#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 2.91 0.01 4.31 0.00 -1.26 -5.04 121.76 122.69 2job s ALA 2 Ca 0.00 0.82 0.02 0.00 0.00 0.00 0.00 51.96 52.80 2job s ALA 2 Cb 0.00 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 2job s ALA 2 CO 0.00 -0.55 -0.01 0.71 0.00 0.00 0.00 175.76 175.91 2job s TYR 3 N -1.68 3.04 -0.01 0.00 2.02 -1.26 -5.12 117.35 114.34 2job s TYR 3 Ca 0.65 0.05 0.01 0.00 -0.37 0.00 0.00 57.07 57.41 2job s TYR 3 Cb -0.24 -1.64 0.00 0.00 -0.40 0.00 0.00 41.96 39.67 2job s TYR 3 CO 0.29 0.45 -0.03 0.54 -1.57 0.00 0.00 175.55 175.23 2job s VAL 4 N -1.10 0.28 -0.06 0.71 0.11 -1.26 -5.05 120.40 114.02 2job s VAL 4 Ca 0.20 -0.13 -0.15 0.00 -2.93 0.00 0.00 61.98 58.97 2job s VAL 4 Cb -0.11 -0.25 -0.30 0.00 -1.53 0.00 0.00 36.38 34.18 2job s VAL 4 CO 0.11 0.09 0.70 1.56 -3.33 0.00 0.00 175.10 174.23 2job h GLN 5 N 6.21 0.34 0.00 1.54 4.20 -2.07 -3.48 115.11 121.86 2job h GLN 5 Ca -0.29 -0.58 0.00 0.00 0.06 0.00 0.00 58.65 57.84 2job h GLN 5 Cb 1.19 0.22 0.00 0.00 0.30 0.00 0.00 27.48 29.19 2job h GLN 5 CO 0.50 1.28 0.00 0.41 -0.67 0.00 0.00 178.83 180.35 2job n GLY 6 N 1.77 0.84 0.11 3.46 0.00 -1.26 -4.93 105.19 105.17 2job n GLY 6 Ca -0.22 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 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 0.15 -0.95 1.61 4.06 -2.00 -1.18 115.95 117.65 2job h TRP 7 Ca 0.00 0.01 0.03 0.00 2.06 0.00 0.00 58.89 60.99 2job h TRP 7 Cb 0.00 -0.04 -0.05 0.00 -1.00 0.00 0.00 29.16 28.07 2job h TRP 7 CO 0.00 0.08 0.63 1.49 -3.56 0.00 0.00 178.44 177.07 2job h GLU 8 N 0.19 1.19 -0.71 0.49 4.81 -2.00 -1.40 114.58 117.15 2job h GLU 8 Ca 0.09 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 2job h GLU 8 Cb 0.05 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.13 2job h GLU 8 CO -0.09 0.79 0.18 0.00 -0.73 0.00 0.00 179.01 179.16 2job h ALA 9 N 1.43 0.98 -0.60 2.92 0.00 -1.81 -1.35 119.26 120.84 2job h ALA 9 Ca 0.37 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2job h ALA 9 Cb -0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2job h ALA 9 CO -0.10 0.66 0.11 0.28 0.00 0.00 0.00 179.25 180.20 2job h VAL 10 N 1.07 1.26 -0.78 0.00 2.07 -0.44 -1.79 116.25 117.63 2job h VAL 10 Ca 0.22 -0.98 -0.04 0.00 0.82 0.00 0.00 66.70 66.72 2job h VAL 10 Cb 0.35 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 2job h VAL 10 CO -0.00 0.36 0.31 0.00 0.02 0.00 0.00 177.57 178.26 2job h ALA 11 N 1.02 1.08 -0.71 1.67 0.00 -0.95 -1.79 119.26 119.58 2job h ALA 11 Ca 0.18 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2job h ALA 11 Cb 0.41 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2job h ALA 11 CO 0.01 0.65 0.25 0.00 0.00 0.00 0.00 179.25 180.17 2job h ALA 12 N 1.21 0.93 -0.75 0.00 0.00 -0.91 -1.56 119.26 118.17 2job h ALA 12 Ca 0.26 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2job h ALA 12 Cb 0.21 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2job h ALA 12 CO -0.02 0.58 0.34 0.00 0.00 0.00 0.00 179.25 180.14 2job h ALA 13 N 1.12 0.97 -0.75 0.00 0.00 -0.88 -1.08 119.26 118.65 2job h ALA 13 Ca 0.23 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2job h ALA 13 Cb 0.26 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2job h ALA 13 CO -0.01 0.56 0.34 0.28 0.00 0.00 0.00 179.25 180.42 2job h VAL 14 N 1.07 1.25 -0.79 0.00 2.07 -0.93 -1.12 116.25 117.80 2job h VAL 14 Ca 0.26 -0.72 -0.05 0.00 0.82 0.00 0.00 66.70 67.01 2job h VAL 14 Cb 0.16 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 2job h VAL 14 CO -0.03 0.30 0.31 0.00 0.02 0.00 0.00 177.57 178.17 2job h ALA 15 N 1.17 1.03 -0.70 1.67 0.00 -0.79 -2.26 119.26 119.37 2job h ALA 15 Ca 0.25 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2job h ALA 15 Cb 0.15 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2job h ALA 15 CO -0.03 0.66 0.24 0.77 0.00 0.00 0.00 179.25 180.89 2job h SER 16 N 1.15 0.98 -0.75 0.00 0.02 -0.66 -2.10 113.55 112.20 2job h SER 16 Ca 0.26 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2job h SER 16 Cb 0.22 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 2job h SER 16 CO -0.02 0.90 0.46 0.50 -1.14 0.00 0.00 176.83 177.53 2job h LYS 17 N 1.03 1.02 -0.20 3.45 3.64 -0.67 -1.57 116.57 123.27 2job h LYS 17 Ca 0.23 -0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.45 2job h LYS 17 Cb 0.25 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2job h LYS 17 CO -0.01 0.71 -0.23 0.82 -2.27 0.00 0.00 179.45 178.46 2job h ILE 18 N 1.04 1.25 -0.01 2.00 2.04 -0.89 -0.02 117.51 122.91 2job h ILE 18 Ca 0.27 -1.15 -0.00 0.00 1.00 0.00 0.00 64.86 64.98 2job h ILE 18 Cb -0.05 1.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 2job h ILE 18 CO -0.05 0.36 0.01 0.58 0.00 0.00 0.00 178.15 179.04 2job h VAL 19 N 0.32 1.10 0.00 1.67 2.07 -0.84 0.53 116.25 121.11 2job h VAL 19 Ca 0.05 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.27 2job h VAL 19 Cb 0.59 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 2job h VAL 19 CO 0.04 0.08 0.00 0.61 0.02 0.00 0.00 177.57 178.32 2job n GLY 20 N -0.75 -1.59 0.05 2.17 0.00 -1.07 -3.49 105.19 100.50 2job n GLY 20 Ca -0.07 -0.04 0.05 0.00 0.00 0.00 0.00 46.02 45.96 2job n GLY 20 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2job n LEU 21 N -2.00 0.17 -4.72 0.99 7.94 -0.03 -4.93 117.00 114.41 2job n LEU 21 Ca 0.06 0.07 -0.42 0.00 -1.11 0.00 0.00 56.01 54.61 2job n LEU 21 Cb 0.38 0.12 -0.03 0.00 0.53 0.00 0.00 43.42 44.43 2job n LEU 21 CO 0.28 0.12 1.10 0.86 -1.11 0.00 0.00 177.39 178.64 2job s TRP 22 N -3.20 3.17 0.00 1.96 -0.00 0.18 -4.63 118.94 116.42 2job s TRP 22 Ca -0.07 0.92 0.00 0.00 -0.00 0.00 0.00 56.10 56.95 2job s TRP 22 Cb 0.11 -3.75 0.00 0.00 -0.00 0.00 0.00 33.47 29.83 2job s TRP 22 CO 0.87 -2.62 0.00 -2.13 -0.00 0.00 0.00 176.95 173.07 2job n ARG 23 N 3.53 2.65 -0.27 5.86 0.63 0.21 -4.96 116.66 124.31 2job n ARG 23 Ca 0.11 0.00 0.09 0.00 -0.92 0.00 0.00 57.85 57.12 2job n ARG 23 Cb 0.41 0.00 0.23 0.00 0.45 0.00 0.00 32.46 33.55 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 0.04 0.00 6.15 2.35 -1.95 -3.35 115.58 118.82 2job h ASN 24 Ca 0.00 0.16 -0.15 0.00 -0.55 0.00 0.00 56.30 55.77 2job h ASN 24 Cb 0.00 0.21 -0.13 0.00 0.05 0.00 0.00 38.32 38.45 2job h ASN 24 CO 0.00 -0.07 -0.26 -1.84 -1.65 0.00 0.00 177.43 173.61 2job n GLU 25 N -5.17 0.84 -3.56 0.81 0.28 -1.26 -4.89 120.64 107.69 2job n GLU 25 Ca 0.17 -1.07 -0.14 0.00 -0.16 0.00 0.00 57.16 55.96 2job n GLU 25 Cb 0.54 0.44 -0.05 0.00 1.43 0.00 0.00 31.44 33.80 2job n GLU 25 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 2job s LYS 26 N 0.08 1.06 0.06 3.44 2.20 -1.26 -4.37 119.74 120.95 2job s LYS 26 Ca 0.06 -0.28 -0.22 0.00 -0.36 0.00 0.00 55.97 55.16 2job s LYS 26 Cb 0.28 0.48 0.05 0.00 -1.51 0.00 0.00 37.83 37.13 2job s LYS 26 CO -0.08 -0.39 0.52 -0.08 -0.36 0.00 0.00 175.35 174.96 2job s THR 27 N -2.63 0.03 -0.29 3.43 -1.32 -0.61 -0.62 115.64 113.62 2job s THR 27 Ca -0.04 -0.25 -0.00 0.00 -1.21 0.00 0.00 61.69 60.18 2job s THR 27 Cb -0.00 -0.99 0.06 0.00 -1.51 0.00 0.00 72.50 70.05 2job s THR 27 CO -0.03 -0.14 -0.02 -1.61 -2.21 0.00 0.00 174.62 170.61 2job s GLU 28 N -2.58 2.35 -0.14 7.08 8.01 -1.26 -0.03 118.70 132.12 2job s GLU 28 Ca -0.05 -1.32 -0.02 0.00 0.01 0.00 0.00 54.97 53.60 2job s GLU 28 Cb -0.01 -3.12 -0.02 0.00 -4.31 0.00 0.00 34.13 26.67 2job s GLU 28 CO -0.03 -0.63 -0.09 -0.51 0.01 0.00 0.00 175.26 174.01 2job s LEU 29 N 1.20 2.92 -1.76 1.80 1.43 -0.47 -4.56 118.68 119.24 2job s LEU 29 Ca -0.05 -0.25 -0.01 0.00 -1.03 0.00 0.00 54.13 52.79 2job s LEU 29 Cb -0.20 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.35 2job s LEU 29 CO -0.02 0.16 0.08 -0.11 0.23 0.00 0.00 176.35 176.69 2job n LEU 30 N 3.55 -2.05 -0.80 1.79 7.94 -1.26 -0.80 117.00 125.36 2job n LEU 30 Ca -0.18 -0.05 -0.09 0.00 -1.11 0.00 0.00 56.01 54.57 2job n LEU 30 Cb 0.53 -2.95 -0.03 0.00 0.53 0.00 0.00 43.42 41.49 2job n LEU 30 CO 0.31 -0.16 -0.10 0.61 -1.11 0.00 0.00 177.39 176.94 2job n GLY 31 N -1.08 0.86 3.46 -3.96 0.00 -1.26 -5.01 105.19 98.19 2job n GLY 31 Ca -0.23 -0.58 -0.23 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.38 2.22 -0.12 1.61 3.76 0.02 -5.11 115.29 115.29 2job s HIS 32 Ca 0.00 -0.36 -0.23 0.00 -0.15 0.00 0.00 55.06 54.31 2job s HIS 32 Cb 0.00 -0.97 -0.03 0.00 1.11 0.00 0.00 32.58 32.69 2job s HIS 32 CO 0.00 0.68 0.73 -1.21 -0.85 0.00 0.00 174.74 174.08 2job s GLU 33 N -3.53 4.35 0.26 1.40 2.02 -1.26 -1.37 118.70 120.57 2job s GLU 33 Ca 0.29 0.87 0.04 0.00 0.02 0.00 0.00 54.97 56.19 2job s GLU 33 Cb -0.04 -3.51 -0.06 0.00 0.10 0.00 0.00 34.13 30.62 2job s GLU 33 CO 0.14 -0.12 0.01 0.00 0.02 0.00 0.00 175.26 175.32 2job s LYS 35 N -3.87 1.16 -0.10 0.00 2.47 0.66 -1.58 119.74 118.49 2job s LYS 35 Ca 0.31 -1.04 -0.02 0.00 -1.56 0.00 0.00 55.97 53.67 2job s LYS 35 Cb 0.06 -2.41 -0.03 0.00 -1.46 0.00 0.00 37.83 33.99 2job s LYS 35 CO 0.11 -0.77 -0.02 0.12 0.16 0.00 0.00 175.35 174.95 2job s PHE 36 N 1.48 3.07 0.02 4.03 2.19 -1.26 -0.82 117.98 126.68 2job s PHE 36 Ca 0.02 0.03 -0.11 0.00 0.33 0.00 0.00 56.93 57.20 2job s PHE 36 Cb -0.18 -1.82 0.01 0.00 -1.31 0.00 0.00 43.02 39.72 2job s PHE 36 CO -0.13 0.31 0.23 0.95 1.83 0.00 0.00 175.22 178.41 2job s THR 37 N -0.54 0.08 -0.05 0.12 -4.23 -0.38 -3.98 115.64 106.66 2job s THR 37 Ca 0.09 -0.70 0.04 0.00 -1.18 0.00 0.00 61.69 59.94 2job s THR 37 Cb -0.12 -0.72 -0.00 0.00 1.34 0.00 0.00 72.50 73.00 2job s THR 37 CO 0.02 -0.38 -0.18 -0.69 -0.54 0.00 0.00 174.62 172.85 2job s VAL 38 N -1.94 1.52 -0.08 2.29 1.01 -1.26 -1.11 120.40 120.83 2job s VAL 38 Ca -0.10 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 2job s VAL 38 Cb -0.04 -1.31 0.03 0.00 0.00 0.00 0.00 36.38 35.06 2job s VAL 38 CO -0.00 0.44 0.01 -1.59 0.00 0.00 0.00 175.10 173.96 2job s LYS 39 N 0.15 0.51 0.52 2.72 0.00 0.82 -4.97 119.74 119.50 2job s LYS 39 Ca -0.07 0.11 -0.17 0.00 0.00 0.00 0.00 55.97 55.84 2job s LYS 39 Cb -0.13 -1.00 -0.07 0.00 0.00 0.00 0.00 37.83 36.63 2job s LYS 39 CO 0.03 -0.34 1.00 -1.25 0.00 0.00 0.00 175.35 174.79 2job s PRO 40 N 2.00 3.85 0.02 1.78 0.04 -1.26 -0.85 135.00 140.58 2job s PRO 40 Ca 0.05 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.10 2job s PRO 40 Cb -0.13 -2.12 -0.00 0.00 0.04 0.00 0.00 34.50 32.29 2job s PRO 40 CO -0.05 -0.35 0.02 0.66 0.04 0.00 0.00 177.00 177.31 2job n TYR 41 N -1.61 -0.09 -3.82 0.56 4.01 0.10 -4.87 117.16 111.44 2job n TYR 41 Ca 0.07 -0.17 -0.09 0.00 -0.16 0.00 0.00 57.90 57.55 2job n TYR 41 Cb 0.54 0.02 -0.07 0.00 -0.31 0.00 0.00 39.34 39.52 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 1.16 0.40 7.72 0.20 -1.26 -2.77 118.68 124.13 2job s LEU 42 Ca 0.02 -0.60 0.04 0.00 0.69 0.00 0.00 54.13 54.28 2job s LEU 42 Cb 0.00 1.23 -0.03 0.00 -0.43 0.00 0.00 46.19 46.96 2job s LEU 42 CO 0.02 -0.77 0.12 -0.75 -0.29 0.00 0.00 176.35 174.67 2job s LYS 43 N -3.86 1.90 0.39 1.98 2.47 0.75 -4.84 119.74 118.53 2job s LYS 43 Ca 0.06 -2.15 0.22 0.00 -1.56 0.00 0.00 55.97 52.54 2job s LYS 43 Cb 0.04 -0.65 1.29 0.00 -1.46 0.00 0.00 37.83 37.05 2job s LYS 43 CO -0.10 -0.44 1.63 0.00 0.16 0.00 0.00 175.35 176.59 2job h ARG 44 N 1.82 0.14 -0.18 4.03 3.08 -2.04 -3.12 114.38 118.12 2job h ARG 44 Ca -0.36 -0.01 -0.22 0.00 0.07 0.00 0.00 59.98 59.46 2job h ARG 44 Cb 1.27 -0.03 -0.21 0.00 0.08 0.00 0.00 29.97 31.08 2job h ARG 44 CO 0.59 0.10 -0.52 0.34 -1.07 0.00 0.00 179.97 179.40 2job n PHE 45 N -4.95 -1.45 -3.82 3.04 -0.00 -1.26 -5.14 117.46 103.88 2job n PHE 45 Ca 0.35 -1.98 -0.06 0.00 -0.00 0.00 0.00 57.45 55.76 2job n PHE 45 Cb 1.24 1.13 -0.01 0.00 -0.00 0.00 0.00 39.48 41.84 2job n PHE 45 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 2job s GLN 46 N -0.70 1.60 -0.07 -4.13 -1.52 -1.18 -5.16 119.66 108.50 2job s GLN 46 Ca 0.19 -0.91 0.05 0.00 -1.95 0.00 0.00 55.36 52.74 2job s GLN 46 Cb 0.42 0.53 -0.00 0.00 -0.22 0.00 0.00 33.01 33.73 2job s GLN 46 CO -0.08 -0.74 -0.23 0.08 -0.25 0.00 0.00 175.29 174.07 2job s VAL 47 N -3.50 1.90 -0.09 1.09 1.01 -1.26 -0.17 120.40 119.38 2job s VAL 47 Ca 0.12 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.14 2job s VAL 47 Cb -0.04 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.73 2job s VAL 47 CO 0.06 0.53 -0.08 -0.31 0.00 0.00 0.00 175.10 175.29 2job s TYR 48 N 0.06 1.32 -0.15 5.22 2.02 -1.12 -4.76 117.35 119.95 2job s TYR 48 Ca -0.09 -0.57 -0.11 0.00 -0.37 0.00 0.00 57.07 55.94 2job s TYR 48 Cb -0.15 -1.08 -0.05 0.00 -0.40 0.00 0.00 41.96 40.29 2job s TYR 48 CO 0.05 -0.38 0.20 0.71 -1.57 0.00 0.00 175.55 174.56 2job s TYR 49 N 1.28 3.50 0.31 2.71 1.51 0.93 0.02 117.35 127.62 2job s TYR 49 Ca -0.03 0.51 0.08 0.00 -1.01 0.00 0.00 57.07 56.62 2job s TYR 49 Cb -0.14 -2.16 -0.06 0.00 -0.11 0.00 0.00 41.96 39.49 2job s TYR 49 CO -0.03 0.43 -0.08 0.15 -1.11 0.00 0.00 175.55 174.90 2job s LYS 50 N -0.10 1.69 -0.23 -0.62 -0.14 -0.03 -0.69 119.74 119.61 2job s LYS 50 Ca 0.14 -1.86 -0.18 0.00 -1.36 0.00 0.00 55.97 52.71 2job s LYS 50 Cb -0.12 -1.46 0.06 0.00 -1.68 0.00 0.00 37.83 34.64 2job s LYS 50 CO 0.02 0.10 0.60 0.20 -0.76 0.00 0.00 175.35 175.52 2job s GLY 51 N -3.53 -0.49 0.01 -3.33 0.00 -0.32 -0.12 107.32 99.54 2job s GLY 51 Ca 0.31 1.88 0.01 0.00 0.00 0.00 0.00 44.72 46.91 2job s GLY 51 CO 0.14 1.76 -0.03 -1.60 0.00 0.00 0.00 173.10 173.38 2job s ARG 52 N 0.85 0.24 0.02 2.90 3.52 -0.26 -0.43 118.95 125.78 2job s ARG 52 Ca -0.04 -0.34 -0.01 0.00 -0.13 0.00 0.00 55.73 55.21 2job s ARG 52 Cb -0.05 -0.06 -0.02 0.00 -1.56 0.00 0.00 34.95 33.27 2job s ARG 52 CO -0.07 0.00 -0.01 0.00 -0.81 0.00 0.00 175.30 174.42 2job s MET 53 N -0.74 0.29 -0.07 5.12 0.23 0.31 -1.25 119.30 123.19 2job s MET 53 Ca -0.07 -0.51 -0.18 0.00 -1.03 0.00 0.00 55.69 53.90 2job s MET 53 Cb -0.05 0.11 0.04 0.00 -1.53 0.00 0.00 34.83 33.39 2job s MET 53 CO -0.00 -0.05 0.42 1.67 -2.03 0.00 0.00 175.02 175.03 2job s TRP 54 N -1.27 -0.37 -0.66 3.16 -2.14 -0.00 -1.51 118.94 116.15 2job s TRP 54 Ca -0.14 0.72 -0.03 0.00 2.66 0.00 0.00 56.10 59.32 2job s TRP 54 Cb -0.09 0.17 0.17 0.00 -3.10 0.00 0.00 33.47 30.63 2job s TRP 54 CO -0.01 -0.38 0.48 0.00 -2.66 0.00 0.00 176.95 174.39 2job s PRO 56 N -0.27 3.51 0.00 0.00 0.04 -1.26 -3.40 135.00 133.62 2job s PRO 56 Ca 0.18 -1.43 0.00 0.00 0.04 0.00 0.00 61.00 59.80 2job s PRO 56 Cb -0.18 -5.39 0.00 0.00 0.04 0.00 0.00 34.50 28.96 2job s PRO 56 CO -0.05 -2.59 0.00 0.41 0.04 0.00 0.00 177.00 174.81 2job n GLY 57 N 6.09 2.60 0.22 0.56 0.00 -1.26 -4.96 105.19 108.44 2job n GLY 57 Ca 0.42 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.45 -1.07 1.61 7.01 -1.78 -3.50 115.95 117.79 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 0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.21 2job h TRP 58 CO 0.00 -0.17 0.00 -2.37 -2.79 0.00 0.00 178.44 173.11 2job n THR 59 N -5.10 0.00 -2.34 2.65 5.66 -1.23 -5.07 114.28 108.85 2job n THR 59 Ca -0.08 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.65 2job n THR 59 Cb 0.24 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.03 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 5.14 -2.48 1.79 0.00 -1.26 -4.62 120.51 116.07 2job n ALA 60 Ca 0.00 -4.19 -0.25 0.00 0.00 0.00 0.00 53.44 49.00 2job n ALA 60 Cb 0.00 -0.57 -0.12 0.00 0.00 0.00 0.00 19.45 18.76 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 -5.31 1.90 0.21 0.00 1.01 -1.26 -5.09 121.20 112.66 2job s ILE 61 Ca 0.49 -1.70 -0.01 0.00 0.00 0.00 0.00 60.65 59.43 2job s ILE 61 Cb 0.41 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 2job s ILE 61 CO -0.15 -0.09 0.12 0.00 0.00 0.00 0.00 174.94 174.83 2job s ARG 62 N -2.18 1.22 -0.04 2.79 1.70 -1.26 -3.73 118.95 117.44 2job s ARG 62 Ca 0.11 -1.64 0.00 0.00 -0.47 0.00 0.00 55.73 53.73 2job s ARG 62 Cb -0.09 0.21 0.03 0.00 -0.57 0.00 0.00 34.95 34.52 2job s ARG 62 CO 0.06 -0.37 0.00 0.20 -1.08 0.00 0.00 175.30 174.10 2job s GLY 63 N -3.18 0.29 0.38 3.88 0.00 -0.57 -3.83 107.32 104.29 2job s GLY 63 Ca 0.38 0.11 0.07 0.00 0.00 0.00 0.00 44.72 45.28 2job s GLY 63 CO 0.12 0.73 -0.00 -0.54 0.00 0.00 0.00 173.10 173.41 2job s GLU 64 N 1.24 1.87 -0.04 2.90 8.01 -1.26 -0.53 118.70 130.89 2job s GLU 64 Ca -0.07 -2.04 -0.29 0.00 0.01 0.00 0.00 54.97 52.59 2job s GLU 64 Cb -0.13 -1.49 0.10 0.00 -4.31 0.00 0.00 34.13 28.30 2job s GLU 64 CO -0.02 -0.04 0.88 0.00 0.01 0.00 0.00 175.26 176.08 2job s ALA 65 N -2.81 -1.83 -0.23 5.21 0.00 0.43 -3.86 121.76 118.67 2job s ALA 65 Ca 0.35 1.15 -0.15 0.00 0.00 0.00 0.00 51.96 53.31 2job s ALA 65 Cb 0.08 0.13 0.07 0.00 0.00 0.00 0.00 23.12 23.40 2job s ALA 65 CO 0.17 -0.57 0.58 -1.12 0.00 0.00 0.00 175.76 174.82 2job s SER 66 N -2.04 -0.74 0.01 0.00 0.01 -1.26 -1.18 113.70 108.50 2job s SER 66 Ca 0.02 1.24 -0.18 0.00 1.31 0.00 0.00 55.95 58.34 2job s SER 66 Cb -0.01 1.15 0.06 0.00 0.21 0.00 0.00 66.02 67.43 2job s SER 66 CO -0.05 -0.22 0.84 1.07 0.41 0.00 0.00 173.24 175.29 2job n THR 67 N 4.01 0.00 0.11 1.44 5.66 0.13 -4.97 114.28 120.66 2job n THR 67 Ca -0.20 -0.15 -0.23 0.00 -3.05 0.00 0.00 64.05 60.43 2job n THR 67 Cb 0.57 0.41 -0.15 0.00 -1.55 0.00 0.00 70.33 69.61 2job n THR 67 CO 0.00 0.00 0.00 0.08 -3.05 0.00 0.00 175.07 172.10 2job h ARG 68 N 0.00 0.44 -6.73 1.09 0.11 -1.86 0.26 114.38 107.70 2job h ARG 68 Ca -0.15 -0.76 -0.52 0.00 0.10 0.00 0.00 59.98 58.65 2job h ARG 68 Cb 0.80 0.28 0.04 0.00 1.11 0.00 0.00 29.97 32.20 2job h ARG 68 CO 0.21 1.35 0.67 -1.12 0.10 0.00 0.00 179.97 181.18 2job s SER 69 N -7.39 6.83 0.14 0.08 0.01 -1.26 -4.49 113.70 107.62 2job s SER 69 Ca -0.11 2.51 -0.02 0.00 1.31 0.00 0.00 55.95 59.63 2job s SER 69 Cb 0.05 -2.62 -0.06 0.00 0.21 0.00 0.00 66.02 63.60 2job s SER 69 CO 0.90 -0.55 1.33 0.06 0.41 0.00 0.00 173.24 175.39 2job h GLN 70 N 4.88 0.35 0.10 12.44 3.07 -1.95 -3.12 115.11 130.89 2job h GLN 70 Ca -0.46 -0.38 -0.28 0.00 0.09 0.00 0.00 58.65 57.63 2job h GLN 70 Cb 1.22 0.11 -0.01 0.00 0.08 0.00 0.00 27.48 28.87 2job h GLN 70 CO 0.75 1.06 -1.34 0.77 0.09 0.00 0.00 178.83 180.16 2job h SER 71 N 0.20 0.32 -0.69 0.06 0.02 -2.00 -3.26 113.55 108.20 2job h SER 71 Ca -0.07 -0.38 0.01 0.00 -0.84 0.00 0.00 61.79 60.51 2job h SER 71 Cb 1.54 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.94 2job h SER 71 CO 0.15 1.31 0.46 1.23 -1.14 0.00 0.00 176.83 178.84 2job h GLY 72 N 1.98 0.97 1.52 -3.77 0.00 -1.96 -1.72 103.07 100.08 2job h GLY 72 Ca -0.16 -0.35 -0.14 0.00 0.00 0.00 0.00 47.33 46.68 2job h GLY 72 CO 0.17 0.34 -0.45 -0.24 0.00 0.00 0.00 176.54 176.36 2job h VAL 73 N 0.91 1.31 -0.59 4.60 3.04 -1.62 -2.21 116.25 121.69 2job h VAL 73 Ca 0.26 -1.64 -0.07 0.00 -1.01 0.00 0.00 66.70 64.24 2job h VAL 73 Cb -0.06 1.64 -0.02 0.00 -2.01 0.00 0.00 31.29 30.83 2job h VAL 73 CO -0.06 0.51 0.10 0.00 -1.01 0.00 0.00 177.57 177.11 2job h ALA 74 N 1.09 0.78 -0.57 3.17 0.00 -1.38 0.60 119.26 122.96 2job h ALA 74 Ca 0.03 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 2job h ALA 74 Cb 0.95 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2job h ALA 74 CO 0.08 0.53 -0.04 0.78 0.00 0.00 0.00 179.25 180.60 2job h GLY 75 N 0.88 1.10 0.95 0.00 0.00 -1.31 -2.51 103.07 102.18 2job h GLY 75 Ca 0.18 -0.83 -0.08 0.00 0.00 0.00 0.00 47.33 46.60 2job h GLY 75 CO 0.01 0.76 -0.10 0.50 0.00 0.00 0.00 176.54 177.71 2job h LYS 76 N 0.92 0.70 -0.68 4.80 1.57 -1.09 0.14 116.57 122.94 2job h LYS 76 Ca 0.16 -0.28 0.03 0.00 -1.87 0.00 0.00 60.65 58.69 2job h LYS 76 Cb 0.59 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.83 2job h LYS 76 CO 0.04 0.87 0.45 1.15 -0.57 0.00 0.00 179.45 181.38 2job h THR 77 N 0.49 1.11 0.07 -0.16 2.02 -0.76 0.66 112.91 116.34 2job h THR 77 Ca 0.09 -0.28 -0.25 0.00 0.77 0.00 0.00 66.41 66.74 2job h THR 77 Cb 0.62 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2job h THR 77 CO 0.04 0.15 -1.15 0.00 0.37 0.00 0.00 175.52 174.92 2job h ALA 78 N 1.60 0.22 -0.01 6.16 0.00 -1.25 -3.05 119.26 122.94 2job h ALA 78 Ca 0.27 -0.91 -0.21 0.00 0.00 0.00 0.00 54.91 54.05 2job h ALA 78 Cb 0.05 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2job h ALA 78 CO -0.07 1.11 -0.89 -0.22 0.00 0.00 0.00 179.25 179.18 2job h LYS 79 N 0.04 0.32 -0.53 0.00 3.64 0.19 -2.23 116.57 118.00 2job h LYS 79 Ca -0.09 -0.34 -0.11 0.00 -1.27 0.00 0.00 60.65 58.84 2job h LYS 79 Cb 1.89 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.78 2job h LYS 79 CO 0.17 1.03 -0.12 -0.44 -2.27 0.00 0.00 179.45 177.82 2job h ASP 80 N 0.18 1.01 -0.23 4.20 5.19 0.23 0.25 116.42 127.24 2job h ASP 80 Ca -0.06 -0.34 -0.16 0.00 -0.62 0.00 0.00 57.03 55.86 2job h ASP 80 Cb 1.52 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 40.75 2job h ASP 80 CO 0.15 1.12 -0.44 0.15 -3.12 0.00 0.00 179.24 177.10 2job h PHE 81 N 0.89 0.96 -0.54 4.55 3.57 -1.54 -2.62 116.94 122.21 2job h PHE 81 Ca 0.14 -0.30 -0.10 0.00 3.53 0.00 0.00 57.97 61.23 2job h PHE 81 Cb 0.68 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 2job h PHE 81 CO 0.04 1.09 -0.08 0.28 -2.23 0.00 0.00 178.31 177.41 2job h VAL 82 N 0.64 1.26 -0.48 1.41 2.07 -1.19 0.49 116.25 120.45 2job h VAL 82 Ca 0.04 -1.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 2job h VAL 82 Cb 1.01 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 2job h VAL 82 CO 0.10 0.43 0.27 -0.09 0.02 0.00 0.00 177.57 178.29 2job h ARG 83 N 0.88 0.67 -0.31 1.57 2.43 -0.83 0.66 114.38 119.45 2job h ARG 83 Ca 0.15 -0.07 -0.13 0.00 -0.81 0.00 0.00 59.98 59.11 2job h ARG 83 Cb 0.62 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 2job h ARG 83 CO 0.04 0.52 -0.34 -0.22 -1.51 0.00 0.00 179.97 178.46 2job h LYS 84 N 0.64 0.70 -0.28 0.20 3.64 -1.28 -2.19 116.57 117.99 2job h LYS 84 Ca 0.17 -0.33 -0.14 0.00 -1.27 0.00 0.00 60.65 59.08 2job h LYS 84 Cb 0.04 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2job h LYS 84 CO -0.03 0.94 -0.41 0.00 -2.27 0.00 0.00 179.45 177.68 2job h ALA 85 N 1.03 0.75 -0.61 5.00 0.00 -0.40 -2.04 119.26 123.00 2job h ALA 85 Ca 0.06 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 2job h ALA 85 Cb 0.86 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2job h ALA 85 CO 0.07 0.66 0.14 0.74 0.00 0.00 0.00 179.25 180.86 2job h PHE 86 N 0.56 1.03 -0.19 0.00 0.04 0.50 0.18 116.94 119.07 2job h PHE 86 Ca 0.05 -0.13 -0.12 0.00 2.80 0.00 0.00 57.97 60.57 2job h PHE 86 Cb 0.94 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.79 2job h PHE 86 CO 0.05 0.87 -0.40 1.96 -0.60 0.00 0.00 178.31 180.19 2job h GLN 87 N 0.89 0.43 0.05 1.51 4.20 -1.29 -3.27 115.11 117.63 2job h GLN 87 Ca 0.19 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 2job h GLN 87 Cb 0.37 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 2job h GLN 87 CO 0.00 0.76 -0.02 0.87 -0.67 0.00 0.00 178.83 179.77 2job h LYS 88 N 0.36 -0.06 0.00 1.46 6.56 -1.12 -3.49 116.57 120.28 2job h LYS 88 Ca 0.03 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.63 2job h LYS 88 Cb 0.86 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.53 2job h LYS 88 CO 0.07 0.57 0.00 0.41 -2.06 0.00 0.00 179.45 178.44 2job n GLY 89 N 0.92 0.47 0.69 3.86 0.00 -0.02 -5.09 105.19 106.03 2job n GLY 89 Ca -0.08 -0.15 -0.07 0.00 0.00 0.00 0.00 46.02 45.72 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 0.79 -4.26 0.99 4.77 -0.76 -4.90 117.00 113.63 2job n LEU 90 Ca 0.00 0.07 -0.43 0.00 -0.03 0.00 0.00 56.01 55.62 2job n LEU 90 Cb 0.00 -0.21 -0.05 0.00 -2.33 0.00 0.00 43.42 40.82 2job n LEU 90 CO 0.00 0.20 0.19 -0.63 -1.33 0.00 0.00 177.39 175.82 2job s ILE 91 N -2.13 4.86 1.01 -0.08 1.01 -1.26 -4.99 121.20 119.63 2job s ILE 91 Ca -0.10 -2.19 -0.17 0.00 0.00 0.00 0.00 60.65 58.19 2job s ILE 91 Cb 0.04 -4.09 0.22 0.00 0.01 0.00 0.00 42.46 38.63 2job s ILE 91 CO 0.13 -0.91 1.29 -0.44 0.00 0.00 0.00 174.94 175.01 2job s SER 92 N 2.33 2.64 0.02 3.58 0.01 -1.26 -4.74 113.70 116.27 2job s SER 92 Ca 0.12 0.31 -0.27 0.00 1.31 0.00 0.00 55.95 57.42 2job s SER 92 Cb -0.20 -0.37 -0.16 0.00 0.21 0.00 0.00 66.02 65.51 2job s SER 92 CO -0.04 -3.03 1.21 -0.61 0.41 0.00 0.00 173.24 171.18 2job h GLN 93 N -1.85 -0.75 -0.45 12.44 5.75 -1.99 0.27 115.11 128.53 2job h GLN 93 Ca -0.44 0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.07 2job h GLN 93 Cb 1.24 0.17 -0.02 0.00 1.07 0.00 0.00 27.48 29.94 2job h GLN 93 CO 0.36 -0.44 0.11 -0.56 -2.65 0.00 0.00 178.83 175.65 2job h GLN 94 N -1.06 0.67 -0.08 1.69 3.07 -2.01 -1.95 115.11 115.44 2job h GLN 94 Ca -0.08 -0.12 -0.12 0.00 0.09 0.00 0.00 58.65 58.42 2job h GLN 94 Cb 0.66 -0.11 -0.01 0.00 0.08 0.00 0.00 27.48 28.09 2job h GLN 94 CO 0.13 0.61 -0.50 1.49 0.09 0.00 0.00 178.83 180.65 2job h GLU 95 N 0.66 0.21 -0.90 0.06 4.22 -1.92 -2.81 114.58 114.11 2job h GLU 95 Ca 0.15 -0.12 -0.00 0.00 0.08 0.00 0.00 59.36 59.47 2job h GLU 95 Cb 0.24 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 2job h GLU 95 CO -0.00 0.67 0.55 0.00 -2.18 0.00 0.00 179.01 178.04 2job h ALA 96 N 1.32 1.14 -0.27 2.92 0.00 0.33 1.11 119.26 125.82 2job h ALA 96 Ca 0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2job h ALA 96 Cb 0.94 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2job h ALA 96 CO 0.08 0.59 0.10 -0.97 0.00 0.00 0.00 179.25 179.05 2job h ASN 97 N 1.23 0.37 -0.38 0.00 -1.24 -1.30 0.44 115.58 114.70 2job h ASN 97 Ca 0.32 -0.17 -0.09 0.00 0.71 0.00 0.00 56.30 57.08 2job h ASN 97 Cb -0.07 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 38.86 2job h ASN 97 CO -0.06 0.44 -0.07 1.56 -1.29 0.00 0.00 177.43 178.01 2job h GLN 98 N 0.28 0.80 -0.60 6.67 4.20 -1.16 -2.09 115.11 123.22 2job h GLN 98 Ca 0.09 -0.25 -0.08 0.00 0.06 0.00 0.00 58.65 58.47 2job h GLN 98 Cb 0.19 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 2job h GLN 98 CO -0.01 0.85 0.06 2.35 -0.67 0.00 0.00 178.83 181.41 2job h TRP 99 N 0.73 1.07 -0.51 2.96 7.01 0.18 0.13 115.95 127.52 2job h TRP 99 Ca 0.13 -0.15 -0.11 0.00 2.11 0.00 0.00 58.89 60.87 2job h TRP 99 Cb 0.54 -0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 27.29 2job h TRP 99 CO 0.03 0.92 -0.11 -0.07 -2.79 0.00 0.00 178.44 176.42 2job h LEU 100 N 0.93 0.94 -0.03 0.65 3.38 0.22 -3.18 115.31 118.22 2job h LEU 100 Ca 0.18 -0.30 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 2job h LEU 100 Cb 0.46 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.96 2job h LEU 100 CO 0.02 1.06 -0.44 0.28 0.09 0.00 0.00 178.44 179.45 2job h SER 101 N 0.85 0.44 0.00 -0.43 0.02 -1.13 -3.49 113.55 109.81 2job h SER 101 Ca 0.14 -0.72 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 2job h SER 101 Cb 0.65 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2job h SER 101 CO 0.04 1.10 0.00 -1.20 -1.14 0.00 0.00 176.83 175.63