98 2joz s LYS 91 Cb -0.15 -1.33 -0.10 0.00 -0.52 0.00 0.00 37.83 35.73 2joz s LYS 91 CO -0.04 0.18 0.96 -0.98 -0.92 0.00 0.00 175.35 174.55 2joz s ARG 92 N -3.63 4.51 0.45 1.68 1.70 -1.22 0.33 118.95 122.78 2joz s ARG 92 Ca 0.27 1.34 0.08 0.00 -0.47 0.00 0.00 55.73 56.95 2joz s ARG 92 Cb -0.00 -2.73 0.02 0.00 -0.57 0.00 0.00 34.95 31.67 2joz s ARG 92 CO 0.11 0.21 0.61 0.20 -1.08 0.00 0.00 175.30 175.35 2joz s GLY 93 N -1.64 1.92 0.50 3.88 0.00 0.17 -4.69 107.32 107.46 2joz s GLY 93 Ca 0.52 -1.71 0.29 0.00 0.00 0.00 0.00 44.72 43.82 2joz s GLY 93 CO 0.24 -1.49 1.83 0.83 0.00 0.00 0.00 173.10 174.51 2joz h GLU 94 N 0.55 0.00 0.00 2.90 5.08 -1.97 -3.18 114.58 117.96 2joz h GLU 94 Ca -0.39 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 2joz h GLU 94 Cb 1.28 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.51 2joz h GLU 94 CO 0.45 0.00 -0.52 0.09 -1.00 0.00 0.00 179.01 178.03 2joz n ASN 95 N -3.08 1.68 -1.86 1.42 4.13 -1.26 -4.91 115.26 111.38 2joz n ASN 95 Ca 0.02 -3.75 -0.11 0.00 1.68 0.00 0.00 54.58 52.42 2joz n ASN 95 Cb 0.39 -0.51 0.03 0.00 -1.54 0.00 0.00 39.78 38.16 2joz n ASN 95 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2joz n GLY 96 N -1.02 0.27 3.76 7.41 0.00 -1.20 -5.05 105.19 109.37 2joz n GLY 96 Ca 0.18 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.12 1.68 -0.12 2.61 -4.23 -1.26 -4.85 115.64 106.35 2joz s THR 97 Ca 0.26 -1.83 -0.00 0.00 -1.18 0.00 0.00 61.69 58.93 2joz s THR 97 Cb -0.11 -2.51 -0.02 0.00 1.34 0.00 0.00 72.50 71.20 2joz s THR 97 CO 0.32 0.00 -0.12 -0.22 -0.54 0.00 0.00 174.62 174.06 2joz s LEU 98 N -3.93 2.81 -0.40 4.79 2.96 -1.26 0.45 118.68 124.11 2joz s LEU 98 Ca 0.25 -0.27 -0.16 0.00 -0.22 0.00 0.00 54.13 53.73 2joz s LEU 98 Cb 0.03 -1.63 0.01 0.00 0.50 0.00 0.00 46.19 45.10 2joz s LEU 98 CO 0.14 0.20 0.37 -0.63 -1.32 0.00 0.00 176.35 175.11 2joz s ILE 99 N 0.15 5.16 -0.38 6.68 -1.09 0.15 -1.96 121.20 129.92 2joz s ILE 99 Ca -0.06 -0.34 -0.16 0.00 -2.23 0.00 0.00 60.65 57.86 2joz s ILE 99 Cb -0.15 -3.95 0.00 0.00 -1.58 0.00 0.00 42.46 36.79 2joz s ILE 99 CO 0.04 -0.30 0.39 0.86 -1.23 0.00 0.00 174.94 174.71 2joz s TRP 100 N 1.96 3.19 -0.12 3.97 -0.00 0.83 -1.09 118.94 127.68 2joz s TRP 100 Ca 0.10 -0.19 -0.02 0.00 -0.00 0.00 0.00 56.10 55.99 2joz s TRP 100 Cb -0.17 -2.77 -0.02 0.00 -0.00 0.00 0.00 33.47 30.50 2joz s TRP 100 CO 0.12 -0.55 -0.07 -2.00 -0.00 0.00 0.00 176.95 174.45 2joz s GLU 101 N 2.06 3.35 -0.16 5.86 2.12 0.96 0.09 118.70 132.98 2joz s GLU 101 Ca 0.12 -0.57 -0.08 0.00 0.36 0.00 0.00 54.97 54.79 2joz s GLU 101 Cb -0.17 -2.75 0.06 0.00 0.26 0.00 0.00 34.13 31.53 2joz s GLU 101 CO 0.12 0.35 0.38 -1.14 -0.54 0.00 0.00 175.26 174.43 2joz s GLN 102 N 0.05 0.35 -1.38 4.30 -0.44 -0.09 -0.47 119.66 121.98 2joz s GLN 102 Ca -0.02 0.78 0.00 0.00 -2.50 0.00 0.00 55.36 53.63 2joz s GLN 102 Cb -0.14 0.01 0.00 0.00 -1.64 0.00 0.00 33.01 31.24 2joz s GLN 102 CO 0.03 -0.18 0.00 0.09 0.50 0.00 0.00 175.29 175.74 2joz n ASN 103 N 4.46 -5.31 0.00 6.67 3.02 -1.26 -0.98 115.26 121.86 2joz n ASN 103 Ca -0.21 0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 2joz n ASN 103 Cb 0.54 -3.95 0.00 0.00 -0.61 0.00 0.00 39.78 35.76 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 -0.39 0.36 3.77 7.41 0.00 -1.26 -5.05 105.19 110.03 2joz n GLY 104 Ca -0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.88 4.16 -0.24 1.61 -0.21 -0.15 -5.06 119.66 118.88 2joz s GLN 105 Ca 0.00 0.40 -0.10 0.00 0.02 0.00 0.00 55.36 55.69 2joz s GLN 105 Cb 0.00 -3.34 -0.05 0.00 1.00 0.00 0.00 33.01 30.62 2joz s GLN 105 CO 0.00 0.39 0.14 1.03 -2.12 0.00 0.00 175.29 174.73 2joz s ARG 106 N -0.13 3.97 -0.20 2.91 0.52 -1.26 -0.91 118.95 123.86 2joz s ARG 106 Ca 0.24 -0.32 -0.06 0.00 -0.52 0.00 0.00 55.73 55.07 2joz s ARG 106 Cb -0.16 -3.49 -0.03 0.00 0.52 0.00 0.00 34.95 31.79 2joz s ARG 106 CO 0.11 0.00 0.02 0.15 0.02 0.00 0.00 175.30 175.61 2joz s LYS 107 N 1.19 3.72 -0.37 3.54 -0.14 0.11 -4.98 119.74 122.80 2joz s LYS 107 Ca 0.07 -0.47 -0.16 0.00 -1.36 0.00 0.00 55.97 54.05 2joz s LYS 107 Cb -0.14 -3.14 0.00 0.00 -1.68 0.00 0.00 37.83 32.87 2joz s LYS 107 CO 0.05 0.07 0.36 -0.08 -0.76 0.00 0.00 175.35 174.99 2joz s THR 108 N 0.89 5.17 0.16 2.17 -1.32 -1.26 -0.12 115.64 121.32 2joz s THR 108 Ca 0.02 -0.18 0.03 0.00 -1.21 0.00 0.00 61.69 60.35 2joz s THR 108 Cb -0.14 -3.89 -0.03 0.00 -1.51 0.00 0.00 72.50 66.93 2joz s THR 108 CO 0.02 -0.20 0.28 -0.04 -2.21 0.00 0.00 174.62 172.47 2joz s MET 109 N 1.98 3.40 0.14 7.08 1.00 -0.83 -3.37 119.30 128.71 2joz s MET 109 Ca 0.10 -0.63 -0.04 0.00 0.00 0.00 0.00 55.69 55.12 2joz s MET 109 Cb -0.17 -2.94 -0.05 0.00 0.00 0.00 0.00 34.83 31.67 2joz s MET 109 CO 0.12 0.51 0.36 0.99 0.00 0.00 0.00 175.02 177.00 2joz s THR 110 N -1.77 5.19 -0.05 2.05 2.01 0.17 -3.99 115.64 119.26 2joz s THR 110 Ca 0.34 -0.05 -0.12 0.00 0.31 0.00 0.00 61.69 62.17 2joz s THR 110 Cb -0.11 -3.63 -0.05 0.00 0.01 0.00 0.00 72.50 68.72 2joz s THR 110 CO 0.28 0.03 0.31 0.00 -0.69 0.00 0.00 174.62 174.55 2joz s ARG 111 N -2.71 3.75 0.24 4.92 1.70 -1.26 -0.14 118.95 125.44 2joz s ARG 111 Ca 0.40 0.21 -0.01 0.00 -0.47 0.00 0.00 55.73 55.86 2joz s ARG 111 Cb -0.12 -3.21 -0.04 0.00 -0.57 0.00 0.00 34.95 31.00 2joz s ARG 111 CO 0.25 0.72 0.44 0.42 -1.08 0.00 0.00 175.30 176.05 2joz s ILE 112 N -1.03 5.16 -1.04 4.99 -1.09 -0.68 -4.89 121.20 122.62 2joz s ILE 112 Ca 0.20 -0.33 -0.23 0.00 -2.23 0.00 0.00 60.65 58.06 2joz s ILE 112 Cb -0.15 -3.75 -0.06 0.00 -1.58 0.00 0.00 42.46 36.92 2joz s ILE 112 CO 0.10 -0.25 1.93 -1.61 -1.23 0.00 0.00 174.94 173.87 2joz s GLU 113 N -3.51 2.58 -0.99 2.79 8.01 -1.26 -4.73 118.70 121.58 2joz s GLU 113 Ca 0.39 -0.75 -0.01 0.00 0.01 0.00 0.00 54.97 54.61 2joz s GLU 113 Cb -0.11 -5.16 0.32 0.00 -4.31 0.00 0.00 34.13 24.87 2joz s GLU 113 CO 0.30 -3.61 1.90 -1.13 0.01 0.00 0.00 175.26 172.73 2joz n SER 114 N 13.93 7.42 -4.57 -0.19 3.41 -1.26 -4.93 113.62 127.43 2joz n SER 114 Ca 0.42 -3.71 -0.40 0.00 -0.26 0.00 0.00 58.87 54.93 2joz n SER 114 Cb 0.47 -1.15 -0.02 0.00 -0.26 0.00 0.00 64.21 63.24 2joz n SER 114 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2joz s LYS 115 N -4.18 3.60 0.37 4.33 2.20 -1.26 -4.88 119.74 119.92 2joz s LYS 115 Ca 0.42 -1.34 -0.09 0.00 -0.36 0.00 0.00 55.97 54.60 2joz s LYS 115 Cb 0.25 -5.39 0.03 0.00 -1.51 0.00 0.00 37.83 31.21 2joz s LYS 115 CO -0.19 -2.38 0.65 -0.08 -0.36 0.00 0.00 175.35 172.98 2joz s THR 116 N 5.36 0.00 0.27 3.43 -1.32 -1.26 -5.18 115.64 116.94 2joz s THR 116 Ca 0.51 -1.27 0.07 0.00 -1.21 0.00 0.00 61.69 59.80 2joz s THR 116 Cb 0.01 -2.80 -0.03 0.00 -1.51 0.00 0.00 72.50 68.16 2joz s THR 116 CO -0.03 0.00 0.20 -0.83 -2.21 0.00 0.00 174.62 171.76 2joz s GLY 117 N -3.15 1.52 -0.73 6.08 0.00 -1.26 -5.06 107.32 104.71 2joz s GLY 117 Ca 0.22 -1.50 -0.21 0.00 0.00 0.00 0.00 44.72 43.24 2joz s GLY 117 CO 0.16 -1.51 0.99 -1.60 0.00 0.00 0.00 173.10 171.13 2joz s ARG 118 N -3.86 3.24 0.50 2.90 3.52 -1.26 -5.02 118.95 118.96 2joz s ARG 118 Ca 0.35 -1.13 -0.18 0.00 -0.13 0.00 0.00 55.73 54.64 2joz s ARG 118 Cb -0.07 -4.43 -0.08 0.00 -1.56 0.00 0.00 34.95 28.81 2joz s ARG 118 CO 0.25 -1.78 0.99 -1.21 -0.81 0.00 0.00 175.30 172.73 2joz s GLU 119 N 3.57 3.94 -0.23 5.12 2.02 -1.26 -5.05 118.70 126.82 2joz s GLU 119 Ca 0.24 1.04 -0.03 0.00 0.02 0.00 0.00 54.97 56.25 2joz s GLU 119 Cb -0.14 -2.13 0.01 0.00 0.10 0.00 0.00 34.13 31.96 2joz s GLU 119 CO 0.04 -0.28 -0.06 -2.00 0.02 0.00 0.00 175.26 172.98 2joz s GLU 120 N -3.81 3.14 -0.48 1.61 2.12 -1.26 -5.07 118.70 114.94 2joz s GLU 120 Ca 0.61 -0.77 -0.22 0.00 0.36 0.00 0.00 54.97 54.94 2joz s GLU 120 Cb -0.11 -2.96 0.04 0.00 0.26 0.00 0.00 34.13 31.36 2joz s GLU 120 CO 0.27 -0.27 0.76 0.21 -0.54 0.00 0.00 175.26 175.68 2joz s LYS 121 N 1.41 3.30 -0.49 4.30 2.20 -1.26 -5.00 119.74 124.19 2joz s LYS 121 Ca 0.04 -0.37 -0.10 0.00 -0.36 0.00 0.00 55.97 55.18 2joz s LYS 121 Cb -0.15 -4.00 0.13 0.00 -1.51 0.00 0.00 37.83 32.29 2joz s LYS 121 CO -0.05 -1.21 0.38 0.34 -0.36 0.00 0.00 175.35 174.45 2joz s ASP 122 N 2.40 5.77 0.03 1.43 2.15 -1.26 -5.02 116.67 122.18 2joz s ASP 122 Ca 0.25 -1.96 -0.27 0.00 0.43 0.00 0.00 52.55 51.01 2joz s ASP 122 Cb -0.14 -2.03 0.07 0.00 -0.30 0.00 0.00 42.92 40.51 2joz s ASP 122 CO 0.19 -0.70 0.62 -1.61 -0.17 0.00 0.00 175.17 173.50 2joz s GLU 123 N 1.31 1.12 -0.49 4.34 2.02 -1.26 -5.09 118.70 120.64 2joz s GLU 123 Ca 0.06 -0.06 0.05 0.00 0.02 0.00 0.00 54.97 55.05 2joz s GLU 123 Cb -0.26 0.52 0.20 0.00 0.10 0.00 0.00 34.13 34.69 2joz s GLU 123 CO -0.01 -0.41 0.46 1.17 0.02 0.00 0.00 175.26 176.49 2joz n LYS 124 N 0.43 0.90 -2.81 1.61 4.81 -1.26 -5.09 118.16 116.75 2joz n LYS 124 Ca -0.18 -3.62 -0.43 0.00 -0.87 0.00 0.00 58.31 53.21 2joz n LYS 124 Cb 0.60 -1.76 -0.04 0.00 0.02 0.00 0.00 35.03 33.85 2joz n LYS 124 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2joz s SER 125 N -0.81 6.60 -0.37 3.14 1.04 -1.26 -5.01 113.70 117.03 2joz s SER 125 Ca 0.32 0.37 -0.03 0.00 0.48 0.00 0.00 55.95 57.10 2joz s SER 125 Cb 0.06 -2.46 0.09 0.00 0.10 0.00 0.00 66.02 63.81 2joz s SER 125 CO -0.15 -0.96 0.14 -1.59 0.98 0.00 0.00 173.24 171.66 2joz s LYS 126 N 3.64 2.19 -1.14 4.02 -2.85 -1.26 -5.03 119.74 119.30 2joz s LYS 126 Ca 0.38 -1.60 -0.14 0.00 -1.00 0.00 0.00 55.97 53.61 2joz s LYS 126 Cb -0.11 -3.46 0.18 0.00 -2.06 0.00 0.00 37.83 32.38 2joz s LYS 126 CO 0.23 -0.90 1.34 -1.12 0.10 0.00 0.00 175.35 174.99 2joz s SER 127 N 1.62 7.02 -0.91 0.03 0.01 -1.26 -4.96 113.70 115.24 2joz s SER 127 Ca 0.03 -2.89 -0.24 0.00 1.31 0.00 0.00 55.95 54.16 2joz s SER 127 Cb -0.22 -2.38 0.05 0.00 0.21 0.00 0.00 66.02 63.69 2joz s SER 127 CO -0.03 -0.75 1.36 -0.76 0.41 0.00 0.00 173.24 173.47 2joz s LEU 128 N 1.46 3.54 -0.32 2.44 1.43 -1.26 -4.97 118.68 121.00 2joz s LEU 128 Ca 0.39 -1.17 -0.14 0.00 -1.03 0.00 0.00 54.13 52.18 2joz s LEU 128 Cb -0.04 -2.55 -0.02 0.00 0.03 0.00 0.00 46.19 43.61 2joz s LEU 128 CO -0.02 -1.58 0.33 -1.61 0.23 0.00 0.00 176.35 173.70 2joz s GLU 129 N 5.02 3.69 -0.13 1.70 0.41 -1.26 -4.91 118.70 123.22 2joz s GLU 129 Ca 0.41 -0.34 0.17 0.00 -0.41 0.00 0.00 54.97 54.79 2joz s GLU 129 Cb -0.03 -3.76 0.42 0.00 -1.78 0.00 0.00 34.13 28.98 2joz s GLU 129 CO -0.02 -0.43 1.20 -2.39 -0.49 0.00 0.00 175.26 173.14 2joz n HIS 130 N 5.31 0.01 -3.39 1.61 1.44 -1.26 -5.05 115.22 113.90 2joz n HIS 130 Ca -0.10 -1.13 -0.34 0.00 -2.01 0.00 0.00 57.72 54.13 2joz n HIS 130 Cb 0.50 -0.21 -0.06 0.00 0.12 0.00 0.00 29.99 30.34 2joz n HIS 130 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2joz s HIS 131 N -2.05 3.55 -0.36 -1.40 3.76 -1.26 -5.04 115.29 112.50 2joz s HIS 131 Ca 0.37 0.98 -0.26 0.00 -0.15 0.00 0.00 55.06 56.00 2joz s HIS 131 Cb 0.38 -2.32 0.01 0.00 1.11 0.00 0.00 32.58 31.76 2joz s HIS 131 CO -0.11 0.39 0.94 -1.58 -0.85 0.00 0.00 174.74 173.53 2joz s HIS 132 N -1.57 3.10 -0.17 1.40 2.46 -1.26 -4.99 115.29 114.26 2joz s HIS 132 Ca 0.40 0.83 -0.29 0.00 0.47 0.00 0.00 55.06 56.48 2joz s HIS 132 Cb -0.14 -3.62 -0.03 0.00 -0.13 0.00 0.00 32.58 28.65 2joz s HIS 132 CO 0.20 -0.80 1.61 -1.58 -2.47 0.00 0.00 174.74 171.70 2joz s HIS 133 N 3.46 2.10 -0.08 3.88 2.46 -1.26 -4.98 115.29 120.87 2joz s HIS 133 Ca 0.39 0.48 -0.02 0.00 0.47 0.00 0.00 55.06 56.37 2joz s HIS 133 Cb -0.12 -3.93 0.03 0.00 -0.13 0.00 0.00 32.58 28.43 2joz s HIS 133 CO 0.18 -3.13 0.03 -1.58 -2.47 0.00 0.00 174.74 167.77 2joz s HIS 134 N 4.83 0.48 0.00 3.88 5.65 -1.26 -5.32 115.29 123.55 2joz s HIS 134 Ca 0.71 -0.13 0.00 0.00 0.25 0.00 0.00 55.06 55.90 2joz s HIS 134 Cb -0.27 -0.72 0.00 0.00 -1.18 0.00 0.00 32.58 30.41 2joz s HIS 134 CO 0.28 -0.33 0.34 1.58 -0.65 0.00 0.00 174.74 175.96