#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 4.63 -0.87 2.02 -1.09 -1.26 -4.74 121.20 119.90 2joz s ILE 2 Ca 0.00 -1.84 0.25 0.00 -2.23 0.00 0.00 60.65 56.83 2joz s ILE 2 Cb 0.00 -4.92 0.04 0.00 -1.58 0.00 0.00 42.46 36.01 2joz s ILE 2 CO 0.00 -1.67 1.43 1.15 -1.23 0.00 0.00 174.94 174.62 2joz n MET 3 N 6.84 0.11 -3.47 2.79 0.00 -1.26 -4.97 117.12 117.15 2joz n MET 3 Ca 0.32 0.03 -0.22 0.00 0.00 0.00 0.00 57.70 57.84 2joz n MET 3 Cb 0.47 -1.57 0.06 0.00 0.00 0.00 0.00 33.22 32.18 2joz n MET 3 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2joz n VAL 4 N -1.73 -7.14 -3.30 3.17 0.31 -1.26 -5.01 118.33 103.37 2joz n VAL 4 Ca 0.05 -1.03 -0.08 0.00 -0.01 0.00 0.00 64.34 63.26 2joz n VAL 4 Cb 0.37 -5.28 -0.06 0.00 -0.91 0.00 0.00 33.84 27.97 2joz n VAL 4 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2joz s SER 5 N -3.64 0.29 0.11 4.52 0.01 -1.26 -5.15 113.70 108.57 2joz s SER 5 Ca 0.36 -0.36 -0.04 0.00 1.31 0.00 0.00 55.95 57.22 2joz s SER 5 Cb -0.08 1.15 0.02 0.00 0.21 0.00 0.00 66.02 67.32 2joz s SER 5 CO 0.79 -0.35 0.22 0.61 0.41 0.00 0.00 173.24 174.91 2joz n GLY 6 N 5.36 1.80 3.82 3.44 0.00 -1.26 -5.16 105.19 113.18 2joz n GLY 6 Ca 0.01 -1.11 -0.08 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.86 1.00 -0.40 0.00 -0.21 -1.26 -4.85 119.66 111.08 2joz s GLN 8 Ca 0.14 -1.34 -0.09 0.00 0.02 0.00 0.00 55.36 54.09 2joz s GLN 8 Cb -0.05 -0.48 0.06 0.00 1.00 0.00 0.00 33.01 33.54 2joz s GLN 8 CO 0.10 -1.34 0.22 -1.14 -2.12 0.00 0.00 175.29 171.01 2joz s GLN 9 N 0.69 2.64 -0.33 2.91 0.74 -1.26 -5.03 119.66 120.02 2joz s GLN 9 Ca 0.30 -1.33 -0.28 0.00 0.05 0.00 0.00 55.36 54.09 2joz s GLN 9 Cb 0.00 -3.71 -0.02 0.00 1.10 0.00 0.00 33.01 30.38 2joz s GLN 9 CO -0.09 -0.85 1.87 -0.65 -0.55 0.00 0.00 175.29 175.02 2joz s GLN 10 N 1.45 3.26 0.41 1.67 1.11 -1.26 -4.85 119.66 121.45 2joz s GLN 10 Ca 0.02 1.49 0.21 0.00 0.01 0.00 0.00 55.36 57.09 2joz s GLN 10 Cb -0.22 -4.24 0.85 0.00 -1.01 0.00 0.00 33.01 28.40 2joz s GLN 10 CO 0.03 -1.94 1.81 0.87 0.01 0.00 0.00 175.29 176.07 2joz h LYS 11 N 13.37 0.00 -5.14 2.91 1.57 -1.96 -3.46 116.57 123.86 2joz h LYS 11 Ca -0.34 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.03 2joz h LYS 11 Cb 1.18 0.00 0.10 0.00 0.08 0.00 0.00 32.23 33.59 2joz h LYS 11 CO 1.03 0.30 -0.64 0.39 -0.57 0.00 0.00 179.45 179.95 2joz n GLU 12 N -3.54 -6.42 -3.26 3.15 1.02 -1.26 -4.99 120.64 105.34 2joz n GLU 12 Ca -0.00 0.88 -0.26 0.00 -0.02 0.00 0.00 57.16 57.75 2joz n GLU 12 Cb 0.44 -5.84 -0.02 0.00 -0.02 0.00 0.00 31.44 26.01 2joz n GLU 12 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2joz s GLU 13 N -6.00 3.55 -0.69 3.49 2.12 -1.26 -5.02 118.70 114.89 2joz s GLU 13 Ca 0.44 -0.12 -0.27 0.00 0.36 0.00 0.00 54.97 55.38 2joz s GLU 13 Cb -0.19 -2.62 0.02 0.00 0.26 0.00 0.00 34.13 31.59 2joz s GLU 13 CO 0.55 0.13 1.44 0.99 -0.54 0.00 0.00 175.26 177.82 2joz s THR 14 N -2.28 3.64 -0.15 -1.70 2.01 -1.26 -4.98 115.64 110.91 2joz s THR 14 Ca 0.43 0.39 -0.11 0.00 0.31 0.00 0.00 61.69 62.71 2joz s THR 14 Cb -0.10 -4.62 -0.05 0.00 0.01 0.00 0.00 72.50 67.74 2joz s THR 14 CO 0.35 -1.54 0.22 -2.16 -0.69 0.00 0.00 174.62 170.79 2joz s PRO 15 N 6.03 4.02 -0.01 4.92 0.04 -1.26 -4.95 135.00 143.80 2joz s PRO 15 Ca 0.45 -0.03 0.15 0.00 0.04 0.00 0.00 61.00 61.61 2joz s PRO 15 Cb -0.09 -3.35 -0.19 0.00 0.04 0.00 0.00 34.50 30.91 2joz s PRO 15 CO 0.18 0.42 0.54 1.97 0.04 0.00 0.00 177.00 180.14 2joz n PHE 16 N 3.04 0.00 0.68 0.56 1.16 -1.26 -4.53 117.46 117.12 2joz n PHE 16 Ca -0.15 0.00 0.08 0.00 -1.87 0.00 0.00 57.45 55.51 2joz n PHE 16 Cb 0.53 -0.11 0.06 0.00 -1.61 0.00 0.00 39.48 38.35 2joz n PHE 16 CO 0.00 0.00 0.00 2.48 -1.87 0.00 0.00 176.76 177.37 2joz n TYR 17 N -1.57 0.00 0.95 2.97 4.11 -1.26 -4.59 117.16 117.77 2joz n TYR 17 Ca 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 57.90 57.91 2joz n TYR 17 Cb 0.29 0.00 0.01 0.00 -0.00 0.00 0.00 39.34 39.63 2joz n TYR 17 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 2joz n TYR 18 N 0.86 0.07 -3.54 -3.48 4.02 -1.26 -4.31 117.16 109.52 2joz n TYR 18 Ca 0.09 -0.35 0.00 0.00 -0.01 0.00 0.00 57.90 57.64 2joz n TYR 18 Cb 0.41 -0.21 0.00 0.00 -0.02 0.00 0.00 39.34 39.52 2joz n TYR 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2joz n GLY 19 N 0.30 5.83 3.43 2.72 0.00 -1.26 -4.76 105.19 111.46 2joz n GLY 19 Ca 0.01 -2.10 -0.34 0.00 0.00 0.00 0.00 46.02 43.59 2joz n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2joz s THR 20 N -0.14 3.75 -0.10 2.61 2.01 -1.26 -2.15 115.64 120.36 2joz s THR 20 Ca 0.00 -0.39 0.00 0.00 0.31 0.00 0.00 61.69 61.61 2joz s THR 20 Cb 0.00 -2.67 -0.02 0.00 0.01 0.00 0.00 72.50 69.82 2joz s THR 20 CO 0.00 0.46 -0.09 0.26 -0.69 0.00 0.00 174.62 174.55 2joz s TRP 21 N 0.83 2.87 -0.19 4.92 0.52 0.82 -2.18 118.94 126.53 2joz s TRP 21 Ca -0.01 -0.25 -0.22 0.00 0.02 0.00 0.00 56.10 55.64 2joz s TRP 21 Cb -0.14 -1.77 -0.02 0.00 -1.15 0.00 0.00 33.47 30.38 2joz s TRP 21 CO 0.02 0.09 0.70 0.34 0.02 0.00 0.00 176.95 178.11 2joz s ASP 22 N -0.27 6.77 -1.16 2.95 2.15 0.16 -0.82 116.67 126.45 2joz s ASP 22 Ca 0.03 0.94 -0.09 0.00 0.43 0.00 0.00 52.55 53.85 2joz s ASP 22 Cb -0.13 -2.38 0.24 0.00 -0.30 0.00 0.00 42.92 40.35 2joz s ASP 22 CO 0.03 -0.32 1.41 -0.62 -0.17 0.00 0.00 175.17 175.50 2joz n GLU 23 N 5.15 3.72 -1.01 4.34 1.02 0.14 -0.24 120.64 133.77 2joz n GLU 23 Ca 0.01 -4.16 -0.14 0.00 -0.02 0.00 0.00 57.16 52.84 2joz n GLU 23 Cb 0.49 -2.73 -0.15 0.00 -0.02 0.00 0.00 31.44 29.03 2joz n GLU 23 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2joz n GLY 24 N 2.77 3.09 3.37 0.62 0.00 -1.26 -3.27 105.19 110.51 2joz n GLY 24 Ca 0.31 -1.22 -0.14 0.00 0.00 0.00 0.00 46.02 44.97 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 1.16 0.61 0.51 1.61 6.06 -1.26 -5.10 118.95 122.54 2joz s ARG 25 Ca 0.66 0.55 0.00 0.00 -2.50 0.00 0.00 55.73 54.43 2joz s ARG 25 Cb 0.30 0.29 0.00 0.00 0.06 0.00 0.00 34.95 35.60 2joz s ARG 25 CO -0.01 -0.10 0.00 0.00 -2.50 0.00 0.00 175.30 172.70 2joz n ALA 26 N 2.51 -2.94 -1.96 6.12 0.00 -1.26 -4.86 120.51 118.12 2joz n ALA 26 Ca -0.15 0.73 -0.27 0.00 0.00 0.00 0.00 53.44 53.75 2joz n ALA 26 Cb 0.57 -1.29 0.15 0.00 0.00 0.00 0.00 19.45 18.87 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 -4.20 1.11 0.00 0.00 0.05 -1.26 -4.64 135.00 126.07 2joz s PRO 27 Ca 0.00 -0.69 0.00 0.00 0.05 0.00 0.00 61.00 60.36 2joz s PRO 27 Cb 0.00 -2.05 0.00 0.00 0.05 0.00 0.00 34.50 32.50 2joz s PRO 27 CO 0.00 -1.98 0.00 0.41 0.05 0.00 0.00 177.00 175.48 2joz n GLY 28 N -3.36 6.72 3.14 0.56 0.00 -1.07 -4.93 105.19 106.26 2joz n GLY 28 Ca 0.15 -2.03 -0.36 0.00 0.00 0.00 0.00 46.02 43.78 2joz n GLY 28 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2joz n PRO 29 N 0.00 -0.01 0.25 1.61 -0.02 -1.26 -4.71 135.00 130.86 2joz n PRO 29 Ca 0.00 0.01 0.17 0.00 -2.02 0.00 0.00 63.50 61.65 2joz n PRO 29 Cb 0.00 -1.17 0.70 0.00 -0.02 0.00 0.00 33.50 33.01 2joz n PRO 29 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2joz h THR 30 N -0.80 0.00 0.50 3.45 1.35 -2.00 -3.15 112.91 112.27 2joz h THR 30 Ca -0.43 -0.38 -0.02 0.00 -0.55 0.00 0.00 66.41 65.02 2joz h THR 30 Cb 1.33 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 2joz h THR 30 CO 0.30 0.00 -0.24 -0.78 -0.25 0.00 0.00 175.52 174.55 2joz h ASP 31 N 0.00 -0.57 0.00 5.36 3.58 -2.05 -3.45 116.42 119.29 2joz h ASP 31 Ca 0.00 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2joz h ASP 31 Cb 0.41 0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.60 2joz h ASP 31 CO 0.00 -0.34 0.00 0.61 -2.88 0.00 0.00 179.24 176.63 2joz n GLY 32 N -1.12 -0.05 3.77 -0.78 0.00 -1.22 -5.11 105.19 100.68 2joz n GLY 32 Ca -0.12 0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 5.41 -0.09 1.61 1.01 -1.19 -2.91 120.40 124.24 2joz s VAL 33 Ca 0.00 0.25 0.09 0.00 0.00 0.00 0.00 61.98 62.33 2joz s VAL 33 Cb 0.00 -3.48 -0.13 0.00 0.00 0.00 0.00 36.38 32.77 2joz s VAL 33 CO 0.00 0.48 0.23 0.29 0.00 0.00 0.00 175.10 176.11 2joz n LYS 34 N 3.10 0.98 -3.83 2.72 5.02 -0.66 -2.61 118.16 122.88 2joz n LYS 34 Ca -0.16 -0.07 -0.09 0.00 -2.02 0.00 0.00 58.31 55.97 2joz n LYS 34 Cb 0.53 -1.16 -0.04 0.00 -0.02 0.00 0.00 35.03 34.34 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 -2.83 -0.21 0.05 4.39 0.01 -1.20 -4.66 113.70 109.24 2joz s SER 35 Ca -0.02 -0.63 0.03 0.00 1.31 0.00 0.00 55.95 56.64 2joz s SER 35 Cb 0.06 0.61 -0.03 0.00 0.21 0.00 0.00 66.02 66.87 2joz s SER 35 CO 0.38 -1.13 -0.09 0.00 0.41 0.00 0.00 173.24 172.81 2joz s ALA 36 N -3.92 0.66 -0.03 1.44 0.00 -1.20 -0.28 121.76 118.42 2joz s ALA 36 Ca 0.13 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.30 2joz s ALA 36 Cb -0.02 0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.15 2joz s ALA 36 CO 0.02 -0.00 -0.06 0.95 0.00 0.00 0.00 175.76 176.67 2joz s THR 37 N -1.41 0.57 -0.13 0.00 -4.23 0.19 0.28 115.64 110.91 2joz s THR 37 Ca -0.09 -0.19 -0.01 0.00 -1.18 0.00 0.00 61.69 60.23 2joz s THR 37 Cb -0.10 -0.56 -0.02 0.00 1.34 0.00 0.00 72.50 73.16 2joz s THR 37 CO 0.01 0.22 -0.10 0.54 -0.54 0.00 0.00 174.62 174.74 2joz s VAL 38 N 0.62 3.34 -0.17 2.29 0.11 0.00 -0.87 120.40 125.72 2joz s VAL 38 Ca -0.09 -0.57 -0.02 0.00 -2.93 0.00 0.00 61.98 58.38 2joz s VAL 38 Cb -0.12 -2.41 -0.01 0.00 -1.53 0.00 0.00 36.38 32.31 2joz s VAL 38 CO 0.00 0.53 -0.10 -0.89 -3.33 0.00 0.00 175.10 171.31 2joz s THR 39 N 0.17 3.14 -0.30 5.04 2.01 0.05 -0.12 115.64 125.63 2joz s THR 39 Ca -0.06 -0.60 -0.11 0.00 0.31 0.00 0.00 61.69 61.23 2joz s THR 39 Cb -0.15 -2.37 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 2joz s THR 39 CO 0.04 0.48 0.19 -0.36 -0.69 0.00 0.00 174.62 174.28 2joz s PHE 40 N 0.87 3.20 0.54 4.92 0.08 -0.91 -0.36 117.98 126.32 2joz s PHE 40 Ca -0.03 -0.13 0.09 0.00 0.12 0.00 0.00 56.93 56.99 2joz s PHE 40 Cb -0.15 -2.39 0.09 0.00 -0.57 0.00 0.00 43.02 40.00 2joz s PHE 40 CO 0.00 -0.28 0.73 2.41 -0.10 0.00 0.00 175.22 177.99 2joz n THR 41 N 5.05 0.00 0.05 0.64 -1.04 0.12 -4.09 114.28 115.01 2joz n THR 41 Ca -0.14 -1.83 -0.14 0.00 -2.04 0.00 0.00 64.05 59.90 2joz n THR 41 Cb 0.51 -0.51 -0.08 0.00 -1.82 0.00 0.00 70.33 68.43 2joz n THR 41 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2joz h GLU 42 N 0.00 -0.58 0.00 -2.82 4.57 -1.96 -3.30 114.58 110.48 2joz h GLU 42 Ca -0.26 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 2joz h GLU 42 Cb 1.17 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 2joz h GLU 42 CO 0.37 -0.39 0.00 -3.47 -1.18 0.00 0.00 179.01 174.34 2joz n ASP 43 N -5.46 0.41 -4.54 1.04 2.03 -1.26 -4.90 116.55 103.88 2joz n ASP 43 Ca -0.06 -0.70 -0.26 0.00 0.52 0.00 0.00 54.79 54.28 2joz n ASP 43 Cb 0.38 0.56 -0.10 0.00 -0.72 0.00 0.00 41.12 41.25 2joz n ASP 43 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2joz s GLU 44 N -0.56 1.94 -0.20 -0.67 8.01 -1.25 -3.09 118.70 122.88 2joz s GLU 44 Ca 0.00 -1.36 0.00 0.00 0.01 0.00 0.00 54.97 53.63 2joz s GLU 44 Cb 0.00 -2.08 0.02 0.00 -4.31 0.00 0.00 34.13 27.77 2joz s GLU 44 CO 0.00 0.42 -0.15 0.08 0.01 0.00 0.00 175.26 175.62 2joz s VAL 45 N -1.78 2.37 -0.21 2.63 1.01 0.25 0.12 120.40 124.79 2joz s VAL 45 Ca 0.25 -0.97 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 2joz s VAL 45 Cb -0.08 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 2joz s VAL 45 CO 0.14 0.41 0.05 -0.69 0.00 0.00 0.00 175.10 175.02 2joz s VAL 46 N 1.30 4.43 -0.11 2.92 1.01 0.51 -0.16 120.40 130.30 2joz s VAL 46 Ca 0.03 -0.15 -0.14 0.00 0.00 0.00 0.00 61.98 61.72 2joz s VAL 46 Cb -0.15 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 2joz s VAL 46 CO -0.10 0.40 0.33 -1.61 0.00 0.00 0.00 175.10 174.12 2joz s GLU 47 N 1.03 4.10 -0.14 2.72 2.02 -1.26 -0.77 118.70 126.40 2joz s GLU 47 Ca 0.04 0.20 -0.00 0.00 0.02 0.00 0.00 54.97 55.22 2joz s GLU 47 Cb -0.14 -3.35 0.03 0.00 0.10 0.00 0.00 34.13 30.77 2joz s GLU 47 CO 0.03 0.40 -0.09 0.95 0.02 0.00 0.00 175.26 176.57 2joz s THR 48 N -0.05 1.23 -0.16 3.63 -4.23 -0.05 -0.68 115.64 115.33 2joz s THR 48 Ca 0.19 -0.51 -0.06 0.00 -1.18 0.00 0.00 61.69 60.13 2joz s THR 48 Cb -0.14 -1.26 -0.04 0.00 1.34 0.00 0.00 72.50 72.40 2joz s THR 48 CO 0.07 0.32 0.05 -1.61 -0.54 0.00 0.00 174.62 172.91 2joz s GLU 49 N 1.61 3.80 -0.41 3.99 2.02 -0.77 0.53 118.70 129.47 2joz s GLU 49 Ca 0.04 -0.35 -0.24 0.00 0.02 0.00 0.00 54.97 54.43 2joz s GLU 49 Cb -0.14 -3.13 0.02 0.00 0.10 0.00 0.00 34.13 30.98 2joz s GLU 49 CO -0.09 0.36 0.83 0.08 0.02 0.00 0.00 175.26 176.46 2joz s VAL 50 N 0.12 4.64 -0.21 2.63 1.01 0.62 -1.43 120.40 127.77 2joz s VAL 50 Ca 0.04 0.78 -0.03 0.00 0.00 0.00 0.00 61.98 62.77 2joz s VAL 50 Cb -0.12 -4.30 -0.00 0.00 0.00 0.00 0.00 36.38 31.96 2joz s VAL 50 CO 0.01 -0.60 -0.07 -0.04 0.00 0.00 0.00 175.10 174.40 2joz s MET 51 N 3.32 3.31 0.19 2.72 -1.94 0.05 -1.65 119.30 125.30 2joz s MET 51 Ca 0.33 -0.66 -0.32 0.00 -1.71 0.00 0.00 55.69 53.33 2joz s MET 51 Cb -0.12 -2.94 -0.12 0.00 2.01 0.00 0.00 34.83 33.66 2joz s MET 51 CO 0.20 -0.20 1.70 -0.85 -0.01 0.00 0.00 175.02 175.87 2joz n GLU 52 N 4.76 2.65 0.00 2.03 0.28 -1.15 -0.11 120.64 129.11 2joz n GLU 52 Ca -0.19 0.96 0.00 0.00 -0.16 0.00 0.00 57.16 57.77 2joz n GLU 52 Cb 0.51 -2.79 0.00 0.00 1.43 0.00 0.00 31.44 30.59 2joz n GLU 52 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2joz n GLY 53 N 3.88 3.34 0.44 -1.84 0.00 -1.26 -4.76 105.19 104.99 2joz n GLY 53 Ca 0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 2joz n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2joz n ARG 54 N -1.92 0.38 0.00 1.61 5.12 -0.09 -5.14 116.66 116.62 2joz n ARG 54 Ca 0.00 0.16 0.00 0.00 -1.93 0.00 0.00 57.85 56.08 2joz n ARG 54 Cb 0.00 -1.14 0.00 0.00 -1.16 0.00 0.00 32.46 30.16 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 1.91 0.04 3.66 -0.13 0.00 0.85 -4.94 105.19 106.58 2joz n GLY 55 Ca -0.32 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.28 2joz n GLY 55 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2joz s GLU 56 N 0.00 4.28 -0.24 1.61 2.02 -1.26 -0.77 118.70 124.34 2joz s GLU 56 Ca 0.00 1.23 -0.08 0.00 0.02 0.00 0.00 54.97 56.14 2joz s GLU 56 Cb 0.00 -3.61 -0.03 0.00 0.10 0.00 0.00 34.13 30.58 2joz s GLU 56 CO 0.00 -0.50 0.08 0.08 0.02 0.00 0.00 175.26 174.94 2joz s VAL 57 N 2.73 4.54 -0.27 2.63 1.01 -0.51 -4.90 120.40 125.63 2joz s VAL 57 Ca 0.42 -0.10 -0.26 0.00 0.00 0.00 0.00 61.98 62.05 2joz s VAL 57 Cb -0.16 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.11 2joz s VAL 57 CO 0.10 0.36 0.89 -1.10 0.00 0.00 0.00 175.10 175.34 2joz s GLN 58 N 1.34 4.12 0.39 2.72 -0.21 -1.26 -1.85 119.66 124.91 2joz s GLN 58 Ca 0.05 0.94 0.02 0.00 0.02 0.00 0.00 55.36 56.39 2joz s GLN 58 Cb -0.15 -3.68 -0.01 0.00 1.00 0.00 0.00 33.01 30.17 2joz s GLN 58 CO 0.04 -0.63 0.58 -0.51 -2.12 0.00 0.00 175.29 172.65 2joz s LEU 59 N 3.05 3.83 -0.36 2.90 1.43 0.14 -5.00 118.68 124.66 2joz s LEU 59 Ca 0.37 0.19 -0.43 0.00 -1.03 0.00 0.00 54.13 53.23 2joz s LEU 59 Cb -0.14 -3.07 -0.17 0.00 0.03 0.00 0.00 46.19 42.83 2joz s LEU 59 CO 0.10 -0.53 1.68 -2.65 0.23 0.00 0.00 176.35 175.17 2joz n PRO 60 N -1.89 0.68 -2.36 1.29 -0.02 -1.26 -4.30 135.00 127.15 2joz n PRO 60 Ca -0.01 0.25 -0.40 0.00 -2.02 0.00 0.00 63.50 61.33 2joz n PRO 60 Cb 0.57 -1.86 -0.03 0.00 -0.02 0.00 0.00 33.50 32.16 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 3.26 3.32 0.07 6.00 -0.71 -1.26 -4.67 117.98 123.98 2joz s PHE 61 Ca 1.01 1.60 0.02 0.00 -1.04 0.00 0.00 56.93 58.52 2joz s PHE 61 Cb -1.24 -3.39 -0.04 0.00 -1.21 0.00 0.00 43.02 37.14 2joz s PHE 61 CO 0.72 -1.03 0.12 -1.64 -1.34 0.00 0.00 175.22 172.05 2joz s MET 62 N -1.81 3.05 0.04 1.99 -1.94 0.78 -4.88 119.30 116.53 2joz s MET 62 Ca 0.49 -0.61 -0.15 0.00 -1.71 0.00 0.00 55.69 53.72 2joz s MET 62 Cb -0.33 -2.82 -0.06 0.00 2.01 0.00 0.00 34.83 33.63 2joz s MET 62 CO 0.42 0.58 0.45 0.00 -0.01 0.00 0.00 175.02 176.46 2joz s ALA 63 N -1.41 3.67 0.19 3.03 0.00 -1.26 0.88 121.76 126.86 2joz s ALA 63 Ca 0.31 -0.20 0.05 0.00 0.00 0.00 0.00 51.96 52.12 2joz s ALA 63 Cb -0.12 -2.42 -0.05 0.00 0.00 0.00 0.00 23.12 20.53 2joz s ALA 63 CO 0.23 0.48 -0.07 1.52 0.00 0.00 0.00 175.76 177.93 2joz s TYR 64 N -1.18 1.47 0.09 0.00 1.13 -1.18 -0.91 117.35 116.77 2joz s TYR 64 Ca 0.28 -0.79 0.02 0.00 -1.41 0.00 0.00 57.07 55.16 2joz s TYR 64 Cb -0.16 -0.78 -0.04 0.00 -1.10 0.00 0.00 41.96 39.87 2joz s TYR 64 CO 0.16 0.08 -0.07 -1.59 -2.51 0.00 0.00 175.55 171.62 2joz s LYS 65 N -3.78 0.81 -0.28 -3.49 -2.85 0.85 -4.93 119.74 106.07 2joz s LYS 65 Ca 0.22 -1.29 -0.09 0.00 -1.00 0.00 0.00 55.97 53.81 2joz s LYS 65 Cb 0.03 -0.21 -0.03 0.00 -2.06 0.00 0.00 37.83 35.57 2joz s LYS 65 CO 0.05 -0.01 0.13 0.08 0.10 0.00 0.00 175.35 175.70 2joz s VAL 66 N -3.45 4.71 -0.18 1.79 1.01 -1.26 -0.53 120.40 122.50 2joz s VAL 66 Ca 0.10 -0.16 -0.23 0.00 0.00 0.00 0.00 61.98 61.69 2joz s VAL 66 Cb 0.04 -3.29 -0.20 0.00 0.00 0.00 0.00 36.38 32.93 2joz s VAL 66 CO -0.04 0.22 0.40 0.40 0.00 0.00 0.00 175.10 176.07 2joz h ILE 67 N 5.53 1.18 -4.12 2.22 2.04 -0.96 -3.49 117.51 119.91 2joz h ILE 67 Ca -0.35 -2.16 -0.15 0.00 1.00 0.00 0.00 64.86 63.20 2joz h ILE 67 Cb 1.17 2.50 -0.15 0.00 -0.74 0.00 0.00 36.82 39.60 2joz h ILE 67 CO 0.58 0.40 -0.68 -0.44 0.00 0.00 0.00 178.15 178.01 2joz s SER 68 N -6.53 0.68 -0.11 1.72 0.01 -0.82 -4.98 113.70 103.67 2joz s SER 68 Ca -0.24 -1.01 -0.08 0.00 1.31 0.00 0.00 55.95 55.94 2joz s SER 68 Cb 0.02 0.17 0.04 0.00 0.21 0.00 0.00 66.02 66.46 2joz s SER 68 CO 0.59 -0.56 0.27 -1.58 0.41 0.00 0.00 173.24 172.37 2joz s GLN 69 N -3.90 0.27 -0.10 12.44 0.74 -1.26 -0.97 119.66 126.89 2joz s GLN 69 Ca 0.09 0.47 -0.02 0.00 0.05 0.00 0.00 55.36 55.94 2joz s GLN 69 Cb 0.07 0.03 0.04 0.00 1.10 0.00 0.00 33.01 34.25 2joz s GLN 69 CO -0.08 -0.10 0.04 0.45 -0.55 0.00 0.00 175.29 175.05 2joz s SER 70 N 0.69 1.79 0.60 6.67 0.15 0.78 -4.99 113.70 119.40 2joz s SER 70 Ca -0.05 -0.24 0.37 0.00 0.70 0.00 0.00 55.95 56.73 2joz s SER 70 Cb -0.06 -0.34 1.84 0.00 -1.71 0.00 0.00 66.02 65.75 2joz s SER 70 CO -0.04 -0.26 2.17 0.74 1.20 0.00 0.00 173.24 177.05 2joz h THR 71 N 6.41 0.11 -0.78 6.45 2.02 -2.01 -2.33 112.91 122.77 2joz h THR 71 Ca -0.16 -0.30 0.07 0.00 0.77 0.00 0.00 66.41 66.79 2joz h THR 71 Cb 1.13 1.26 -0.06 0.00 -1.74 0.00 0.00 68.15 68.74 2joz h THR 71 CO 0.24 0.02 0.46 -0.78 0.37 0.00 0.00 175.52 175.83 2joz h ASP 72 N 0.00 0.69 0.00 4.18 3.58 -2.05 -3.45 116.42 119.37 2joz h ASP 72 Ca -0.00 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2joz h ASP 72 Cb 0.26 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.20 2joz h ASP 72 CO 0.00 0.43 0.00 0.61 -2.88 0.00 0.00 179.24 177.40 2joz n GLY 73 N -1.31 0.00 3.42 -0.78 0.00 -0.91 -5.00 105.19 100.61 2joz n GLY 73 Ca 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 2joz n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2joz s SER 74 N 0.00 -0.54 -0.02 1.61 1.04 -1.03 -1.78 113.70 112.98 2joz s SER 74 Ca 0.00 1.00 0.03 0.00 0.48 0.00 0.00 55.95 57.46 2joz s SER 74 Cb 0.00 1.02 -0.00 0.00 0.10 0.00 0.00 66.02 67.13 2joz s SER 74 CO 0.00 -0.21 -0.12 -0.63 0.98 0.00 0.00 173.24 173.26 2joz s ILE 75 N 0.15 1.01 -0.20 -1.02 1.01 0.70 -0.16 121.20 122.69 2joz s ILE 75 Ca -0.01 -0.51 -0.04 0.00 0.00 0.00 0.00 60.65 60.09 2joz s ILE 75 Cb -0.04 -0.87 -0.02 0.00 0.01 0.00 0.00 42.46 41.55 2joz s ILE 75 CO 0.01 0.30 -0.03 -0.70 0.00 0.00 0.00 174.94 174.52 2joz s GLU 76 N -0.03 3.51 0.15 2.79 2.12 -0.14 -0.65 118.70 126.45 2joz s GLU 76 Ca -0.00 -0.57 0.06 0.00 0.36 0.00 0.00 54.97 54.81 2joz s GLU 76 Cb -0.08 -3.01 -0.04 0.00 0.26 0.00 0.00 34.13 31.26 2joz s GLU 76 CO 0.00 -0.05 -0.12 0.96 -0.54 0.00 0.00 175.26 175.51 2joz s ILE 77 N 1.12 1.37 0.05 -3.70 -4.36 -0.40 -0.26 121.20 115.01 2joz s ILE 77 Ca 0.02 -1.99 0.04 0.00 -0.26 0.00 0.00 60.65 58.45 2joz s ILE 77 Cb -0.15 -1.80 -0.02 0.00 1.25 0.00 0.00 42.46 41.74 2joz s ILE 77 CO 0.00 -0.61 -0.11 -1.58 0.24 0.00 0.00 174.94 172.88 2joz s GLN 78 N -3.39 0.73 0.21 0.37 0.74 0.31 -1.02 119.66 117.61 2joz s GLN 78 Ca 0.16 -0.76 0.03 0.00 0.05 0.00 0.00 55.36 54.84 2joz s GLN 78 Cb -0.01 -0.66 -0.03 0.00 1.10 0.00 0.00 33.01 33.41 2joz s GLN 78 CO 0.03 0.15 0.35 0.71 -0.55 0.00 0.00 175.29 175.98 2joz s TYR 79 N -1.06 3.47 0.55 1.67 2.02 -1.15 -0.10 117.35 122.74 2joz s TYR 79 Ca -0.03 0.10 0.04 0.00 -0.37 0.00 0.00 57.07 56.82 2joz s TYR 79 Cb -0.09 -1.67 0.03 0.00 -0.40 0.00 0.00 41.96 39.84 2joz s TYR 79 CO 0.01 0.44 0.32 -0.51 -1.57 0.00 0.00 175.55 174.24 2joz s LEU 80 N -3.65 2.54 0.00 -1.29 1.43 -0.09 -3.38 118.68 114.24 2joz s LEU 80 Ca 0.35 -1.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.07 2joz s LEU 80 Cb -0.10 -1.02 0.00 0.00 0.03 0.00 0.00 46.19 45.09 2joz s LEU 80 CO 0.29 -1.10 0.00 0.61 0.23 0.00 0.00 176.35 176.38 2joz n GLY 81 N -1.69 -0.08 0.08 -3.19 0.00 -1.26 -3.14 105.19 95.90 2joz n GLY 81 Ca -0.06 -1.00 0.05 0.00 0.00 0.00 0.00 46.02 45.01 2joz n GLY 81 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2joz n PRO 82 N 0.00 0.06 -0.75 1.61 -0.02 -1.26 -1.00 135.00 133.65 2joz n PRO 82 Ca 0.00 0.55 0.06 0.00 -2.02 0.00 0.00 63.50 62.10 2joz n PRO 82 Cb 0.00 -1.74 0.35 0.00 -0.02 0.00 0.00 33.50 32.08 2joz n PRO 82 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2joz n TYR 83 N -1.84 1.71 -0.59 6.00 4.01 -1.19 -4.98 117.16 120.28 2joz n TYR 83 Ca -0.01 -0.84 -0.19 0.00 -0.16 0.00 0.00 57.90 56.71 2joz n TYR 83 Cb 0.04 -0.46 0.17 0.00 -0.31 0.00 0.00 39.34 38.78 2joz n TYR 83 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 2joz n TYR 84 N 0.13 -3.41 0.00 -0.72 9.36 -0.17 -2.93 117.16 119.42 2joz n TYR 84 Ca 0.27 -0.58 0.00 0.00 3.32 0.00 0.00 57.90 60.90 2joz n TYR 84 Cb 1.11 -0.74 0.00 0.00 -0.63 0.00 0.00 39.34 39.08 2joz n TYR 84 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 2joz n PRO 85 N -3.90 0.00 -2.26 2.98 -0.02 -1.26 -4.86 135.00 125.68 2joz n PRO 85 Ca 0.09 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.14 2joz n PRO 85 Cb 0.37 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.83 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 4.01 0.65 2.45 2.96 -1.15 -4.97 118.68 122.62 2joz s LEU 86 Ca 0.00 1.60 -0.06 0.00 -0.22 0.00 0.00 54.13 55.44 2joz s LEU 86 Cb 0.00 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.19 2joz s LEU 86 CO 0.00 -1.06 0.96 -0.54 -1.32 0.00 0.00 176.35 174.40 2joz s LYS 87 N 4.19 2.56 -0.08 1.98 1.02 -1.26 -2.95 119.74 125.20 2joz s LYS 87 Ca 0.64 -0.11 -0.15 0.00 0.02 0.00 0.00 55.97 56.37 2joz s LYS 87 Cb -0.23 -2.21 0.03 0.00 -0.52 0.00 0.00 37.83 34.90 2joz s LYS 87 CO 0.24 -0.98 0.36 0.45 -0.92 0.00 0.00 175.35 174.51 2joz s SER 88 N -4.41 -0.32 0.00 2.83 0.15 -0.19 -4.16 113.70 107.61 2joz s SER 88 Ca 0.57 0.45 0.08 0.00 0.70 0.00 0.00 55.95 57.75 2joz s SER 88 Cb -0.11 0.55 -0.02 0.00 -1.71 0.00 0.00 66.02 64.73 2joz s SER 88 CO 0.45 -0.30 -0.23 -0.89 1.20 0.00 0.00 173.24 173.47 2joz s THR 89 N -0.57 1.85 -0.17 6.45 2.01 0.50 -1.27 115.64 124.44 2joz s THR 89 Ca -0.07 -1.09 -0.00 0.00 0.31 0.00 0.00 61.69 60.84 2joz s THR 89 Cb -0.04 -1.56 -0.00 0.00 0.01 0.00 0.00 72.50 70.92 2joz s THR 89 CO 0.03 0.44 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.50 2joz s LEU 90 N -0.77 2.52 0.25 4.42 1.43 0.18 0.30 118.68 127.01 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 -0.09 -1.59 -0.05 0.00 0.03 0.00 0.00 46.19 44.49 2joz s LEU 90 CO 0.00 0.06 -0.01 -0.54 0.23 0.00 0.00 176.35 176.09 2joz s LYS 91 N 0.97 1.41 0.42 1.70 1.02 0.01 -0.22 119.74 125.05 2joz s LYS 91 Ca -0.02 -1.72 -0.22 0.00 0.02 0.00 0.00 55.97 54.02 2joz s LYS 91 Cb -0.15 -0.75 -0.10 0.00 -0.52 0.00 0.00 37.83 36.31 2joz s LYS 91 CO -0.02 -0.08 1.00 -0.98 -0.92 0.00 0.00 175.35 174.36 2joz s ARG 92 N -3.84 4.15 0.47 1.68 1.70 -0.73 0.28 118.95 122.66 2joz s ARG 92 Ca 0.29 1.34 0.08 0.00 -0.47 0.00 0.00 55.73 56.98 2joz s ARG 92 Cb 0.06 -2.36 0.03 0.00 -0.57 0.00 0.00 34.95 32.10 2joz s ARG 92 CO 0.10 -0.13 0.57 0.20 -1.08 0.00 0.00 175.30 174.97 2joz s GLY 93 N -1.85 1.97 0.00 3.88 0.00 0.41 -4.59 107.32 107.14 2joz s GLY 93 Ca 0.60 -1.81 0.25 0.00 0.00 0.00 0.00 44.72 43.76 2joz s GLY 93 CO 0.21 -1.63 1.39 1.18 0.00 0.00 0.00 173.10 174.25 2joz n GLU 94 N -1.88 1.54 -0.92 2.90 1.02 -1.26 -4.13 120.64 117.91 2joz n GLU 94 Ca 0.08 -1.14 0.05 0.00 -0.02 0.00 0.00 57.16 56.13 2joz n GLU 94 Cb 0.61 -1.48 0.11 0.00 -0.02 0.00 0.00 31.44 30.66 2joz n GLU 94 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2joz n ASN 95 N 0.27 1.34 -2.32 1.62 4.13 -1.26 -4.95 115.26 114.09 2joz n ASN 95 Ca 0.13 -2.92 -0.10 0.00 1.68 0.00 0.00 54.58 53.38 2joz n ASN 95 Cb 0.45 -0.40 0.05 0.00 -1.54 0.00 0.00 39.78 38.34 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 -0.39 0.01 3.44 7.41 0.00 -1.26 -5.05 105.19 109.35 2joz n GLY 96 Ca 0.12 -0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.19 0.73 -0.07 2.61 -4.23 -1.26 -4.88 115.64 105.34 2joz s THR 97 Ca 0.03 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.59 2joz s THR 97 Cb -0.01 -2.55 -0.01 0.00 1.34 0.00 0.00 72.50 71.26 2joz s THR 97 CO 0.40 0.00 -0.23 -0.22 -0.54 0.00 0.00 174.62 174.03 2joz s LEU 98 N -3.49 2.18 -0.32 4.79 2.96 -1.25 -0.44 118.68 123.11 2joz s LEU 98 Ca 0.32 -0.48 -0.14 0.00 -0.22 0.00 0.00 54.13 53.60 2joz s LEU 98 Cb 0.06 -1.42 -0.02 0.00 0.50 0.00 0.00 46.19 45.31 2joz s LEU 98 CO 0.15 0.23 0.32 -0.63 -1.32 0.00 0.00 176.35 175.10 2joz s ILE 99 N -0.05 5.21 -0.39 6.68 -1.09 0.14 -2.42 121.20 129.29 2joz s ILE 99 Ca -0.07 0.11 -0.16 0.00 -2.23 0.00 0.00 60.65 58.30 2joz s ILE 99 Cb -0.15 -3.74 0.01 0.00 -1.58 0.00 0.00 42.46 37.00 2joz s ILE 99 CO 0.05 0.01 0.41 0.86 -1.23 0.00 0.00 174.94 175.04 2joz s TRP 100 N 1.94 3.19 -0.15 3.97 -0.00 0.24 -0.81 118.94 127.32 2joz s TRP 100 Ca 0.11 -0.20 -0.05 0.00 -0.00 0.00 0.00 56.10 55.95 2joz s TRP 100 Cb -0.16 -2.80 -0.04 0.00 -0.00 0.00 0.00 33.47 30.46 2joz s TRP 100 CO 0.11 -0.58 0.04 -2.00 -0.00 0.00 0.00 176.95 174.52 2joz s GLU 101 N 2.10 3.64 -0.15 5.86 2.12 0.15 0.07 118.70 132.48 2joz s GLU 101 Ca 0.12 -0.37 -0.08 0.00 0.36 0.00 0.00 54.97 55.01 2joz s GLU 101 Cb -0.17 -3.06 0.06 0.00 0.26 0.00 0.00 34.13 31.22 2joz s GLU 101 CO 0.13 0.42 0.35 -1.14 -0.54 0.00 0.00 175.26 174.48 2joz s GLN 102 N -0.08 0.32 -1.81 4.30 -0.44 -0.55 -0.37 119.66 121.03 2joz s GLN 102 Ca 0.05 0.71 0.00 0.00 -2.50 0.00 0.00 55.36 53.63 2joz s GLN 102 Cb -0.12 -0.04 0.00 0.00 -1.64 0.00 0.00 33.01 31.21 2joz s GLN 102 CO 0.01 -0.17 0.00 0.09 0.50 0.00 0.00 175.29 175.72 2joz n ASN 103 N 4.35 -5.18 0.00 6.67 3.02 -1.26 -0.95 115.26 121.90 2joz n ASN 103 Ca -0.23 0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 2joz n ASN 103 Cb 0.54 -4.26 0.00 0.00 -0.61 0.00 0.00 39.78 35.45 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 -0.84 2.06 3.86 7.41 0.00 -1.26 -5.02 105.19 111.41 2joz n GLY 104 Ca -0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.26 3.84 -0.32 1.61 -0.21 -0.13 -5.05 119.66 119.14 2joz s GLN 105 Ca 0.00 0.29 -0.12 0.00 0.02 0.00 0.00 55.36 55.55 2joz s GLN 105 Cb 0.00 -2.94 -0.03 0.00 1.00 0.00 0.00 33.01 31.05 2joz s GLN 105 CO 0.00 0.51 0.21 0.50 -2.12 0.00 0.00 175.29 174.39 2joz s ARG 106 N -2.03 3.63 -0.16 2.91 3.52 -1.26 -1.49 118.95 124.07 2joz s ARG 106 Ca 0.36 -0.54 -0.06 0.00 -0.13 0.00 0.00 55.73 55.36 2joz s ARG 106 Cb -0.14 -3.73 -0.04 0.00 -1.56 0.00 0.00 34.95 29.49 2joz s ARG 106 CO 0.19 -0.35 0.06 0.15 -0.81 0.00 0.00 175.30 174.54 2joz s LYS 107 N 1.72 3.74 -0.22 5.12 -0.14 0.11 -5.00 119.74 125.06 2joz s LYS 107 Ca 0.06 -0.34 -0.10 0.00 -1.36 0.00 0.00 55.97 54.24 2joz s LYS 107 Cb -0.17 -3.13 -0.05 0.00 -1.68 0.00 0.00 37.83 32.81 2joz s LYS 107 CO 0.10 0.41 0.13 -0.08 -0.76 0.00 0.00 175.35 175.15 2joz s THR 108 N -0.01 5.22 0.04 2.17 -1.32 -1.26 -0.59 115.64 119.89 2joz s THR 108 Ca 0.06 0.13 0.08 0.00 -1.21 0.00 0.00 61.69 60.74 2joz s THR 108 Cb -0.12 -3.41 -0.03 0.00 -1.51 0.00 0.00 72.50 67.42 2joz s THR 108 CO 0.01 0.38 -0.21 -0.04 -2.21 0.00 0.00 174.62 172.55 2joz s MET 109 N 0.82 1.99 0.27 7.08 -1.94 -1.01 -4.48 119.30 122.04 2joz s MET 109 Ca 0.07 -1.02 0.02 0.00 -1.71 0.00 0.00 55.69 53.05 2joz s MET 109 Cb -0.13 -2.11 -0.03 0.00 2.01 0.00 0.00 34.83 34.56 2joz s MET 109 CO 0.02 0.53 0.44 0.99 -0.01 0.00 0.00 175.02 177.00 2joz s THR 110 N -0.86 5.18 -0.24 2.05 2.01 0.67 -3.77 115.64 120.68 2joz s THR 110 Ca 0.13 -0.62 -0.15 0.00 0.31 0.00 0.00 61.69 61.36 2joz s THR 110 Cb -0.10 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 2joz s THR 110 CO 0.04 -0.39 0.38 -0.60 -0.69 0.00 0.00 174.62 173.36 2joz s ARG 111 N -3.96 4.07 0.45 4.92 3.52 -1.26 0.38 118.95 127.07 2joz s ARG 111 Ca 0.37 0.10 -0.23 0.00 -0.13 0.00 0.00 55.73 55.85 2joz s ARG 111 Cb -0.10 -3.61 -0.08 0.00 -1.56 0.00 0.00 34.95 29.60 2joz s ARG 111 CO 0.32 -0.19 1.12 0.42 -0.81 0.00 0.00 175.30 176.17 2joz s ILE 112 N 1.79 3.32 -1.03 4.11 -1.09 -0.93 -4.91 121.20 122.46 2joz s ILE 112 Ca 0.16 0.98 -0.15 0.00 -2.23 0.00 0.00 60.65 59.41 2joz s ILE 112 Cb -0.15 -3.49 0.17 0.00 -1.58 0.00 0.00 42.46 37.41 2joz s ILE 112 CO 0.09 -0.02 1.18 -1.61 -1.23 0.00 0.00 174.94 173.35 2joz s GLU 113 N -2.69 3.83 -0.06 2.79 2.02 -1.26 -4.72 118.70 118.62 2joz s GLU 113 Ca 0.62 -2.30 -0.04 0.00 0.02 0.00 0.00 54.97 53.27 2joz s GLU 113 Cb -0.26 -4.86 0.02 0.00 0.10 0.00 0.00 34.13 29.13 2joz s GLU 113 CO 0.32 -1.65 0.09 0.45 0.02 0.00 0.00 175.26 174.48 2joz n SER 114 N 5.47 -4.26 -3.95 -0.19 2.88 -1.26 -4.80 113.62 107.51 2joz n SER 114 Ca 0.27 1.16 -0.42 0.00 -1.33 0.00 0.00 58.87 58.54 2joz n SER 114 Cb 0.46 -4.03 -0.00 0.00 -0.75 0.00 0.00 64.21 59.89 2joz n SER 114 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2joz n LYS 115 N 1.26 2.92 -2.76 -1.46 4.81 -1.26 -4.89 118.16 116.79 2joz n LYS 115 Ca -0.15 -2.77 -0.43 0.00 -0.87 0.00 0.00 58.31 54.10 2joz n LYS 115 Cb 0.23 -3.34 -0.03 0.00 0.02 0.00 0.00 35.03 31.91 2joz n LYS 115 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 2joz s THR 116 N 3.50 4.31 0.00 3.15 2.01 -1.26 -4.50 115.64 122.85 2joz s THR 116 Ca 0.49 -0.97 0.00 0.00 0.31 0.00 0.00 61.69 61.52 2joz s THR 116 Cb 0.11 -4.88 0.00 0.00 0.01 0.00 0.00 72.50 67.75 2joz s THR 116 CO -0.04 -1.68 0.00 0.61 -0.69 0.00 0.00 174.62 172.82 2joz n GLY 117 N 5.96 -0.59 3.33 4.40 0.00 -1.26 -5.11 105.19 111.92 2joz n GLY 117 Ca 0.22 0.26 -0.46 0.00 0.00 0.00 0.00 46.02 46.04 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 3.07 -0.47 1.61 3.52 -1.26 -4.91 118.95 120.52 2joz s ARG 118 Ca 0.00 -1.69 0.07 0.00 -0.13 0.00 0.00 55.73 53.98 2joz s ARG 118 Cb 0.00 -4.31 0.19 0.00 -1.56 0.00 0.00 34.95 29.26 2joz s ARG 118 CO 0.00 -1.39 0.70 -2.00 -0.81 0.00 0.00 175.30 171.80 2joz s GLU 119 N 1.75 0.93 -0.07 5.12 2.12 -1.26 -5.12 118.70 122.17 2joz s GLU 119 Ca 0.07 -0.68 -0.00 0.00 0.36 0.00 0.00 54.97 54.71 2joz s GLU 119 Cb -0.26 0.02 0.03 0.00 0.26 0.00 0.00 34.13 34.17 2joz s GLU 119 CO 0.02 -1.23 -0.03 -1.21 -0.54 0.00 0.00 175.26 172.28 2joz s GLU 120 N 1.32 0.83 0.18 4.30 0.41 -1.26 -5.13 118.70 119.35 2joz s GLU 120 Ca 0.23 -0.02 -0.30 0.00 -0.41 0.00 0.00 54.97 54.47 2joz s GLU 120 Cb -0.01 -1.02 -0.08 0.00 -1.78 0.00 0.00 34.13 31.23 2joz s GLU 120 CO -0.06 -0.22 1.22 -1.59 -0.49 0.00 0.00 175.26 174.12 2joz s LYS 121 N 1.57 4.47 -0.02 1.61 -2.85 -1.26 -5.00 119.74 118.26 2joz s LYS 121 Ca -0.01 1.91 -0.27 0.00 -1.00 0.00 0.00 55.97 56.60 2joz s LYS 121 Cb -0.13 -3.23 -0.03 0.00 -2.06 0.00 0.00 37.83 32.37 2joz s LYS 121 CO -0.04 -0.13 0.87 0.34 0.10 0.00 0.00 175.35 176.49 2joz s ASP 122 N 0.20 7.22 -0.29 0.03 2.15 -1.26 -5.01 116.67 119.70 2joz s ASP 122 Ca 0.54 1.48 0.01 0.00 0.43 0.00 0.00 52.55 55.01 2joz s ASP 122 Cb -0.33 -2.51 0.19 0.00 -0.30 0.00 0.00 42.92 39.97 2joz s ASP 122 CO 0.37 -0.19 0.64 -0.70 -0.17 0.00 0.00 175.17 175.12 2joz s GLU 123 N 0.86 0.52 -0.03 4.34 2.12 -1.26 -5.15 118.70 120.11 2joz s GLU 123 Ca 0.46 0.70 0.01 0.00 0.36 0.00 0.00 54.97 56.50 2joz s GLU 123 Cb -0.20 0.36 0.02 0.00 0.26 0.00 0.00 34.13 34.58 2joz s GLU 123 CO 0.24 -0.79 -0.01 -1.59 -0.54 0.00 0.00 175.26 172.57 2joz s LYS 124 N 2.86 0.42 0.58 4.30 -2.85 -1.26 -5.15 119.74 118.63 2joz s LYS 124 Ca 0.15 0.01 0.08 0.00 -1.00 0.00 0.00 55.97 55.21 2joz s LYS 124 Cb -0.12 -0.54 0.07 0.00 -2.06 0.00 0.00 37.83 35.19 2joz s LYS 124 CO -0.23 -0.10 0.64 0.45 0.10 0.00 0.00 175.35 176.21 2joz s SER 125 N 0.87 4.84 -0.10 0.03 0.15 -1.26 -5.13 113.70 113.09 2joz s SER 125 Ca -0.09 -1.08 -0.04 0.00 0.70 0.00 0.00 55.95 55.43 2joz s SER 125 Cb -0.13 0.48 0.05 0.00 -1.71 0.00 0.00 66.02 64.72 2joz s SER 125 CO -0.01 -1.30 0.21 -0.75 1.20 0.00 0.00 173.24 172.58 2joz s LYS 126 N -4.53 0.10 0.02 5.44 2.20 -1.26 -5.14 119.74 116.57 2joz s LYS 126 Ca 0.49 0.64 -0.20 0.00 -0.36 0.00 0.00 55.97 56.54 2joz s LYS 126 Cb -0.04 -0.15 -0.06 0.00 -1.51 0.00 0.00 37.83 36.07 2joz s LYS 126 CO 0.31 -0.28 0.57 -1.54 -0.36 0.00 0.00 175.35 174.05 2joz s SER 127 N 2.24 6.98 -0.16 1.43 1.04 -1.26 -5.07 113.70 118.91 2joz s SER 127 Ca 0.01 1.17 -0.08 0.00 0.48 0.00 0.00 55.95 57.53 2joz s SER 127 Cb -0.12 -2.35 0.06 0.00 0.10 0.00 0.00 66.02 63.71 2joz s SER 127 CO -0.07 0.17 0.37 -1.48 0.98 0.00 0.00 173.24 173.20 2joz s LEU 128 N -0.50 -0.10 -0.32 2.42 2.34 -1.26 -5.11 118.68 116.15 2joz s LEU 128 Ca 0.30 0.82 -0.01 0.00 0.06 0.00 0.00 54.13 55.29 2joz s LEU 128 Cb -0.18 1.19 0.13 0.00 -0.56 0.00 0.00 46.19 46.76 2joz s LEU 128 CO 0.17 -0.20 0.22 -1.61 -1.06 0.00 0.00 176.35 173.87 2joz s GLU 129 N 1.63 0.40 -0.60 1.48 2.02 -1.26 -5.08 118.70 117.30 2joz s GLU 129 Ca -0.08 -0.82 0.00 0.00 0.02 0.00 0.00 54.97 54.10 2joz s GLU 129 Cb -0.10 -1.08 0.15 0.00 0.10 0.00 0.00 34.13 33.20 2joz s GLU 129 CO -0.12 -1.12 0.39 -3.38 0.02 0.00 0.00 175.26 171.05 2joz s HIS 130 N 1.66 3.34 -0.04 1.61 -3.43 -1.26 -5.04 115.29 112.12 2joz s HIS 130 Ca 0.14 -2.96 0.01 0.00 -0.80 0.00 0.00 55.06 51.45 2joz s HIS 130 Cb -0.18 -3.02 0.02 0.00 -1.43 0.00 0.00 32.58 27.97 2joz s HIS 130 CO -0.18 -0.78 -0.04 -1.58 -2.00 0.00 0.00 174.74 170.17 2joz s HIS 131 N -0.31 0.72 0.06 0.38 5.04 -1.26 -5.14 115.29 114.77 2joz s HIS 131 Ca 0.18 -0.19 0.05 0.00 -1.54 0.00 0.00 55.06 53.56 2joz s HIS 131 Cb -0.21 -0.65 -0.03 0.00 0.04 0.00 0.00 32.58 31.73 2joz s HIS 131 CO -0.03 -0.19 -0.15 -3.38 -2.34 0.00 0.00 174.74 168.65 2joz s HIS 132 N 0.92 1.29 -0.12 3.88 -3.43 -1.26 -5.14 115.29 111.43 2joz s HIS 132 Ca -0.11 -0.40 -0.05 0.00 -0.80 0.00 0.00 55.06 53.70 2joz s HIS 132 Cb -0.14 -0.75 -0.04 0.00 -1.43 0.00 0.00 32.58 30.22 2joz s HIS 132 CO 0.00 0.06 0.07 -3.38 -2.00 0.00 0.00 174.74 169.49 2joz s HIS 133 N -1.04 3.36 0.00 0.38 -3.43 -1.26 -4.88 115.29 108.42 2joz s HIS 133 Ca 0.01 0.31 0.00 0.00 -0.80 0.00 0.00 55.06 54.57 2joz s HIS 133 Cb -0.09 -1.92 0.00 0.00 -1.43 0.00 0.00 32.58 29.14 2joz s HIS 133 CO 0.02 0.51 0.00 1.58 -2.00 0.00 0.00 174.74 174.85 2joz n HIS 134 N 2.39 0.00 -1.59 0.38 -0.00 -1.26 -5.38 115.22 109.77 2joz n HIS 134 Ca -0.19 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.99 2joz n HIS 134 Cb 0.54 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.41 2joz n HIS 134 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41