#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2joz s ILE 2 N 0.00 3.96 -0.91 1.12 1.10 -1.26 -4.96 121.20 120.25 2joz s ILE 2 Ca 0.00 1.33 -0.24 0.00 -0.51 0.00 0.00 60.65 61.22 2joz s ILE 2 Cb 0.00 -3.60 0.02 0.00 0.15 0.00 0.00 42.46 39.04 2joz s ILE 2 CO 0.00 -0.16 1.53 -0.04 -2.11 0.00 0.00 174.94 174.16 2joz s MET 3 N -2.92 3.25 -0.29 3.50 -1.94 -1.26 -4.94 119.30 114.69 2joz s MET 3 Ca 0.62 -0.64 -0.03 0.00 -1.71 0.00 0.00 55.69 53.93 2joz s MET 3 Cb -0.16 -4.97 0.04 0.00 2.01 0.00 0.00 34.83 31.75 2joz s MET 3 CO 0.20 -2.44 0.00 0.54 -0.01 0.00 0.00 175.02 173.32 2joz s VAL 4 N 6.35 3.13 -0.56 -6.03 0.11 -1.26 -5.07 120.40 117.08 2joz s VAL 4 Ca 0.49 -1.20 -0.27 0.00 -2.93 0.00 0.00 61.98 58.07 2joz s VAL 4 Cb -0.04 -2.73 0.03 0.00 -1.53 0.00 0.00 36.38 32.12 2joz s VAL 4 CO -0.00 -0.02 1.13 -0.44 -3.33 0.00 0.00 175.10 172.44 2joz s SER 5 N 1.31 6.45 0.23 3.54 0.01 -1.26 -4.96 113.70 119.02 2joz s SER 5 Ca -0.03 0.07 -0.15 0.00 1.31 0.00 0.00 55.95 57.15 2joz s SER 5 Cb -0.19 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.52 2joz s SER 5 CO -0.01 -1.39 0.51 -0.83 0.41 0.00 0.00 173.24 171.93 2joz s GLY 6 N 2.85 0.24 -1.07 3.44 0.00 -1.26 -5.09 107.32 106.43 2joz s GLY 6 Ca 0.41 -0.58 -0.22 0.00 0.00 0.00 0.00 44.72 44.33 2joz s GLY 6 CO 0.25 -0.45 1.49 0.00 0.00 0.00 0.00 173.10 174.39 2joz s GLN 8 N 4.66 1.09 -0.10 0.00 -0.21 -1.26 -5.12 119.66 118.73 2joz s GLN 8 Ca 0.47 -0.24 -0.04 0.00 0.02 0.00 0.00 55.36 55.56 2joz s GLN 8 Cb 0.00 -1.59 0.05 0.00 1.00 0.00 0.00 33.01 32.47 2joz s GLN 8 CO -0.06 -0.38 0.22 1.14 -2.12 0.00 0.00 175.29 174.09 2joz s GLN 9 N 1.79 0.16 -0.44 2.91 1.03 -1.26 -5.12 119.66 118.73 2joz s GLN 9 Ca 0.03 0.52 -0.25 0.00 0.04 0.00 0.00 55.36 55.69 2joz s GLN 9 Cb -0.14 -0.14 0.02 0.00 0.03 0.00 0.00 33.01 32.79 2joz s GLN 9 CO -0.07 -0.19 0.92 -1.14 -2.54 0.00 0.00 175.29 172.27 2joz s GLN 10 N 1.43 3.61 0.00 9.60 0.74 -1.26 -4.70 119.66 129.08 2joz s GLN 10 Ca -0.07 0.25 0.00 0.00 0.05 0.00 0.00 55.36 55.59 2joz s GLN 10 Cb -0.11 -3.90 0.00 0.00 1.10 0.00 0.00 33.01 30.11 2joz s GLN 10 CO -0.08 -1.15 0.00 1.17 -0.55 0.00 0.00 175.29 174.68 2joz n LYS 11 N 7.05 0.00 -3.63 1.67 4.81 -1.26 -4.60 118.16 122.20 2joz n LYS 11 Ca 0.06 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.43 2joz n LYS 11 Cb 0.48 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.47 2joz n LYS 11 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2joz s GLU 12 N 0.00 0.36 0.01 1.64 2.12 -1.26 -5.12 118.70 116.45 2joz s GLU 12 Ca 0.00 0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.63 2joz s GLU 12 Cb 0.00 0.17 0.00 0.00 0.26 0.00 0.00 34.13 34.57 2joz s GLU 12 CO 0.00 -0.07 0.01 0.39 -0.54 0.00 0.00 175.26 175.05 2joz n GLU 13 N 1.52 1.22 -3.09 4.30 -0.58 -1.26 -5.12 120.64 117.63 2joz n GLU 13 Ca -0.10 -0.07 -0.31 0.00 -0.42 0.00 0.00 57.16 56.26 2joz n GLU 13 Cb 0.57 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.39 2joz n GLU 13 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 2joz s THR 14 N 0.47 4.76 -0.12 2.62 -1.32 -1.26 -4.99 115.64 115.81 2joz s THR 14 Ca 0.01 0.74 -0.32 0.00 -1.21 0.00 0.00 61.69 60.90 2joz s THR 14 Cb -0.00 -3.66 -0.10 0.00 -1.51 0.00 0.00 72.50 67.23 2joz s THR 14 CO 0.01 -0.29 2.00 -2.65 -2.21 0.00 0.00 174.62 171.48 2joz n PRO 15 N -0.68 2.16 0.24 7.08 -0.02 -1.26 -4.86 135.00 137.66 2joz n PRO 15 Ca 0.03 0.75 0.08 0.00 -2.02 0.00 0.00 63.50 62.33 2joz n PRO 15 Cb 0.53 -2.81 0.58 0.00 -0.02 0.00 0.00 33.50 31.78 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 10.97 0.00 -0.01 6.00 -0.00 -1.94 -1.39 116.94 130.57 2joz h PHE 16 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.52 2joz h PHE 16 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.22 2joz h PHE 16 CO 0.92 0.16 -0.03 2.48 -0.00 0.00 0.00 178.31 181.84 2joz n TYR 17 N -4.13 0.00 -2.46 6.09 4.11 -1.26 -4.83 117.16 114.67 2joz n TYR 17 Ca -0.02 0.00 -0.42 0.00 -0.00 0.00 0.00 57.90 57.45 2joz n TYR 17 Cb 0.24 -0.05 -0.03 0.00 -0.00 0.00 0.00 39.34 39.50 2joz n TYR 17 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.86 176.39 2joz s TYR 18 N -2.13 3.22 -3.24 -3.48 5.04 -0.53 -4.54 117.35 111.69 2joz s TYR 18 Ca 0.39 1.23 0.00 0.00 -2.44 0.00 0.00 57.07 56.25 2joz s TYR 18 Cb 0.21 -3.41 0.00 0.00 0.35 0.00 0.00 41.96 39.11 2joz s TYR 18 CO 0.39 -1.28 0.00 0.41 -1.34 0.00 0.00 175.55 173.73 2joz n GLY 19 N 3.34 0.78 3.50 8.97 0.00 -1.13 -4.99 105.19 115.66 2joz n GLY 19 Ca 0.11 -1.97 -0.34 0.00 0.00 0.00 0.00 46.02 43.82 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 -2.07 3.69 -0.03 2.61 2.01 -1.26 -1.53 115.64 119.06 2joz s THR 20 Ca 0.00 -0.44 0.06 0.00 0.31 0.00 0.00 61.69 61.62 2joz s THR 20 Cb 0.00 -2.58 -0.01 0.00 0.01 0.00 0.00 72.50 69.92 2joz s THR 20 CO 0.00 0.53 -0.21 0.26 -0.69 0.00 0.00 174.62 174.50 2joz s TRP 21 N 0.06 2.01 -0.20 4.92 0.52 0.14 -3.15 118.94 123.24 2joz s TRP 21 Ca -0.01 -0.48 -0.08 0.00 0.02 0.00 0.00 56.10 55.55 2joz s TRP 21 Cb -0.14 -1.31 -0.04 0.00 -1.15 0.00 0.00 33.47 30.83 2joz s TRP 21 CO 0.03 -0.11 0.07 0.34 0.02 0.00 0.00 176.95 177.31 2joz s ASP 22 N -0.30 5.60 -1.17 2.95 2.15 -1.14 -1.21 116.67 123.55 2joz s ASP 22 Ca 0.03 0.04 -0.09 0.00 0.43 0.00 0.00 52.55 52.96 2joz s ASP 22 Cb -0.10 -1.97 0.24 0.00 -0.30 0.00 0.00 42.92 40.78 2joz s ASP 22 CO 0.01 0.14 1.43 -0.62 -0.17 0.00 0.00 175.17 175.96 2joz n GLU 23 N 3.79 3.73 -0.50 4.34 1.02 -1.08 -3.50 120.64 128.44 2joz n GLU 23 Ca -0.16 -4.14 -0.01 0.00 -0.02 0.00 0.00 57.16 52.83 2joz n GLU 23 Cb 0.52 -2.74 0.00 0.00 -0.02 0.00 0.00 31.44 29.20 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 2.76 2.55 3.49 0.62 0.00 -1.26 -4.45 105.19 108.89 2joz n GLY 24 Ca 0.31 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.07 1.02 0.20 1.61 3.52 -1.26 -5.15 118.95 118.82 2joz s ARG 25 Ca 0.01 -0.39 0.00 0.00 -0.13 0.00 0.00 55.73 55.22 2joz s ARG 25 Cb 0.01 0.46 0.00 0.00 -1.56 0.00 0.00 34.95 33.86 2joz s ARG 25 CO -0.00 -0.45 0.00 0.00 -0.81 0.00 0.00 175.30 174.04 2joz n ALA 26 N -0.31 -1.37 -1.77 6.12 0.00 -1.26 -4.93 120.51 117.00 2joz n ALA 26 Ca -0.11 0.17 -0.40 0.00 0.00 0.00 0.00 53.44 53.09 2joz n ALA 26 Cb 0.63 -0.84 -0.02 0.00 0.00 0.00 0.00 19.45 19.22 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 -4.86 4.30 0.00 0.00 0.02 -1.26 -4.85 135.00 128.35 2joz s PRO 27 Ca 0.00 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.18 2joz s PRO 27 Cb 0.00 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.51 2joz s PRO 27 CO 0.00 -0.21 0.00 0.41 -0.33 0.00 0.00 177.00 176.87 2joz n GLY 28 N 0.79 -0.44 3.40 0.52 0.00 -1.22 -4.98 105.19 103.26 2joz n GLY 28 Ca 0.01 -1.75 -0.32 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.78 -0.85 0.21 1.61 -0.02 -1.26 -4.87 135.00 129.03 2joz n PRO 29 Ca 0.00 -0.21 0.08 0.00 -2.02 0.00 0.00 63.50 61.35 2joz n PRO 29 Cb 0.00 -1.87 0.41 0.00 -0.02 0.00 0.00 33.50 32.02 2joz n PRO 29 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2joz h THR 30 N -1.82 0.71 0.00 3.45 2.02 -1.97 -3.22 112.91 112.09 2joz h THR 30 Ca -0.48 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 65.43 2joz h THR 30 Cb 1.31 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 69.53 2joz h THR 30 CO 0.37 0.28 0.00 0.47 0.37 0.00 0.00 175.52 177.01 2joz n ASP 31 N -3.48 0.21 0.00 4.18 8.00 -1.26 -4.70 116.55 119.50 2joz n ASP 31 Ca -0.00 -1.22 0.00 0.00 0.71 0.00 0.00 54.79 54.28 2joz n ASP 31 Cb 0.45 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 2joz n ASP 31 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2joz n GLY 32 N 0.14 1.26 3.76 0.44 0.00 -1.22 -5.04 105.19 104.53 2joz n GLY 32 Ca 0.00 -0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.00 4.94 0.09 1.61 1.01 -1.22 -3.97 120.40 120.86 2joz s VAL 33 Ca 0.00 1.22 -0.17 0.00 0.00 0.00 0.00 61.98 63.04 2joz s VAL 33 Cb 0.00 -3.92 -0.09 0.00 0.00 0.00 0.00 36.38 32.37 2joz s VAL 33 CO 0.00 0.40 1.44 0.11 0.00 0.00 0.00 175.10 177.06 2joz h LYS 34 N 5.77 0.57 -1.83 2.72 1.79 -1.47 -3.32 116.57 120.79 2joz h LYS 34 Ca -0.45 -0.25 0.33 0.00 -2.18 0.00 0.00 60.65 58.09 2joz h LYS 34 Cb 1.20 -0.01 -0.09 0.00 -1.58 0.00 0.00 32.23 31.75 2joz h LYS 34 CO 0.70 0.82 0.85 -1.54 -1.08 0.00 0.00 179.45 179.21 2joz s SER 35 N -6.27 -0.02 0.17 0.86 1.04 -1.25 -3.46 113.70 104.77 2joz s SER 35 Ca -0.13 -0.20 0.10 0.00 0.48 0.00 0.00 55.95 56.20 2joz s SER 35 Cb 0.08 0.17 -0.04 0.00 0.10 0.00 0.00 66.02 66.33 2joz s SER 35 CO 0.79 -0.33 -0.22 0.00 0.98 0.00 0.00 173.24 174.46 2joz s ALA 36 N -2.21 2.27 0.01 5.32 0.00 -1.26 -1.75 121.76 124.14 2joz s ALA 36 Ca 0.22 -1.54 0.08 0.00 0.00 0.00 0.00 51.96 50.72 2joz s ALA 36 Cb 0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 2joz s ALA 36 CO -0.02 0.35 -0.25 0.95 0.00 0.00 0.00 175.76 176.80 2joz s THR 37 N -1.75 2.21 -0.13 0.00 -4.23 0.13 -2.62 115.64 109.26 2joz s THR 37 Ca 0.17 -1.21 -0.01 0.00 -1.18 0.00 0.00 61.69 59.47 2joz s THR 37 Cb -0.07 -1.82 -0.02 0.00 1.34 0.00 0.00 72.50 71.92 2joz s THR 37 CO 0.08 0.47 -0.10 0.54 -0.54 0.00 0.00 174.62 175.07 2joz s VAL 38 N -0.72 3.36 -0.20 2.29 0.11 -0.35 -0.41 120.40 124.48 2joz s VAL 38 Ca 0.11 -0.56 -0.01 0.00 -2.93 0.00 0.00 61.98 58.59 2joz s VAL 38 Cb -0.10 -2.42 0.01 0.00 -1.53 0.00 0.00 36.38 32.34 2joz s VAL 38 CO 0.01 0.53 -0.14 -0.89 -3.33 0.00 0.00 175.10 171.28 2joz s THR 39 N 0.16 2.59 -0.31 5.04 2.01 0.16 -0.68 115.64 124.61 2joz s THR 39 Ca -0.05 -0.76 -0.11 0.00 0.31 0.00 0.00 61.69 61.08 2joz s THR 39 Cb -0.15 -2.13 -0.02 0.00 0.01 0.00 0.00 72.50 70.21 2joz s THR 39 CO 0.04 0.49 0.20 -0.36 -0.69 0.00 0.00 174.62 174.30 2joz s PHE 40 N 1.36 3.21 0.46 4.92 0.08 -0.58 -0.79 117.98 126.64 2joz s PHE 40 Ca 0.05 -0.22 0.07 0.00 0.12 0.00 0.00 56.93 56.96 2joz s PHE 40 Cb -0.14 -2.41 0.07 0.00 -0.57 0.00 0.00 43.02 39.98 2joz s PHE 40 CO -0.09 -0.33 0.59 0.25 -0.10 0.00 0.00 175.22 175.55 2joz n THR 41 N 5.05 0.00 -0.21 0.64 -2.24 -0.22 -2.85 114.28 114.46 2joz n THR 41 Ca -0.14 -1.59 -0.00 0.00 -2.27 0.00 0.00 64.05 60.05 2joz n THR 41 Cb 0.50 -0.52 0.11 0.00 -2.10 0.00 0.00 70.33 68.32 2joz n THR 41 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2joz h GLU 42 N 0.00 0.44 0.00 -0.78 4.81 -2.02 -3.32 114.58 113.71 2joz h GLU 42 Ca -0.23 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 2joz h GLU 42 Cb 1.01 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.29 2joz h GLU 42 CO 0.33 0.29 -0.24 -3.47 -0.73 0.00 0.00 179.01 175.20 2joz n ASP 43 N -4.96 1.19 -4.31 1.04 2.03 -1.26 -5.08 116.55 105.21 2joz n ASP 43 Ca 0.09 -0.22 -0.21 0.00 0.52 0.00 0.00 54.79 54.97 2joz n ASP 43 Cb 0.26 0.67 -0.11 0.00 -0.72 0.00 0.00 41.12 41.22 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 -0.91 1.20 -0.14 -0.67 2.02 -1.25 -2.62 118.70 116.33 2joz s GLU 44 Ca 0.00 -1.35 -0.02 0.00 0.02 0.00 0.00 54.97 53.61 2joz s GLU 44 Cb 0.00 -1.22 -0.02 0.00 0.10 0.00 0.00 34.13 32.98 2joz s GLU 44 CO 0.00 0.25 -0.06 0.08 0.02 0.00 0.00 175.26 175.54 2joz s VAL 45 N -2.03 3.67 -0.16 2.63 1.01 0.22 -1.05 120.40 124.69 2joz s VAL 45 Ca 0.13 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.68 2joz s VAL 45 Cb -0.06 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.74 2joz s VAL 45 CO 0.06 0.51 -0.17 -0.69 0.00 0.00 0.00 175.10 174.80 2joz s VAL 46 N 0.27 2.42 -0.07 2.92 1.01 0.03 -0.32 120.40 126.65 2joz s VAL 46 Ca -0.05 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 60.96 2joz s VAL 46 Cb -0.14 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 2joz s VAL 46 CO 0.04 0.52 0.31 -1.61 0.00 0.00 0.00 175.10 174.35 2joz s GLU 47 N 0.99 3.86 -0.17 2.72 2.02 -1.26 -0.67 118.70 126.19 2joz s GLU 47 Ca -0.02 0.19 0.01 0.00 0.02 0.00 0.00 54.97 55.16 2joz s GLU 47 Cb -0.15 -3.26 0.02 0.00 0.10 0.00 0.00 34.13 30.85 2joz s GLU 47 CO -0.04 0.61 -0.17 0.99 0.02 0.00 0.00 175.26 176.67 2joz s THR 48 N -0.71 1.84 -0.21 3.63 2.01 0.45 -0.67 115.64 121.98 2joz s THR 48 Ca 0.20 -0.81 -0.10 0.00 0.31 0.00 0.00 61.69 61.29 2joz s THR 48 Cb -0.14 -1.69 -0.05 0.00 0.01 0.00 0.00 72.50 70.63 2joz s THR 48 CO 0.09 0.50 0.13 -1.61 -0.69 0.00 0.00 174.62 173.03 2joz s GLU 49 N 1.38 4.12 -0.37 4.92 2.02 0.37 0.22 118.70 131.35 2joz s GLU 49 Ca 0.05 -0.26 -0.14 0.00 0.02 0.00 0.00 54.97 54.64 2joz s GLU 49 Cb -0.13 -3.42 0.00 0.00 0.10 0.00 0.00 34.13 30.68 2joz s GLU 49 CO -0.12 0.22 0.28 0.08 0.02 0.00 0.00 175.26 175.74 2joz s VAL 50 N 0.57 5.27 -0.05 2.63 1.01 -0.71 -0.33 120.40 128.78 2joz s VAL 50 Ca 0.07 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 61.68 2joz s VAL 50 Cb -0.12 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 2joz s VAL 50 CO 0.00 -0.16 -0.19 -0.32 0.00 0.00 0.00 175.10 174.43 2joz s MET 51 N 1.72 2.50 0.05 2.72 1.75 -0.80 -1.14 119.30 126.11 2joz s MET 51 Ca 0.06 -0.79 -0.34 0.00 -1.25 0.00 0.00 55.69 53.37 2joz s MET 51 Cb -0.18 -2.28 -0.13 0.00 2.84 0.00 0.00 34.83 35.08 2joz s MET 51 CO 0.10 0.52 1.68 0.39 -0.65 0.00 0.00 175.02 177.07 2joz n GLU 52 N 2.57 2.09 0.00 4.11 -0.58 -1.25 -1.31 120.64 126.26 2joz n GLU 52 Ca -0.17 0.76 0.00 0.00 -0.42 0.00 0.00 57.16 57.33 2joz n GLU 52 Cb 0.52 -2.55 0.00 0.00 -0.57 0.00 0.00 31.44 28.84 2joz n GLU 52 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2joz n GLY 53 N 3.75 2.95 0.00 0.62 0.00 -1.26 -4.83 105.19 106.43 2joz n GLY 53 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2joz n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2joz n ARG 54 N -0.37 0.00 0.00 1.61 5.12 -0.43 -5.13 116.66 117.46 2joz n ARG 54 Ca 0.00 0.08 0.00 0.00 -1.93 0.00 0.00 57.85 56.00 2joz n ARG 54 Cb 0.00 -0.40 0.00 0.00 -1.16 0.00 0.00 32.46 30.90 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 2.14 0.40 3.72 -0.13 0.00 -0.76 -4.99 105.19 105.57 2joz n GLY 55 Ca 0.00 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.10 4.60 -0.18 1.61 8.01 -1.26 -1.90 118.70 128.48 2joz s GLU 56 Ca 0.00 1.44 0.00 0.00 0.01 0.00 0.00 54.97 56.42 2joz s GLU 56 Cb 0.00 -3.43 0.01 0.00 -4.31 0.00 0.00 34.13 26.40 2joz s GLU 56 CO 0.00 0.02 -0.17 0.08 0.01 0.00 0.00 175.26 175.20 2joz s VAL 57 N 0.71 2.33 -0.17 2.63 1.01 0.55 -4.94 120.40 122.53 2joz s VAL 57 Ca 0.51 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 61.46 2joz s VAL 57 Cb -0.22 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 2joz s VAL 57 CO 0.29 0.52 0.47 -1.10 0.00 0.00 0.00 175.10 175.27 2joz s GLN 58 N 1.27 4.24 0.42 2.72 -0.21 -1.26 -0.48 119.66 126.36 2joz s GLN 58 Ca 0.04 0.36 -0.05 0.00 0.02 0.00 0.00 55.36 55.73 2joz s GLN 58 Cb -0.14 -3.51 -0.04 0.00 1.00 0.00 0.00 33.01 30.33 2joz s GLN 58 CO -0.10 -0.00 0.72 -0.51 -2.12 0.00 0.00 175.29 173.28 2joz s LEU 59 N 1.16 3.77 0.14 2.90 1.43 0.15 -5.02 118.68 123.22 2joz s LEU 59 Ca 0.23 0.86 -0.34 0.00 -1.03 0.00 0.00 54.13 53.85 2joz s LEU 59 Cb -0.15 -3.77 -0.16 0.00 0.03 0.00 0.00 46.19 42.14 2joz s LEU 59 CO 0.09 -0.46 1.28 -2.65 0.23 0.00 0.00 176.35 174.85 2joz n PRO 60 N -1.86 1.29 -1.73 1.29 -0.02 -1.26 -4.47 135.00 128.23 2joz n PRO 60 Ca -0.00 0.46 -0.42 0.00 -2.02 0.00 0.00 63.50 61.52 2joz n PRO 60 Cb 0.55 -2.05 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 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 0.17 2.66 -0.26 6.00 -0.12 -1.26 -4.76 117.98 120.41 2joz s PHE 61 Ca 0.78 0.23 -0.09 0.00 -0.05 0.00 0.00 56.93 57.80 2joz s PHE 61 Cb -0.87 -4.15 -0.04 0.00 -0.63 0.00 0.00 43.02 37.34 2joz s PHE 61 CO 0.49 -4.47 0.12 -1.64 -0.05 0.00 0.00 175.22 169.67 2joz s MET 62 N 1.70 3.80 0.02 1.99 -1.94 0.56 -4.88 119.30 120.54 2joz s MET 62 Ca 0.77 -0.40 -0.30 0.00 -1.71 0.00 0.00 55.69 54.04 2joz s MET 62 Cb -0.48 -3.47 -0.05 0.00 2.01 0.00 0.00 34.83 32.84 2joz s MET 62 CO 0.33 -0.17 1.23 0.00 -0.01 0.00 0.00 175.02 176.41 2joz s ALA 63 N 1.63 3.45 0.19 3.03 0.00 -1.26 0.72 121.76 129.51 2joz s ALA 63 Ca 0.07 0.79 0.09 0.00 0.00 0.00 0.00 51.96 52.91 2joz s ALA 63 Cb -0.15 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 2joz s ALA 63 CO 0.07 -0.60 -0.10 1.52 0.00 0.00 0.00 175.76 176.66 2joz s TYR 64 N 1.57 2.62 0.07 0.00 1.13 -1.08 -2.11 117.35 119.55 2joz s TYR 64 Ca 0.59 -0.23 0.07 0.00 -1.41 0.00 0.00 57.07 56.08 2joz s TYR 64 Cb -0.28 -1.27 -0.03 0.00 -1.10 0.00 0.00 41.96 39.28 2joz s TYR 64 CO 0.27 0.53 -0.18 0.15 -2.51 0.00 0.00 175.55 173.80 2joz s LYS 65 N -2.91 1.12 -0.35 -3.49 1.02 0.50 -4.83 119.74 110.79 2joz s LYS 65 Ca 0.25 -0.98 -0.15 0.00 0.02 0.00 0.00 55.97 55.12 2joz s LYS 65 Cb -0.08 -1.25 -0.01 0.00 -0.52 0.00 0.00 37.83 35.97 2joz s LYS 65 CO 0.15 0.30 0.34 0.08 -0.92 0.00 0.00 175.35 175.31 2joz s VAL 66 N -1.00 5.19 -0.13 3.17 1.01 -1.26 -0.09 120.40 127.28 2joz s VAL 66 Ca 0.05 -0.07 -0.17 0.00 0.00 0.00 0.00 61.98 61.79 2joz s VAL 66 Cb -0.09 -3.82 -0.15 0.00 0.00 0.00 0.00 36.38 32.31 2joz s VAL 66 CO 0.03 -0.11 0.40 0.40 0.00 0.00 0.00 175.10 175.82 2joz h ILE 67 N 5.55 1.01 -3.82 2.22 2.04 -0.71 -3.48 117.51 120.31 2joz h ILE 67 Ca -0.30 -1.80 -0.33 0.00 1.00 0.00 0.00 64.86 63.44 2joz h ILE 67 Cb 1.14 1.95 -0.19 0.00 -0.74 0.00 0.00 36.82 38.98 2joz h ILE 67 CO 0.69 0.34 -0.74 -0.44 0.00 0.00 0.00 178.15 178.00 2joz s SER 68 N -6.02 1.38 -0.06 1.72 0.01 -0.95 -4.98 113.70 104.79 2joz s SER 68 Ca -0.13 -0.72 -0.12 0.00 1.31 0.00 0.00 55.95 56.28 2joz s SER 68 Cb -0.01 0.00 0.02 0.00 0.21 0.00 0.00 66.02 66.25 2joz s SER 68 CO 0.42 -0.22 0.29 -1.58 0.41 0.00 0.00 173.24 172.57 2joz s GLN 69 N -2.35 0.51 0.03 12.44 0.74 -1.26 -0.99 119.66 128.77 2joz s GLN 69 Ca 0.01 0.08 0.03 0.00 0.05 0.00 0.00 55.36 55.53 2joz s GLN 69 Cb -0.06 0.23 -0.02 0.00 1.10 0.00 0.00 33.01 34.27 2joz s GLN 69 CO 0.00 -0.11 -0.10 0.45 -0.55 0.00 0.00 175.29 174.98 2joz s SER 70 N -0.63 1.18 0.44 6.67 0.15 -0.95 -4.96 113.70 115.61 2joz s SER 70 Ca -0.07 -0.40 0.24 0.00 0.70 0.00 0.00 55.95 56.42 2joz s SER 70 Cb -0.04 -0.06 0.91 0.00 -1.71 0.00 0.00 66.02 65.13 2joz s SER 70 CO 0.02 -0.03 1.82 0.71 1.20 0.00 0.00 173.24 176.96 2joz h THR 71 N 4.62 0.51 -0.72 6.45 1.35 -2.00 -3.40 112.91 119.71 2joz h THR 71 Ca -0.35 -1.11 0.01 0.00 -0.55 0.00 0.00 66.41 64.41 2joz h THR 71 Cb 1.19 1.77 -0.18 0.00 -1.73 0.00 0.00 68.15 69.20 2joz h THR 71 CO 0.44 0.21 -0.33 -0.62 -0.25 0.00 0.00 175.52 174.97 2joz s ASP 72 N -6.16 -1.11 0.00 5.36 2.15 -1.26 -4.92 116.67 110.73 2joz s ASP 72 Ca 0.01 -0.57 0.00 0.00 0.43 0.00 0.00 52.55 52.42 2joz s ASP 72 Cb 0.10 1.42 0.00 0.00 -0.30 0.00 0.00 42.92 44.13 2joz s ASP 72 CO 0.63 -0.12 0.00 0.61 -0.17 0.00 0.00 175.17 176.12 2joz n GLY 73 N 4.14 -2.32 3.19 2.66 0.00 -1.26 -5.14 105.19 106.46 2joz n GLY 73 Ca 0.09 0.80 -0.10 0.00 0.00 0.00 0.00 46.02 46.81 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 0.05 -0.02 1.61 0.15 -1.26 -4.37 113.70 111.85 2joz s SER 74 Ca 0.00 -0.43 0.02 0.00 0.70 0.00 0.00 55.95 56.24 2joz s SER 74 Cb 0.00 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 2joz s SER 74 CO 0.00 -0.60 -0.08 -0.63 1.20 0.00 0.00 173.24 173.13 2joz s ILE 75 N -2.89 0.67 -0.19 6.45 1.01 0.58 -2.24 121.20 124.59 2joz s ILE 75 Ca -0.03 -0.30 -0.00 0.00 0.00 0.00 0.00 60.65 60.32 2joz s ILE 75 Cb 0.00 -0.60 0.01 0.00 0.01 0.00 0.00 42.46 41.89 2joz s ILE 75 CO -0.06 0.21 -0.16 -0.70 0.00 0.00 0.00 174.94 174.24 2joz s GLU 76 N 0.20 3.05 0.21 2.79 2.12 -0.16 -0.51 118.70 126.39 2joz s GLU 76 Ca -0.03 -0.80 0.10 0.00 0.36 0.00 0.00 54.97 54.60 2joz s GLU 76 Cb -0.08 -2.69 -0.05 0.00 0.26 0.00 0.00 34.13 31.58 2joz s GLU 76 CO 0.00 -0.22 -0.19 0.96 -0.54 0.00 0.00 175.26 175.27 2joz s ILE 77 N 1.33 2.05 0.03 -3.70 -4.36 -0.41 0.07 121.20 116.20 2joz s ILE 77 Ca 0.05 -2.13 0.04 0.00 -0.26 0.00 0.00 60.65 58.35 2joz s ILE 77 Cb -0.14 -2.05 -0.02 0.00 1.25 0.00 0.00 42.46 41.51 2joz s ILE 77 CO -0.10 -0.37 -0.13 -1.58 0.24 0.00 0.00 174.94 173.00 2joz s GLN 78 N -3.15 0.90 0.25 0.37 0.74 0.87 0.06 119.66 119.71 2joz s GLN 78 Ca 0.22 -0.66 -0.02 0.00 0.05 0.00 0.00 55.36 54.94 2joz s GLN 78 Cb -0.05 -0.89 -0.05 0.00 1.10 0.00 0.00 33.01 33.13 2joz s GLN 78 CO 0.09 0.22 0.47 0.71 -0.55 0.00 0.00 175.29 176.24 2joz s TYR 79 N -0.72 3.48 0.42 1.67 2.02 -1.19 -0.37 117.35 122.66 2joz s TYR 79 Ca 0.02 0.47 0.04 0.00 -0.37 0.00 0.00 57.07 57.23 2joz s TYR 79 Cb -0.07 -1.96 0.04 0.00 -0.40 0.00 0.00 41.96 39.57 2joz s TYR 79 CO 0.01 0.27 0.36 1.28 -1.57 0.00 0.00 175.55 175.90 2joz n LEU 80 N -0.85 0.00 0.00 -1.29 4.77 -0.90 -3.81 117.00 114.92 2joz n LEU 80 Ca -0.03 -2.13 0.00 0.00 -0.03 0.00 0.00 56.01 53.81 2joz n LEU 80 Cb 0.54 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 2joz n LEU 80 CO 0.48 -0.53 0.00 0.61 -1.33 0.00 0.00 177.39 176.62 2joz n GLY 81 N -0.09 -0.78 0.19 -0.72 0.00 -1.26 -3.74 105.19 98.80 2joz n GLY 81 Ca 0.01 -1.34 0.14 0.00 0.00 0.00 0.00 46.02 44.83 2joz n GLY 81 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2joz h PRO 82 N 0.00 0.00 -1.00 1.61 0.11 -2.03 -2.21 132.00 128.48 2joz h PRO 82 Ca 0.00 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.57 2joz h PRO 82 Cb 0.00 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 30.80 2joz h PRO 82 CO 0.00 0.00 0.68 0.66 -0.21 0.00 0.00 178.00 179.13 2joz n TYR 83 N -2.45 3.08 -0.38 0.65 4.01 -1.25 -4.98 117.16 115.85 2joz n TYR 83 Ca -0.01 -1.98 -0.29 0.00 -0.16 0.00 0.00 57.90 55.46 2joz n TYR 83 Cb 0.12 -1.01 0.28 0.00 -0.31 0.00 0.00 39.34 38.42 2joz n TYR 83 CO 0.00 0.00 0.00 2.48 -0.46 0.00 0.00 176.86 178.88 2joz n TYR 84 N -1.11 -2.29 0.00 -0.72 4.11 -0.83 -3.11 117.16 113.20 2joz n TYR 84 Ca 0.60 -0.42 0.00 0.00 -0.00 0.00 0.00 57.90 58.08 2joz n TYR 84 Cb 1.55 -1.55 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 2joz n TYR 84 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.86 174.56 2joz n PRO 85 N -5.26 0.00 -1.99 -3.48 -0.02 -1.26 -4.84 135.00 118.15 2joz n PRO 85 Ca 0.06 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.14 2joz n PRO 85 Cb 0.56 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 34.02 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 3.39 0.47 2.45 2.96 -1.18 -4.94 118.68 121.83 2joz s LEU 86 Ca 0.00 0.80 0.08 0.00 -0.22 0.00 0.00 54.13 54.79 2joz s LEU 86 Cb 0.00 -2.95 0.01 0.00 0.50 0.00 0.00 46.19 43.75 2joz s LEU 86 CO 0.00 -2.12 0.47 -1.59 -1.32 0.00 0.00 176.35 171.79 2joz s LYS 87 N 6.52 2.46 0.05 1.98 -2.85 -1.26 -3.17 119.74 123.47 2joz s LYS 87 Ca 0.74 -1.63 -0.01 0.00 -1.00 0.00 0.00 55.97 54.08 2joz s LYS 87 Cb -0.17 -2.40 -0.04 0.00 -2.06 0.00 0.00 37.83 33.17 2joz s LYS 87 CO 0.27 -0.40 -0.03 0.45 0.10 0.00 0.00 175.35 175.73 2joz s SER 88 N -4.27 0.52 0.02 0.03 0.15 0.11 -3.92 113.70 106.35 2joz s SER 88 Ca 0.48 -0.92 0.09 0.00 0.70 0.00 0.00 55.95 56.29 2joz s SER 88 Cb -0.04 0.17 -0.03 0.00 -1.71 0.00 0.00 66.02 64.42 2joz s SER 88 CO 0.29 -0.54 -0.25 -0.89 1.20 0.00 0.00 173.24 173.04 2joz s THR 89 N -3.50 2.18 -0.05 6.45 2.01 0.15 -1.29 115.64 121.58 2joz s THR 89 Ca 0.04 -1.27 0.02 0.00 0.31 0.00 0.00 61.69 60.79 2joz s THR 89 Cb 0.05 -1.82 0.01 0.00 0.01 0.00 0.00 72.50 70.75 2joz s THR 89 CO -0.08 0.44 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.43 2joz s LEU 90 N -1.03 1.58 0.14 4.42 1.43 0.34 -0.65 118.68 124.90 2joz s LEU 90 Ca 0.11 -0.24 -0.06 0.00 -1.03 0.00 0.00 54.13 52.91 2joz s LEU 90 Cb -0.10 -0.69 -0.02 0.00 0.03 0.00 0.00 46.19 45.41 2joz s LEU 90 CO 0.01 0.02 0.20 -0.54 0.23 0.00 0.00 176.35 176.26 2joz s LYS 91 N 0.66 1.05 0.18 1.70 1.02 -0.56 -0.31 119.74 123.47 2joz s LYS 91 Ca -0.12 -1.24 0.01 0.00 0.02 0.00 0.00 55.97 54.64 2joz s LYS 91 Cb -0.15 0.33 -0.04 0.00 -0.52 0.00 0.00 37.83 37.45 2joz s LYS 91 CO 0.02 -0.35 0.34 -0.98 -0.92 0.00 0.00 175.35 173.46 2joz s ARG 92 N -3.98 3.48 0.00 1.68 1.70 -1.26 0.50 118.95 121.06 2joz s ARG 92 Ca 0.18 -0.48 0.00 0.00 -0.47 0.00 0.00 55.73 54.96 2joz s ARG 92 Cb 0.05 -2.90 0.00 0.00 -0.57 0.00 0.00 34.95 31.53 2joz s ARG 92 CO -0.01 0.46 0.00 0.41 -1.08 0.00 0.00 175.30 175.08 2joz n GLY 93 N -0.63 1.67 0.11 3.88 0.00 0.58 -4.76 105.19 106.04 2joz n GLY 93 Ca -0.06 -1.89 -0.16 0.00 0.00 0.00 0.00 46.02 43.91 2joz n GLY 93 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2joz h GLU 94 N 0.00 0.23 0.00 1.61 4.81 -2.00 -3.46 114.58 115.77 2joz h GLU 94 Ca 0.00 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 2joz h GLU 94 Cb 0.00 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.45 2joz h GLU 94 CO 0.00 0.96 0.00 0.09 -0.73 0.00 0.00 179.01 179.33 2joz n ASN 95 N -4.44 0.00 -2.23 1.04 3.02 -1.26 -4.92 115.26 106.47 2joz n ASN 95 Ca -0.10 -0.05 -0.13 0.00 -0.03 0.00 0.00 54.58 54.28 2joz n ASN 95 Cb 0.54 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.59 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 5.00 2.83 3.40 7.41 0.00 -1.26 -4.84 105.19 117.73 2joz n GLY 96 Ca 0.00 -1.05 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 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 1.49 2.58 -0.14 2.61 -4.23 -1.26 -1.59 115.64 115.10 2joz s THR 97 Ca 0.57 -1.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.01 2joz s THR 97 Cb 0.25 -1.99 -0.04 0.00 1.34 0.00 0.00 72.50 72.06 2joz s THR 97 CO -0.01 0.52 0.08 -0.22 -0.54 0.00 0.00 174.62 174.46 2joz s LEU 98 N -0.86 4.01 -0.43 4.79 2.96 0.12 -0.31 118.68 128.96 2joz s LEU 98 Ca 0.12 0.25 -0.17 0.00 -0.22 0.00 0.00 54.13 54.11 2joz s LEU 98 Cb -0.10 -1.98 0.03 0.00 0.50 0.00 0.00 46.19 44.63 2joz s LEU 98 CO 0.01 0.30 0.41 -0.63 -1.32 0.00 0.00 176.35 175.12 2joz s ILE 99 N -0.40 5.13 -0.33 6.68 -1.09 0.18 -1.48 121.20 129.90 2joz s ILE 99 Ca 0.10 -0.54 -0.08 0.00 -2.23 0.00 0.00 60.65 57.90 2joz s ILE 99 Cb -0.12 -4.05 0.02 0.00 -1.58 0.00 0.00 42.46 36.74 2joz s ILE 99 CO 0.02 -0.45 0.12 0.86 -1.23 0.00 0.00 174.94 174.26 2joz s TRP 100 N 1.99 3.21 -0.15 3.97 -0.00 0.03 -1.50 118.94 126.50 2joz s TRP 100 Ca 0.09 -1.12 -0.04 0.00 -0.00 0.00 0.00 56.10 55.03 2joz s TRP 100 Cb -0.19 -2.31 -0.03 0.00 -0.00 0.00 0.00 33.47 30.94 2joz s TRP 100 CO 0.12 -0.64 -0.00 -1.21 -0.00 0.00 0.00 176.95 175.21 2joz s GLU 101 N 1.48 3.64 -0.19 5.86 2.02 0.17 0.23 118.70 131.92 2joz s GLU 101 Ca 0.01 -0.45 -0.06 0.00 0.02 0.00 0.00 54.97 54.49 2joz s GLU 101 Cb -0.18 -2.98 0.09 0.00 0.10 0.00 0.00 34.13 31.16 2joz s GLU 101 CO 0.04 0.33 0.37 -1.14 0.02 0.00 0.00 175.26 174.88 2joz s GLN 102 N 0.15 0.28 0.00 1.61 -0.44 -0.01 0.32 119.66 121.57 2joz s GLN 102 Ca 0.01 0.87 0.00 0.00 -2.50 0.00 0.00 55.36 53.74 2joz s GLN 102 Cb -0.13 0.09 0.00 0.00 -1.64 0.00 0.00 33.01 31.33 2joz s GLN 102 CO 0.02 -0.33 0.00 -1.71 0.50 0.00 0.00 175.29 173.77 2joz n ASN 103 N 5.38 0.00 0.00 6.67 5.15 -1.25 -1.07 115.26 130.13 2joz n ASN 103 Ca -0.07 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.91 2joz n ASN 103 Cb 0.50 -1.03 0.00 0.00 -0.53 0.00 0.00 39.78 38.71 2joz n ASN 103 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2joz n GLY 104 N -2.00 0.94 3.58 8.20 0.00 -1.26 -5.13 105.19 109.53 2joz n GLY 104 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2joz n GLY 104 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2joz s GLN 105 N 0.00 3.25 -0.22 1.61 -2.07 -0.23 -5.10 119.66 116.90 2joz s GLN 105 Ca 0.00 -0.48 -0.09 0.00 -1.82 0.00 0.00 55.36 52.97 2joz s GLN 105 Cb 0.00 -2.81 -0.05 0.00 -1.09 0.00 0.00 33.01 29.06 2joz s GLN 105 CO 0.00 0.49 0.12 0.50 -1.32 0.00 0.00 175.29 175.08 2joz s ARG 106 N -0.31 4.03 -0.15 9.60 3.52 -1.26 -0.83 118.95 133.54 2joz s ARG 106 Ca 0.06 -0.30 0.01 0.00 -0.13 0.00 0.00 55.73 55.36 2joz s ARG 106 Cb -0.12 -3.40 0.00 0.00 -1.56 0.00 0.00 34.95 29.87 2joz s ARG 106 CO 0.02 0.15 -0.18 0.15 -0.81 0.00 0.00 175.30 174.63 2joz s LYS 107 N 0.77 3.12 -0.36 5.12 1.02 0.14 -4.98 119.74 124.56 2joz s LYS 107 Ca 0.06 -0.80 -0.17 0.00 0.02 0.00 0.00 55.97 55.08 2joz s LYS 107 Cb -0.13 -2.55 -0.00 0.00 -0.52 0.00 0.00 37.83 34.63 2joz s LYS 107 CO 0.02 -0.01 0.46 0.99 -0.92 0.00 0.00 175.35 175.88 2joz s THR 108 N 0.86 5.06 0.12 2.17 2.01 -1.26 -0.79 115.64 123.81 2joz s THR 108 Ca -0.05 0.12 0.08 0.00 0.31 0.00 0.00 61.69 62.15 2joz s THR 108 Cb -0.15 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 2joz s THR 108 CO -0.02 -0.24 -0.20 0.00 -0.69 0.00 0.00 174.62 173.48 2joz s MET 109 N 2.26 1.16 0.17 4.92 0.23 -0.55 -4.88 119.30 122.60 2joz s MET 109 Ca 0.16 -1.23 0.03 0.00 -1.03 0.00 0.00 55.69 53.62 2joz s MET 109 Cb -0.16 -1.37 -0.03 0.00 -1.53 0.00 0.00 34.83 31.74 2joz s MET 109 CO 0.13 0.31 0.30 0.99 -2.03 0.00 0.00 175.02 174.71 2joz s THR 110 N -1.40 5.29 0.13 3.16 2.01 -1.23 0.14 115.64 123.73 2joz s THR 110 Ca 0.09 -0.77 -0.20 0.00 0.31 0.00 0.00 61.69 61.12 2joz s THR 110 Cb -0.09 -3.76 -0.07 0.00 0.01 0.00 0.00 72.50 68.59 2joz s THR 110 CO 0.05 -0.15 0.65 -0.60 -0.69 0.00 0.00 174.62 173.88 2joz s ARG 111 N -3.40 4.28 0.46 4.92 3.52 -0.62 -2.90 118.95 125.20 2joz s ARG 111 Ca 0.34 0.84 -0.22 0.00 -0.13 0.00 0.00 55.73 56.56 2joz s ARG 111 Cb -0.11 -3.14 -0.08 0.00 -1.56 0.00 0.00 34.95 30.06 2joz s ARG 111 CO 0.28 0.56 1.09 0.42 -0.81 0.00 0.00 175.30 176.85 2joz s ILE 112 N -1.24 3.47 -0.48 4.11 -1.09 -1.19 -4.94 121.20 119.84 2joz s ILE 112 Ca 0.34 1.04 -0.28 0.00 -2.23 0.00 0.00 60.65 59.52 2joz s ILE 112 Cb -0.19 -3.50 0.01 0.00 -1.58 0.00 0.00 42.46 37.20 2joz s ILE 112 CO 0.21 -0.07 1.49 -1.83 -1.23 0.00 0.00 174.94 173.51 2joz s GLU 113 N -2.83 3.36 -0.16 2.79 1.03 -1.26 -4.84 118.70 116.79 2joz s GLU 113 Ca 0.64 0.77 0.17 0.00 0.03 0.00 0.00 54.97 56.58 2joz s GLU 113 Cb -0.23 -4.12 0.77 0.00 -0.80 0.00 0.00 34.13 29.75 2joz s GLU 113 CO 0.28 -1.85 1.68 0.43 -1.33 0.00 0.00 175.26 174.47 2joz n SER 114 N 9.63 5.15 -0.42 0.83 7.64 -1.26 -4.24 113.62 130.95 2joz n SER 114 Ca 0.16 -2.62 0.01 0.00 1.01 0.00 0.00 58.87 57.44 2joz n SER 114 Cb 0.49 -0.62 0.02 0.00 -1.01 0.00 0.00 64.21 63.08 2joz n SER 114 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2joz n LYS 115 N 0.98 0.17 -3.46 1.43 2.85 -1.26 -5.01 118.16 113.86 2joz n LYS 115 Ca 0.27 -1.16 -0.43 0.00 -1.05 0.00 0.00 58.31 55.94 2joz n LYS 115 Cb 1.01 -0.62 -0.07 0.00 -0.65 0.00 0.00 35.03 34.70 2joz n LYS 115 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2joz s THR 116 N -0.34 4.61 -0.22 0.58 -4.23 -1.26 -4.97 115.64 109.81 2joz s THR 116 Ca 0.04 -1.65 0.00 0.00 -1.18 0.00 0.00 61.69 58.90 2joz s THR 116 Cb 0.03 -3.99 0.00 0.00 1.34 0.00 0.00 72.50 69.88 2joz s THR 116 CO 0.00 -0.80 0.00 0.61 -0.54 0.00 0.00 174.62 173.90 2joz n GLY 117 N 5.04 0.42 3.44 3.99 0.00 -1.26 -5.08 105.19 111.74 2joz n GLY 117 Ca -0.10 -2.15 -0.15 0.00 0.00 0.00 0.00 46.02 43.61 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 -0.09 1.07 -1.32 1.61 3.52 -1.26 -5.05 118.95 117.43 2joz s ARG 118 Ca 0.00 -0.09 -0.11 0.00 -0.13 0.00 0.00 55.73 55.40 2joz s ARG 118 Cb 0.00 0.49 -0.06 0.00 -1.56 0.00 0.00 34.95 33.82 2joz s ARG 118 CO 0.00 -0.38 2.47 -0.85 -0.81 0.00 0.00 175.30 175.73 2joz n GLU 119 N 0.50 2.86 -2.11 5.12 0.00 -1.26 -4.93 120.64 120.82 2joz n GLU 119 Ca -0.18 -2.07 -0.36 0.00 0.00 0.00 0.00 57.16 54.55 2joz n GLU 119 Cb 0.60 -2.84 0.02 0.00 0.00 0.00 0.00 31.44 29.21 2joz n GLU 119 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 2joz s GLU 120 N 3.04 3.21 -0.51 3.44 0.41 -1.26 -4.98 118.70 122.05 2joz s GLU 120 Ca 0.56 1.78 -0.19 0.00 -0.41 0.00 0.00 54.97 56.71 2joz s GLU 120 Cb 0.15 -2.03 0.07 0.00 -1.78 0.00 0.00 34.13 30.53 2joz s GLU 120 CO -0.04 -1.01 0.61 0.15 -0.49 0.00 0.00 175.26 174.48 2joz s LYS 121 N -3.21 3.10 0.08 1.61 1.02 -1.26 -5.04 119.74 116.04 2joz s LYS 121 Ca 0.74 -1.00 -0.17 0.00 0.02 0.00 0.00 55.97 55.56 2joz s LYS 121 Cb -0.29 -4.12 -0.07 0.00 -0.52 0.00 0.00 37.83 32.83 2joz s LYS 121 CO 0.32 -1.24 0.53 0.34 -0.92 0.00 0.00 175.35 174.38 2joz s ASP 122 N 2.80 6.94 -0.51 2.83 2.15 -1.26 -5.00 116.67 124.62 2joz s ASP 122 Ca 0.13 1.15 -0.27 0.00 0.43 0.00 0.00 52.55 53.99 2joz s ASP 122 Cb -0.20 -2.32 -0.03 0.00 -0.30 0.00 0.00 42.92 40.07 2joz s ASP 122 CO 0.11 0.24 1.98 -0.70 -0.17 0.00 0.00 175.17 176.63 2joz s GLU 123 N -1.34 2.67 -0.56 4.34 -6.30 -1.26 -4.90 118.70 111.36 2joz s GLU 123 Ca 0.30 1.01 0.04 0.00 -2.50 0.00 0.00 54.97 53.82 2joz s GLU 123 Cb -0.18 -4.39 0.15 0.00 0.00 0.00 0.00 34.13 29.71 2joz s GLU 123 CO 0.18 -2.65 0.34 0.15 0.02 0.00 0.00 175.26 173.30 2joz s LYS 124 N 7.00 1.91 -0.52 4.30 1.02 -1.26 -5.06 119.74 127.14 2joz s LYS 124 Ca 0.78 -2.70 -0.24 0.00 0.02 0.00 0.00 55.97 53.83 2joz s LYS 124 Cb -0.16 -2.99 0.04 0.00 -0.52 0.00 0.00 37.83 34.20 2joz s LYS 124 CO 0.25 -1.20 0.91 -1.12 -0.92 0.00 0.00 175.35 173.27 2joz s SER 125 N -0.52 6.37 0.31 2.83 0.01 -1.26 -5.03 113.70 116.40 2joz s SER 125 Ca 0.21 -0.27 -0.10 0.00 1.31 0.00 0.00 55.95 57.11 2joz s SER 125 Cb -0.16 -2.43 -0.07 0.00 0.21 0.00 0.00 66.02 63.58 2joz s SER 125 CO -0.07 -1.15 0.64 -1.59 0.41 0.00 0.00 173.24 171.48 2joz s LYS 126 N 3.79 3.78 -0.37 12.44 -2.85 -1.26 -5.06 119.74 130.21 2joz s LYS 126 Ca 0.31 0.33 0.00 0.00 -1.00 0.00 0.00 55.97 55.61 2joz s LYS 126 Cb -0.12 -2.54 0.13 0.00 -2.06 0.00 0.00 37.83 33.24 2joz s LYS 126 CO 0.20 0.16 0.19 0.45 0.10 0.00 0.00 175.35 176.46 2joz s SER 127 N -2.78 3.45 -0.49 0.03 0.15 -1.26 -5.09 113.70 107.71 2joz s SER 127 Ca 0.49 -2.15 -0.18 0.00 0.70 0.00 0.00 55.95 54.81 2joz s SER 127 Cb -0.11 -0.69 0.06 0.00 -1.71 0.00 0.00 66.02 63.57 2joz s SER 127 CO 0.26 -0.33 0.57 -0.22 1.20 0.00 0.00 173.24 174.72 2joz s LEU 128 N 1.03 5.05 -0.91 3.45 2.96 -1.26 -5.00 118.68 124.00 2joz s LEU 128 Ca 0.15 -0.94 -0.23 0.00 -0.22 0.00 0.00 54.13 52.90 2joz s LEU 128 Cb -0.22 -2.41 0.06 0.00 0.50 0.00 0.00 46.19 44.13 2joz s LEU 128 CO -0.08 -0.82 1.31 -0.70 -1.32 0.00 0.00 176.35 174.74 2joz s GLU 129 N 2.44 3.47 -0.68 1.98 -6.30 -1.26 -4.95 118.70 113.40 2joz s GLU 129 Ca 0.13 -1.04 -0.26 0.00 -2.50 0.00 0.00 54.97 51.30 2joz s GLU 129 Cb -0.20 -4.94 -0.02 0.00 0.00 0.00 0.00 34.13 28.97 2joz s GLU 129 CO 0.11 -2.08 1.83 -1.58 0.02 0.00 0.00 175.26 173.57 2joz s HIS 130 N 4.60 1.74 -0.11 5.30 5.65 -1.26 -4.79 115.29 126.43 2joz s HIS 130 Ca 0.39 0.67 -0.12 0.00 0.25 0.00 0.00 55.06 56.25 2joz s HIS 130 Cb -0.04 -4.13 -0.27 0.00 -1.18 0.00 0.00 32.58 26.96 2joz s HIS 130 CO -0.03 -2.19 0.47 1.25 -0.65 0.00 0.00 174.74 173.59 2joz h HIS 131 N 13.87 0.47 -3.94 3.88 2.76 -2.05 -3.50 115.15 126.64 2joz h HIS 131 Ca -0.19 -0.34 0.00 0.00 -2.20 0.00 0.00 60.37 57.64 2joz h HIS 131 Cb 1.12 -0.02 -0.04 0.00 1.55 0.00 0.00 27.41 30.02 2joz h HIS 131 CO 1.09 1.67 -0.80 1.58 -1.30 0.00 0.00 177.93 180.16 2joz n HIS 132 N -3.74 -2.82 -2.25 5.26 -0.00 -1.26 -4.95 115.22 105.46 2joz n HIS 132 Ca -0.28 1.66 -0.41 0.00 -0.00 0.00 0.00 57.72 58.68 2joz n HIS 132 Cb 0.97 -3.04 -0.03 0.00 -0.00 0.00 0.00 29.99 27.89 2joz n HIS 132 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2joz s HIS 133 N -0.38 3.29 -0.19 1.57 2.46 -1.26 -5.02 115.29 115.76 2joz s HIS 133 Ca -0.10 1.24 -0.01 0.00 0.47 0.00 0.00 55.06 56.67 2joz s HIS 133 Cb 0.01 -3.57 0.00 0.00 -0.13 0.00 0.00 32.58 28.89 2joz s HIS 133 CO 0.26 -1.76 -0.13 -1.58 -2.47 0.00 0.00 174.74 169.06 2joz s HIS 134 N 0.19 2.85 0.00 3.88 5.04 -1.26 -5.33 115.29 120.66 2joz s HIS 134 Ca 0.57 -1.21 0.00 0.00 -1.54 0.00 0.00 55.06 52.87 2joz s HIS 134 Cb -0.35 -1.98 0.00 0.00 0.04 0.00 0.00 32.58 30.28 2joz s HIS 134 CO 0.37 -0.62 0.02 1.58 -2.34 0.00 0.00 174.74 173.75