#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2job s ALA 2 N 0.00 1.54 -0.08 0.62 0.00 -1.26 -5.11 121.76 117.47 2job s ALA 2 Ca 0.00 -1.79 -0.10 0.00 0.00 0.00 0.00 51.96 50.07 2job s ALA 2 Cb 0.00 1.22 -0.03 0.00 0.00 0.00 0.00 23.12 24.31 2job s ALA 2 CO 0.00 -0.53 -0.20 0.66 0.00 0.00 0.00 175.76 175.70 2job n TYR 3 N -0.41 0.00 -1.44 0.00 4.01 -1.26 -4.86 117.16 113.20 2job n TYR 3 Ca 0.01 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.79 2job n TYR 3 Cb 0.66 -0.28 0.05 0.00 -0.31 0.00 0.00 39.34 39.46 2job n TYR 3 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 2job n VAL 4 N -3.78 0.73 -3.20 -0.72 0.24 -1.26 -4.96 118.33 105.37 2job n VAL 4 Ca -0.08 -0.86 -0.45 0.00 -2.04 0.00 0.00 64.34 60.90 2job n VAL 4 Cb 0.29 0.29 -0.01 0.00 -1.47 0.00 0.00 33.84 32.94 2job n VAL 4 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2job s GLN 5 N -1.08 3.84 0.00 7.34 -0.21 -1.26 -4.57 119.66 123.73 2job s GLN 5 Ca 0.11 -2.56 0.00 0.00 0.02 0.00 0.00 55.36 52.93 2job s GLN 5 Cb 0.10 -4.65 0.00 0.00 1.00 0.00 0.00 33.01 29.46 2job s GLN 5 CO 0.01 -1.43 0.00 0.41 -2.12 0.00 0.00 175.29 172.16 2job n GLY 6 N 3.92 -0.15 0.34 3.09 0.00 -1.26 -4.97 105.19 106.16 2job n GLY 6 Ca 0.22 0.06 0.04 0.00 0.00 0.00 0.00 46.02 46.34 2job n GLY 6 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2job h TRP 7 N 0.00 0.72 -0.41 1.61 4.06 -2.00 -1.36 115.95 118.57 2job h TRP 7 Ca 0.00 0.02 -0.08 0.00 2.06 0.00 0.00 58.89 60.89 2job h TRP 7 Cb 0.00 -0.24 -0.02 0.00 -1.00 0.00 0.00 29.16 27.90 2job h TRP 7 CO 0.00 0.43 -0.06 1.49 -3.56 0.00 0.00 178.44 176.74 2job h GLU 8 N 0.76 0.69 -0.46 0.49 4.57 -1.98 -0.09 114.58 118.56 2job h GLU 8 Ca 0.24 -0.20 -0.07 0.00 -1.18 0.00 0.00 59.36 58.15 2job h GLU 8 Cb 0.02 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 2job h GLU 8 CO -0.06 0.75 0.02 0.00 -1.18 0.00 0.00 179.01 178.54 2job h ALA 9 N 1.29 0.62 -0.57 2.92 0.00 -1.67 0.12 119.26 121.96 2job h ALA 9 Ca 0.12 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 2job h ALA 9 Cb 0.50 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2job h ALA 9 CO 0.03 0.40 0.01 0.28 0.00 0.00 0.00 179.25 179.97 2job h VAL 10 N 0.65 1.26 -0.75 0.00 2.07 -1.14 -1.64 116.25 116.70 2job h VAL 10 Ca 0.13 -1.11 -0.06 0.00 0.82 0.00 0.00 66.70 66.48 2job h VAL 10 Cb 0.48 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 2job h VAL 10 CO 0.02 0.40 0.23 0.00 0.02 0.00 0.00 177.57 178.24 2job h ALA 11 N 0.97 0.99 -0.74 1.67 0.00 -0.77 -2.06 119.26 119.32 2job h ALA 11 Ca 0.16 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2job h ALA 11 Cb 0.53 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2job h ALA 11 CO 0.03 0.67 0.35 0.00 0.00 0.00 0.00 179.25 180.30 2job h ALA 12 N 1.12 0.96 -0.75 0.00 0.00 -0.44 -0.69 119.26 119.46 2job h ALA 12 Ca 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2job h ALA 12 Cb 0.31 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2job h ALA 12 CO -0.01 0.53 0.44 0.00 0.00 0.00 0.00 179.25 180.21 2job h ALA 13 N 1.18 0.96 -0.62 0.00 0.00 -0.90 0.22 119.26 120.10 2job h ALA 13 Ca 0.25 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 2job h ALA 13 Cb 0.13 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2job h ALA 13 CO -0.03 0.45 0.15 0.28 0.00 0.00 0.00 179.25 180.10 2job h VAL 14 N 1.04 1.25 -0.52 0.00 2.07 -0.88 -1.36 116.25 117.85 2job h VAL 14 Ca 0.27 -0.92 -0.09 0.00 0.82 0.00 0.00 66.70 66.77 2job h VAL 14 Cb -0.01 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 2job h VAL 14 CO -0.05 0.35 -0.05 0.00 0.02 0.00 0.00 177.57 177.84 2job h ALA 15 N 1.05 0.94 -0.69 1.67 0.00 -0.55 -2.31 119.26 119.36 2job h ALA 15 Ca 0.19 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2job h ALA 15 Cb 0.36 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2job h ALA 15 CO 0.00 0.63 0.21 0.77 0.00 0.00 0.00 179.25 180.86 2job h SER 16 N 0.83 1.00 -0.13 0.00 0.02 -0.21 -2.22 113.55 112.84 2job h SER 16 Ca 0.15 -0.18 -0.08 0.00 -0.84 0.00 0.00 61.79 60.84 2job h SER 16 Cb 0.56 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 2job h SER 16 CO 0.03 0.93 -0.15 0.50 -1.14 0.00 0.00 176.83 177.00 2job h LYS 17 N 1.02 0.51 -0.22 3.45 3.64 -0.95 -1.60 116.57 122.43 2job h LYS 17 Ca 0.22 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 2job h LYS 17 Cb 0.30 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 2job h LYS 17 CO -0.01 0.65 0.04 0.82 -2.27 0.00 0.00 179.45 178.68 2job h ILE 18 N 0.46 1.22 -0.82 2.00 2.04 -0.89 -0.50 117.51 121.03 2job h ILE 18 Ca 0.08 -0.74 -0.04 0.00 1.00 0.00 0.00 64.86 65.17 2job h ILE 18 Cb 0.54 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 2job h ILE 18 CO 0.03 0.23 0.37 0.58 0.00 0.00 0.00 178.15 179.36 2job h VAL 19 N 0.17 1.26 0.00 1.67 2.07 -1.22 0.28 116.25 120.48 2job h VAL 19 Ca 0.07 -0.77 -0.07 0.00 0.82 0.00 0.00 66.70 66.75 2job h VAL 19 Cb 0.31 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2job h VAL 19 CO 0.00 0.32 -0.33 1.23 0.02 0.00 0.00 177.57 178.81 2job h GLY 20 N 1.18 0.00 -3.47 2.17 0.00 -1.12 -3.08 103.07 98.76 2job h GLY 20 Ca 0.28 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 47.10 2job h GLY 20 CO -0.03 0.00 -0.43 -0.10 0.00 0.00 0.00 176.54 175.98 2job n LEU 21 N -3.83 5.22 -4.80 3.11 7.94 -0.21 -5.02 117.00 119.41 2job n LEU 21 Ca -0.01 -4.53 -0.36 0.00 -1.11 0.00 0.00 56.01 50.00 2job n LEU 21 Cb 0.41 -0.49 -0.07 0.00 0.53 0.00 0.00 43.42 43.79 2job n LEU 21 CO 0.37 1.88 -0.21 0.86 -1.11 0.00 0.00 177.39 179.17 2job s TRP 22 N -3.59 3.45 0.00 1.96 -0.00 0.01 -4.40 118.94 116.38 2job s TRP 22 Ca 0.52 0.39 0.00 0.00 -0.00 0.00 0.00 56.10 57.01 2job s TRP 22 Cb 0.43 -1.95 0.00 0.00 -0.00 0.00 0.00 33.47 31.94 2job s TRP 22 CO 0.02 0.57 0.00 -2.13 -0.00 0.00 0.00 176.95 175.41 2job n ARG 23 N 2.37 1.55 -0.32 5.86 0.63 0.33 -4.96 116.66 122.11 2job n ARG 23 Ca -0.19 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 56.87 2job n ARG 23 Cb 0.54 0.00 0.32 0.00 0.45 0.00 0.00 32.46 33.77 2job n ARG 23 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 2job h ASN 24 N 0.00 0.53 -0.00 6.15 4.21 -1.99 -3.33 115.58 121.14 2job h ASN 24 Ca 0.00 0.13 -0.15 0.00 1.21 0.00 0.00 56.30 57.49 2job h ASN 24 Cb 0.00 0.06 -0.14 0.00 -1.12 0.00 0.00 38.32 37.12 2job h ASN 24 CO 0.00 0.10 -0.29 -1.84 -1.29 0.00 0.00 177.43 174.11 2job n GLU 25 N -4.93 0.52 -3.77 0.81 -0.00 -1.26 -4.83 120.64 107.18 2job n GLU 25 Ca 0.23 -1.10 -0.12 0.00 -0.00 0.00 0.00 57.16 56.17 2job n GLU 25 Cb 0.63 0.46 -0.08 0.00 -0.00 0.00 0.00 31.44 32.45 2job n GLU 25 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 2job s LYS 26 N 0.03 0.75 -0.00 3.44 2.36 -1.22 -3.26 119.74 121.83 2job s LYS 26 Ca 0.04 -0.45 -0.23 0.00 -2.55 0.00 0.00 55.97 52.78 2job s LYS 26 Cb 0.17 0.32 0.05 0.00 -1.05 0.00 0.00 37.83 37.33 2job s LYS 26 CO -0.05 -0.23 0.51 -0.08 1.55 0.00 0.00 175.35 177.05 2job s THR 27 N -2.23 0.03 -0.24 3.43 -1.32 -0.12 -0.52 115.64 114.67 2job s THR 27 Ca -0.07 -0.24 -0.07 0.00 -1.21 0.00 0.00 61.69 60.10 2job s THR 27 Cb -0.02 -0.89 -0.03 0.00 -1.51 0.00 0.00 72.50 70.05 2job s THR 27 CO -0.01 -0.13 0.07 -0.70 -2.21 0.00 0.00 174.62 171.64 2job s GLU 28 N -1.70 3.70 -0.15 7.08 2.56 -1.26 -0.02 118.70 128.90 2job s GLU 28 Ca -0.10 -0.46 -0.01 0.00 0.00 0.00 0.00 54.97 54.41 2job s GLU 28 Cb -0.02 -3.32 -0.01 0.00 2.00 0.00 0.00 34.13 32.78 2job s GLU 28 CO 0.04 -0.13 -0.12 -0.51 -0.56 0.00 0.00 175.26 173.98 2job s LEU 29 N 1.47 2.69 -1.36 2.70 1.43 -0.10 -4.62 118.68 120.88 2job s LEU 29 Ca 0.06 -0.38 -0.05 0.00 -1.03 0.00 0.00 54.13 52.73 2job s LEU 29 Cb -0.15 -1.62 0.03 0.00 0.03 0.00 0.00 46.19 44.48 2job s LEU 29 CO 0.04 0.11 0.38 -0.11 0.23 0.00 0.00 176.35 176.99 2job n LEU 30 N 3.91 -1.86 -0.57 1.79 7.94 -1.26 -0.44 117.00 126.52 2job n LEU 30 Ca -0.18 -0.19 -0.06 0.00 -1.11 0.00 0.00 56.01 54.46 2job n LEU 30 Cb 0.52 -2.47 -0.02 0.00 0.53 0.00 0.00 43.42 41.98 2job n LEU 30 CO 0.30 0.09 -0.07 0.61 -1.11 0.00 0.00 177.39 177.21 2job n GLY 31 N -1.19 0.57 3.28 -3.96 0.00 -1.26 -5.03 105.19 97.60 2job n GLY 31 Ca -0.10 -0.72 -0.27 0.00 0.00 0.00 0.00 46.02 44.94 2job n GLY 31 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2job s HIS 32 N -2.26 1.98 -0.07 1.61 3.76 0.42 -5.10 115.29 115.62 2job s HIS 32 Ca 0.00 -0.39 -0.30 0.00 -0.15 0.00 0.00 55.06 54.22 2job s HIS 32 Cb 0.00 -1.17 -0.04 0.00 1.11 0.00 0.00 32.58 32.48 2job s HIS 32 CO 0.00 0.11 1.29 -2.00 -0.85 0.00 0.00 174.74 173.29 2job s GLU 33 N -1.24 4.30 0.21 1.40 -6.30 -1.26 -0.92 118.70 114.88 2job s GLU 33 Ca 0.09 1.77 0.06 0.00 -2.50 0.00 0.00 54.97 54.39 2job s GLU 33 Cb -0.09 -3.63 -0.05 0.00 0.00 0.00 0.00 34.13 30.36 2job s GLU 33 CO 0.02 -0.56 -0.09 0.00 0.02 0.00 0.00 175.26 174.64 2job s LYS 35 N -3.72 2.97 -0.14 0.00 2.47 0.87 -0.94 119.74 121.24 2job s LYS 35 Ca 0.23 -0.87 0.02 0.00 -1.56 0.00 0.00 55.97 53.79 2job s LYS 35 Cb 0.02 -2.85 0.01 0.00 -1.46 0.00 0.00 37.83 33.55 2job s LYS 35 CO 0.07 -0.30 -0.20 0.12 0.16 0.00 0.00 175.35 175.20 2job s PHE 36 N 1.33 2.71 0.08 4.03 2.19 -1.20 -0.80 117.98 126.32 2job s PHE 36 Ca 0.02 -1.24 0.03 0.00 0.33 0.00 0.00 56.93 56.07 2job s PHE 36 Cb -0.15 -1.84 -0.03 0.00 -1.31 0.00 0.00 43.02 39.69 2job s PHE 36 CO -0.07 -0.56 -0.08 0.95 1.83 0.00 0.00 175.22 177.28 2job s THR 37 N 0.81 0.74 0.01 0.12 -4.23 -0.32 -3.45 115.64 109.32 2job s THR 37 Ca -0.07 -1.52 0.01 0.00 -1.18 0.00 0.00 61.69 58.94 2job s THR 37 Cb -0.15 -1.18 -0.01 0.00 1.34 0.00 0.00 72.50 72.50 2job s THR 37 CO -0.01 -0.57 -0.04 -0.69 -0.54 0.00 0.00 174.62 172.76 2job s VAL 38 N -2.36 0.32 -0.26 2.29 1.01 -1.26 -1.09 120.40 119.04 2job s VAL 38 Ca 0.02 -0.39 -0.11 0.00 0.00 0.00 0.00 61.98 61.49 2job s VAL 38 Cb -0.03 -0.32 0.10 0.00 0.00 0.00 0.00 36.38 36.13 2job s VAL 38 CO -0.01 -0.05 0.60 -0.75 0.00 0.00 0.00 175.10 174.88 2job s LYS 39 N -0.48 0.55 0.61 2.72 2.47 0.28 -4.99 119.74 120.91 2job s LYS 39 Ca -0.02 1.25 -0.12 0.00 -1.56 0.00 0.00 55.97 55.52 2job s LYS 39 Cb -0.04 0.48 -0.04 0.00 -1.46 0.00 0.00 37.83 36.77 2job s LYS 39 CO -0.00 -0.19 1.03 -1.25 0.16 0.00 0.00 175.35 175.10 2job s PRO 40 N 2.33 3.51 0.00 4.03 0.04 -1.26 -2.78 135.00 140.87 2job s PRO 40 Ca -0.07 0.86 0.00 0.00 0.04 0.00 0.00 61.00 61.84 2job s PRO 40 Cb -0.10 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2job s PRO 40 CO -0.18 -0.64 0.00 0.66 0.04 0.00 0.00 177.00 176.89 2job n TYR 41 N -2.55 0.00 -4.49 0.56 4.01 -0.17 -4.90 117.16 109.62 2job n TYR 41 Ca 0.07 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.56 2job n TYR 41 Cb 0.54 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.43 2job n TYR 41 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2job s LEU 42 N 0.00 2.21 0.46 7.72 0.20 -1.26 -2.44 118.68 125.56 2job s LEU 42 Ca 0.00 -0.57 0.04 0.00 0.69 0.00 0.00 54.13 54.30 2job s LEU 42 Cb 0.00 -0.90 -0.04 0.00 -0.43 0.00 0.00 46.19 44.82 2job s LEU 42 CO 0.00 0.11 0.05 -0.75 -0.29 0.00 0.00 176.35 175.47 2job s LYS 43 N -1.40 2.11 0.48 1.98 2.36 0.84 -4.90 119.74 121.20 2job s LYS 43 Ca 0.06 -2.20 0.37 0.00 -2.55 0.00 0.00 55.97 51.66 2job s LYS 43 Cb -0.09 -1.66 1.55 0.00 -1.05 0.00 0.00 37.83 36.57 2job s LYS 43 CO 0.02 -0.22 1.61 0.00 1.55 0.00 0.00 175.35 178.31 2job h ARG 44 N 1.49 0.03 0.00 4.03 3.08 -2.04 -3.14 114.38 117.83 2job h ARG 44 Ca -0.43 -0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.45 2job h ARG 44 Cb 1.28 -0.01 -0.13 0.00 0.08 0.00 0.00 29.97 31.18 2job h ARG 44 CO 0.75 0.02 -0.25 0.34 -1.07 0.00 0.00 179.97 179.77 2job n PHE 45 N -4.45 -1.93 -3.52 3.04 7.35 -1.26 -5.15 117.46 111.54 2job n PHE 45 Ca 0.40 -1.58 -0.12 0.00 -0.76 0.00 0.00 57.45 55.39 2job n PHE 45 Cb 1.64 1.48 -0.04 0.00 0.35 0.00 0.00 39.48 42.90 2job n PHE 45 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 2job s GLN 46 N 0.13 0.86 -0.26 -4.13 -0.21 -1.19 -5.14 119.66 109.72 2job s GLN 46 Ca 0.11 -0.03 -0.11 0.00 0.02 0.00 0.00 55.36 55.34 2job s GLN 46 Cb 0.39 0.40 -0.05 0.00 1.00 0.00 0.00 33.01 34.75 2job s GLN 46 CO -0.11 -0.32 0.21 0.08 -2.12 0.00 0.00 175.29 173.03 2job s VAL 47 N -2.04 5.31 0.30 1.09 1.01 -1.26 -0.11 120.40 124.69 2job s VAL 47 Ca -0.02 0.23 0.08 0.00 0.00 0.00 0.00 61.98 62.28 2job s VAL 47 Cb -0.01 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 2job s VAL 47 CO -0.01 0.28 0.13 -0.31 0.00 0.00 0.00 175.10 175.18 2job s TYR 48 N 1.51 2.80 -0.10 5.22 1.51 -1.02 -4.96 117.35 122.31 2job s TYR 48 Ca 0.08 -0.27 0.03 0.00 -1.01 0.00 0.00 57.07 55.90 2job s TYR 48 Cb -0.15 -1.48 0.01 0.00 -0.11 0.00 0.00 41.96 40.22 2job s TYR 48 CO 0.08 0.44 -0.20 -0.47 -1.11 0.00 0.00 175.55 174.29 2job s TYR 49 N -2.33 2.28 0.08 2.71 6.14 -1.20 -0.99 117.35 124.04 2job s TYR 49 Ca 0.35 -0.96 0.04 0.00 0.64 0.00 0.00 57.07 57.14 2job s TYR 49 Cb -0.05 -1.56 -0.03 0.00 0.42 0.00 0.00 41.96 40.74 2job s TYR 49 CO 0.23 -0.42 -0.12 0.21 0.64 0.00 0.00 175.55 176.09 2job s LYS 50 N 0.53 0.78 0.04 4.97 2.20 -1.12 -0.77 119.74 126.37 2job s LYS 50 Ca -0.15 -0.99 -0.11 0.00 -0.36 0.00 0.00 55.97 54.35 2job s LYS 50 Cb -0.17 -0.65 0.01 0.00 -1.51 0.00 0.00 37.83 35.52 2job s LYS 50 CO 0.05 0.13 0.25 0.20 -0.36 0.00 0.00 175.35 175.62 2job s GLY 51 N -1.94 -0.04 -0.05 5.54 0.00 0.00 -0.56 107.32 110.27 2job s GLY 51 Ca -0.01 -0.15 -0.08 0.00 0.00 0.00 0.00 44.72 44.48 2job s GLY 51 CO 0.01 -0.34 0.21 -1.60 0.00 0.00 0.00 173.10 171.38 2job s ARG 52 N -2.57 0.36 0.06 2.90 3.52 -0.25 -1.31 118.95 121.66 2job s ARG 52 Ca -0.05 0.07 -0.05 0.00 -0.13 0.00 0.00 55.73 55.57 2job s ARG 52 Cb -0.01 0.17 -0.02 0.00 -1.56 0.00 0.00 34.95 33.53 2job s ARG 52 CO -0.04 -0.07 0.08 0.00 -0.81 0.00 0.00 175.30 174.47 2job s MET 53 N -0.43 0.66 0.20 5.12 0.23 -0.03 -1.17 119.30 123.88 2job s MET 53 Ca -0.05 -0.95 -0.09 0.00 -1.03 0.00 0.00 55.69 53.57 2job s MET 53 Cb -0.04 0.25 0.03 0.00 -1.53 0.00 0.00 34.83 33.55 2job s MET 53 CO 0.01 -0.17 0.46 -2.67 -2.03 0.00 0.00 175.02 170.62 2job n TRP 54 N 0.36 -1.63 -3.67 3.16 2.14 0.02 -0.35 117.44 117.46 2job n TRP 54 Ca -0.16 -0.97 -0.30 0.00 2.07 0.00 0.00 57.50 58.14 2job n TRP 54 Cb 0.60 0.49 -0.14 0.00 -0.81 0.00 0.00 31.31 31.45 2job n TRP 54 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2job n PRO 56 N 4.43 2.26 0.00 0.00 -0.04 -1.25 -3.19 135.00 137.20 2job n PRO 56 Ca 0.02 -2.69 0.00 0.00 -0.04 0.00 0.00 63.50 60.79 2job n PRO 56 Cb 0.39 -3.52 0.00 0.00 -0.04 0.00 0.00 33.50 30.34 2job n PRO 56 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2job n GLY 57 N 5.36 2.91 0.14 0.55 0.00 -1.26 -4.94 105.19 107.94 2job n GLY 57 Ca 0.48 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 2job n GLY 57 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2job h TRP 58 N 0.00 -0.24 -1.86 1.61 7.01 -1.78 -3.49 115.95 117.21 2job h TRP 58 Ca 0.00 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.99 2job h TRP 58 Cb 0.00 0.08 0.00 0.00 -2.10 0.00 0.00 29.16 27.14 2job h TRP 58 CO 0.00 0.14 0.00 -2.37 -2.79 0.00 0.00 178.44 173.42 2job n THR 59 N -5.02 0.00 -2.24 2.65 5.66 -1.21 -5.07 114.28 109.06 2job n THR 59 Ca -0.09 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.64 2job n THR 59 Cb 0.25 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.04 2job n THR 59 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2job n ALA 60 N -3.00 5.17 -2.43 1.79 0.00 -1.26 -4.61 120.51 116.18 2job n ALA 60 Ca 0.00 -4.09 -0.27 0.00 0.00 0.00 0.00 53.44 49.08 2job n ALA 60 Cb 0.00 -0.58 -0.13 0.00 0.00 0.00 0.00 19.45 18.74 2job n ALA 60 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2job s ILE 61 N -5.14 2.15 0.20 0.00 1.01 -1.26 -5.09 121.20 113.06 2job s ILE 61 Ca 0.50 -1.76 0.04 0.00 0.00 0.00 0.00 60.65 59.43 2job s ILE 61 Cb 0.41 -1.93 -0.05 0.00 0.01 0.00 0.00 42.46 40.90 2job s ILE 61 CO -0.11 0.02 -0.05 0.00 0.00 0.00 0.00 174.94 174.80 2job s ARG 62 N -2.15 1.23 0.06 2.79 1.70 -1.26 -3.93 118.95 117.39 2job s ARG 62 Ca 0.14 -1.58 0.01 0.00 -0.47 0.00 0.00 55.73 53.82 2job s ARG 62 Cb -0.10 -0.64 -0.03 0.00 -0.57 0.00 0.00 34.95 33.61 2job s ARG 62 CO 0.06 -0.02 -0.05 0.20 -1.08 0.00 0.00 175.30 174.41 2job s GLY 63 N -3.25 0.52 0.04 3.88 0.00 0.52 -4.79 107.32 104.23 2job s GLY 63 Ca 0.24 -1.02 -0.25 0.00 0.00 0.00 0.00 44.72 43.69 2job s GLY 63 CO 0.05 -1.10 0.59 1.85 0.00 0.00 0.00 173.10 174.49 2job s GLU 64 N -2.83 1.10 -0.08 2.90 2.12 -1.26 -0.85 118.70 119.80 2job s GLU 64 Ca -0.00 -0.12 -0.30 0.00 0.36 0.00 0.00 54.97 54.91 2job s GLU 64 Cb -0.01 0.51 0.11 0.00 0.26 0.00 0.00 34.13 35.00 2job s GLU 64 CO -0.04 -0.40 0.89 0.00 -0.54 0.00 0.00 175.26 175.16 2job s ALA 65 N -2.31 -1.86 0.03 6.30 0.00 -0.43 -4.67 121.76 118.83 2job s ALA 65 Ca -0.06 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.25 2job s ALA 65 Cb -0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 2job s ALA 65 CO -0.00 -0.44 -0.04 -1.12 0.00 0.00 0.00 175.76 174.16 2job s SER 66 N -1.54 0.40 -0.05 0.00 0.01 -1.26 -0.82 113.70 110.44 2job s SER 66 Ca -0.02 -0.55 -0.31 0.00 1.31 0.00 0.00 55.95 56.38 2job s SER 66 Cb -0.01 0.09 0.12 0.00 0.21 0.00 0.00 66.02 66.43 2job s SER 66 CO 0.00 -0.30 1.14 0.28 0.41 0.00 0.00 173.24 174.77 2job s THR 67 N -1.63 0.00 0.41 1.44 -1.32 0.05 -4.99 115.64 109.61 2job s THR 67 Ca -0.13 -0.17 0.11 0.00 -1.21 0.00 0.00 61.69 60.29 2job s THR 67 Cb -0.09 -1.46 0.19 0.00 -1.51 0.00 0.00 72.50 69.63 2job s THR 67 CO -0.01 0.00 1.97 0.03 -2.21 0.00 0.00 174.62 174.39 2job h ARG 68 N 2.00 0.21 -6.79 7.08 -0.00 -1.93 -3.17 114.38 111.79 2job h ARG 68 Ca -0.20 -0.04 -0.53 0.00 -0.50 0.00 0.00 59.98 58.71 2job h ARG 68 Cb 1.20 -0.03 0.06 0.00 0.00 0.00 0.00 29.97 31.19 2job h ARG 68 CO 0.26 0.31 0.71 -1.54 0.00 0.00 0.00 179.97 179.71 2job s SER 69 N -6.90 6.70 -0.09 7.04 1.04 -1.26 -4.77 113.70 115.46 2job s SER 69 Ca -0.05 2.66 -0.14 0.00 0.48 0.00 0.00 55.95 58.90 2job s SER 69 Cb 0.16 -2.63 -0.11 0.00 0.10 0.00 0.00 66.02 63.54 2job s SER 69 CO 0.72 -0.64 0.47 1.56 0.98 0.00 0.00 173.24 176.33 2job h GLN 70 N 4.50 -0.12 0.01 4.02 4.20 -1.98 -3.07 115.11 122.66 2job h GLN 70 Ca -0.47 0.01 -0.19 0.00 0.06 0.00 0.00 58.65 58.06 2job h GLN 70 Cb 1.22 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 29.01 2job h GLN 70 CO 0.73 0.23 -0.88 1.03 -0.67 0.00 0.00 178.83 179.28 2job h SER 71 N -0.98 0.13 -0.85 1.46 0.87 -1.98 -3.23 113.55 108.98 2job h SER 71 Ca -0.01 -0.11 0.01 0.00 -1.23 0.00 0.00 61.79 60.45 2job h SER 71 Cb 0.41 -0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.29 2job h SER 71 CO 0.02 0.94 0.56 1.23 -0.53 0.00 0.00 176.83 179.05 2job h GLY 72 N 2.19 1.19 1.17 5.77 0.00 -1.97 -1.96 103.07 109.47 2job h GLY 72 Ca -0.03 -0.44 0.05 0.00 0.00 0.00 0.00 47.33 46.91 2job h GLY 72 CO 0.12 0.43 0.43 -0.24 0.00 0.00 0.00 176.54 177.29 2job h VAL 73 N 1.14 1.05 -0.51 4.60 3.04 -1.55 -1.64 116.25 122.38 2job h VAL 73 Ca 0.31 -0.25 -0.12 0.00 -1.01 0.00 0.00 66.70 65.63 2job h VAL 73 Cb -0.12 0.27 -0.02 0.00 -2.01 0.00 0.00 31.29 29.41 2job h VAL 73 CO -0.07 0.13 -0.16 0.00 -1.01 0.00 0.00 177.57 176.46 2job h ALA 74 N 1.63 0.71 -0.47 3.17 0.00 -1.49 -1.57 119.26 121.24 2job h ALA 74 Ca 0.27 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2job h ALA 74 Cb 0.18 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2job h ALA 74 CO -0.08 0.66 0.04 0.78 0.00 0.00 0.00 179.25 180.65 2job h GLY 75 N 0.88 0.79 1.23 0.00 0.00 -1.18 -1.66 103.07 103.14 2job h GLY 75 Ca 0.13 -0.49 -0.17 0.00 0.00 0.00 0.00 47.33 46.79 2job h GLY 75 CO 0.06 0.46 -0.50 1.70 0.00 0.00 0.00 176.54 178.25 2job h LYS 76 N 0.70 0.82 -0.46 4.80 3.64 -1.09 0.48 116.57 125.46 2job h LYS 76 Ca 0.15 -0.49 -0.10 0.00 -1.27 0.00 0.00 60.65 58.94 2job h LYS 76 Cb 0.37 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 2job h LYS 76 CO 0.01 1.12 -0.10 1.15 -2.27 0.00 0.00 179.45 179.37 2job h THR 77 N 0.64 1.26 0.09 1.00 2.02 -0.98 0.82 112.91 117.76 2job h THR 77 Ca 0.03 -1.18 -0.26 0.00 0.77 0.00 0.00 66.41 65.77 2job h THR 77 Cb 1.09 1.01 0.01 0.00 -1.74 0.00 0.00 68.15 68.51 2job h THR 77 CO 0.11 0.41 -1.14 0.00 0.37 0.00 0.00 175.52 175.26 2job h ALA 78 N 1.13 0.18 -0.22 6.16 0.00 -1.25 -2.80 119.26 122.46 2job h ALA 78 Ca 0.13 -0.82 -0.19 0.00 0.00 0.00 0.00 54.91 54.03 2job h ALA 78 Cb 0.60 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2job h ALA 78 CO 0.04 0.90 -0.61 -0.22 0.00 0.00 0.00 179.25 179.36 2job h LYS 79 N 0.13 0.75 -0.43 0.00 3.64 -0.77 -2.22 116.57 117.69 2job h LYS 79 Ca -0.12 -0.51 -0.08 0.00 -1.27 0.00 0.00 60.65 58.67 2job h LYS 79 Cb 1.84 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.71 2job h LYS 79 CO 0.19 1.14 -0.06 -0.44 -2.27 0.00 0.00 179.45 178.01 2job h ASP 80 N 0.56 0.70 -0.49 4.20 5.19 -0.90 -1.43 116.42 124.24 2job h ASP 80 Ca -0.00 -0.18 -0.13 0.00 -0.62 0.00 0.00 57.03 56.10 2job h ASP 80 Cb 1.21 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 40.52 2job h ASP 80 CO 0.13 0.80 -0.19 0.15 -3.12 0.00 0.00 179.24 177.01 2job h PHE 81 N 0.67 1.15 -0.47 4.55 3.57 -1.39 -2.38 116.94 122.63 2job h PHE 81 Ca 0.12 -0.27 -0.09 0.00 3.53 0.00 0.00 57.97 61.26 2job h PHE 81 Cb 0.50 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 2job h PHE 81 CO 0.02 1.10 -0.09 0.28 -2.23 0.00 0.00 178.31 177.39 2job h VAL 82 N 0.87 1.26 -0.65 1.41 2.07 -1.08 -1.00 116.25 119.13 2job h VAL 82 Ca 0.12 -1.17 -0.06 0.00 0.82 0.00 0.00 66.70 66.41 2job h VAL 82 Cb 0.77 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 2job h VAL 82 CO 0.06 0.40 0.18 0.03 0.02 0.00 0.00 177.57 178.26 2job h ARG 83 N 0.76 1.01 -0.26 1.57 2.47 -1.09 0.11 114.38 118.95 2job h ARG 83 Ca 0.13 -0.22 -0.17 0.00 -1.26 0.00 0.00 59.98 58.46 2job h ARG 83 Cb 0.59 -0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 28.76 2job h ARG 83 CO 0.04 0.88 -0.53 -0.22 0.56 0.00 0.00 179.97 180.70 2job h LYS 84 N 0.97 0.76 -0.26 0.04 3.64 -1.14 -2.36 116.57 118.21 2job h LYS 84 Ca 0.21 -0.47 -0.10 0.00 -1.27 0.00 0.00 60.65 59.02 2job h LYS 84 Cb 0.32 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 2job h LYS 84 CO -0.00 1.09 -0.26 0.00 -2.27 0.00 0.00 179.45 178.01 2job h ALA 85 N 0.81 1.06 -0.42 5.00 0.00 -0.79 -2.23 119.26 122.69 2job h ALA 85 Ca 0.02 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 2job h ALA 85 Cb 1.11 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2job h ALA 85 CO 0.11 0.57 -0.23 0.74 0.00 0.00 0.00 179.25 180.44 2job h PHE 86 N 0.45 0.97 -0.53 0.00 0.04 -0.66 -0.20 116.94 117.00 2job h PHE 86 Ca 0.06 -0.23 -0.11 0.00 2.80 0.00 0.00 57.97 60.49 2job h PHE 86 Cb 0.69 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.60 2job h PHE 86 CO 0.02 1.00 -0.09 1.96 -0.60 0.00 0.00 178.31 180.60 2job h GLN 87 N 0.74 0.99 0.16 1.51 4.20 -1.18 -3.28 115.11 118.25 2job h GLN 87 Ca 0.10 -0.35 -0.01 0.00 0.06 0.00 0.00 58.65 58.45 2job h GLN 87 Cb 0.77 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.48 2job h GLN 87 CO 0.06 1.02 -0.08 -0.22 -0.67 0.00 0.00 178.83 178.95 2job h LYS 88 N 0.88 -0.21 0.00 1.46 3.11 -1.27 -3.49 116.57 117.07 2job h LYS 88 Ca 0.14 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.00 2job h LYS 88 Cb 0.64 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.92 2job h LYS 88 CO 0.04 0.22 0.00 0.41 -2.81 0.00 0.00 179.45 177.31 2job n GLY 89 N 0.62 0.19 0.96 5.01 0.00 -0.19 -5.09 105.19 106.68 2job n GLY 89 Ca -0.08 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2job n GLY 89 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2job n LEU 90 N 0.00 0.26 -4.52 0.99 4.77 -0.57 -4.98 117.00 112.94 2job n LEU 90 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 2job n LEU 90 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 2job n LEU 90 CO 0.00 0.02 0.23 -0.63 -1.33 0.00 0.00 177.39 175.67 2job s ILE 91 N -1.99 4.99 0.93 -0.08 1.01 -1.25 -5.02 121.20 119.78 2job s ILE 91 Ca 0.00 0.06 -0.13 0.00 0.00 0.00 0.00 60.65 60.58 2job s ILE 91 Cb 0.00 -4.05 0.20 0.00 0.01 0.00 0.00 42.46 38.63 2job s ILE 91 CO 0.00 -0.38 1.27 -0.44 0.00 0.00 0.00 174.94 175.39 2job s SER 92 N 1.84 3.20 -0.06 3.58 0.01 -1.26 -4.66 113.70 116.35 2job s SER 92 Ca 0.17 0.00 -0.09 0.00 1.31 0.00 0.00 55.95 57.35 2job s SER 92 Cb -0.16 -0.05 -0.05 0.00 0.21 0.00 0.00 66.02 65.98 2job s SER 92 CO 0.15 -2.66 0.36 -0.61 0.41 0.00 0.00 173.24 170.89 2job h GLN 93 N -1.46 -0.30 -0.67 12.44 5.75 -2.00 -2.97 115.11 125.91 2job h GLN 93 Ca -0.42 0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.06 2job h GLN 93 Cb 1.23 0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.81 2job h GLN 93 CO 0.34 -0.20 0.25 1.96 -2.65 0.00 0.00 178.83 178.53 2job h GLN 94 N -1.06 0.99 -0.63 1.69 4.20 -2.00 -2.71 115.11 115.59 2job h GLN 94 Ca -0.03 -0.17 0.08 0.00 0.06 0.00 0.00 58.65 58.59 2job h GLN 94 Cb 0.24 -0.16 -0.06 0.00 0.30 0.00 0.00 27.48 27.79 2job h GLN 94 CO 0.05 0.82 0.30 1.49 -0.67 0.00 0.00 178.83 180.82 2job h GLU 95 N 0.97 0.51 -0.85 1.46 4.81 -1.96 -0.18 114.58 119.35 2job h GLU 95 Ca 0.22 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 2job h GLU 95 Cb 0.21 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 2job h GLU 95 CO -0.02 0.34 0.41 0.00 -0.73 0.00 0.00 179.01 179.02 2job h ALA 96 N 1.39 1.13 -0.56 2.92 0.00 -1.31 -1.73 119.26 121.09 2job h ALA 96 Ca 0.31 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 2job h ALA 96 Cb 0.31 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2job h ALA 96 CO -0.25 0.66 0.03 -0.97 0.00 0.00 0.00 179.25 178.72 2job h ASN 97 N 1.20 0.91 -0.64 0.00 -1.24 -1.04 -0.03 115.58 114.75 2job h ASN 97 Ca 0.29 -0.23 -0.07 0.00 0.71 0.00 0.00 56.30 57.00 2job h ASN 97 Cb 0.11 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 38.89 2job h ASN 97 CO -0.04 0.95 0.13 1.56 -1.29 0.00 0.00 177.43 178.74 2job h GLN 98 N 0.88 1.04 -0.43 6.67 4.20 -0.57 -2.31 115.11 124.58 2job h GLN 98 Ca 0.17 -0.26 -0.14 0.00 0.06 0.00 0.00 58.65 58.48 2job h GLN 98 Cb 0.47 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 2job h GLN 98 CO 0.02 0.95 -0.26 2.35 -0.67 0.00 0.00 178.83 181.22 2job h TRP 99 N 0.95 1.07 -0.95 2.96 7.01 -1.05 -1.58 115.95 124.37 2job h TRP 99 Ca 0.20 -0.27 0.11 0.00 2.11 0.00 0.00 58.89 61.03 2job h TRP 99 Cb 0.40 -0.24 -0.08 0.00 -2.10 0.00 0.00 29.16 27.13 2job h TRP 99 CO 0.03 1.08 0.58 -0.07 -2.79 0.00 0.00 178.44 177.27 2job h LEU 100 N 0.79 0.86 -0.14 0.65 3.38 -0.68 -1.85 115.31 118.32 2job h LEU 100 Ca 0.09 0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.98 2job h LEU 100 Cb 0.83 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2job h LEU 100 CO 0.07 0.48 -0.42 0.28 0.09 0.00 0.00 178.44 178.94 2job h SER 101 N 0.95 0.61 0.00 -0.43 0.02 -1.17 -3.51 113.55 110.02 2job h SER 101 Ca 0.46 -0.60 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2job h SER 101 Cb 0.42 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2job h SER 101 CO -0.25 1.10 0.00 -1.20 -1.14 0.00 0.00 176.83 175.34