#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 0.08 0.45 0.62 0.00 -1.26 -4.99 121.76 116.66 2job s ALA 2 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.28 2job s ALA 2 Cb 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.71 2job s ALA 2 CO 0.00 -0.25 0.00 0.98 0.00 0.00 0.00 175.76 176.49 2job n TYR 3 N 4.58 -4.49 -0.09 0.00 9.36 -1.26 -4.97 117.16 120.29 2job n TYR 3 Ca -0.19 1.49 -0.07 0.00 3.32 0.00 0.00 57.90 62.45 2job n TYR 3 Cb 0.50 3.65 -0.15 0.00 -0.63 0.00 0.00 39.34 42.71 2job n TYR 3 CO 0.00 0.00 0.00 1.55 0.22 0.00 0.00 176.86 178.63 2job n VAL 4 N -3.45 1.18 -5.04 2.97 3.14 -1.26 -4.95 118.33 110.92 2job n VAL 4 Ca 0.00 -0.78 -0.32 0.00 -2.96 0.00 0.00 64.34 60.29 2job n VAL 4 Cb 0.00 -0.44 -0.14 0.00 -1.06 0.00 0.00 33.84 32.20 2job n VAL 4 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 2job s GLN 5 N -2.56 2.32 0.00 1.45 0.74 -1.26 -4.94 119.66 115.41 2job s GLN 5 Ca -0.09 -0.80 0.00 0.00 0.05 0.00 0.00 55.36 54.51 2job s GLN 5 Cb 0.06 -2.23 0.00 0.00 1.10 0.00 0.00 33.01 31.94 2job s GLN 5 CO 0.79 0.59 0.00 0.41 -0.55 0.00 0.00 175.29 176.53 2job n GLY 6 N 2.31 -0.34 0.13 2.59 0.00 -1.26 -4.78 105.19 103.84 2job n GLY 6 Ca -0.17 -0.10 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 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 0.47 -0.63 1.61 4.06 -2.01 -3.32 115.95 116.14 2job h TRP 7 Ca 0.00 -0.35 -0.03 0.00 2.06 0.00 0.00 58.89 60.57 2job h TRP 7 Cb 0.00 -0.02 -0.03 0.00 -1.00 0.00 0.00 29.16 28.11 2job h TRP 7 CO 0.00 1.58 0.27 0.93 -3.56 0.00 0.00 178.44 177.65 2job h GLU 8 N 0.07 0.91 -0.80 0.49 4.39 -1.98 -1.38 114.58 116.28 2job h GLU 8 Ca -0.35 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.19 2job h GLU 8 Cb 2.05 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 30.50 2job h GLU 8 CO 0.13 0.73 0.41 0.00 -1.16 0.00 0.00 179.01 179.11 2job h ALA 9 N 1.39 1.03 -0.45 3.43 0.00 -1.99 0.34 119.26 123.02 2job h ALA 9 Ca 0.22 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 2job h ALA 9 Cb 0.15 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2job h ALA 9 CO -0.02 0.58 -0.07 0.28 0.00 0.00 0.00 179.25 180.01 2job h VAL 10 N 1.13 1.27 -0.69 0.00 2.07 -1.52 -0.57 116.25 117.94 2job h VAL 10 Ca 0.28 -1.17 -0.08 0.00 0.82 0.00 0.00 66.70 66.56 2job h VAL 10 Cb 0.09 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 2job h VAL 10 CO -0.04 0.40 0.14 0.00 0.02 0.00 0.00 177.57 178.09 2job h ALA 11 N 0.88 0.92 -0.72 1.67 0.00 -0.80 -2.23 119.26 118.97 2job h ALA 11 Ca 0.12 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 2job h ALA 11 Cb 0.60 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2job h ALA 11 CO 0.04 0.66 0.23 0.00 0.00 0.00 0.00 179.25 180.18 2job h ALA 12 N 1.07 1.04 -0.83 0.00 0.00 -0.08 -1.24 119.26 119.22 2job h ALA 12 Ca 0.21 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2job h ALA 12 Cb 0.41 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2job h ALA 12 CO 0.01 0.65 0.39 0.00 0.00 0.00 0.00 179.25 180.29 2job h ALA 13 N 1.18 1.12 -0.40 0.00 0.00 -0.71 0.16 119.26 120.61 2job h ALA 13 Ca 0.23 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 2job h ALA 13 Cb 0.29 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2job h ALA 13 CO -0.01 0.66 -0.36 0.28 0.00 0.00 0.00 179.25 179.83 2job h VAL 14 N 1.19 1.27 -0.54 0.00 2.07 -1.04 -2.04 116.25 117.16 2job h VAL 14 Ca 0.28 -1.53 -0.10 0.00 0.82 0.00 0.00 66.70 66.17 2job h VAL 14 Cb 0.13 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 2job h VAL 14 CO -0.03 0.51 -0.07 0.00 0.02 0.00 0.00 177.57 178.00 2job h ALA 15 N 0.82 0.84 -0.39 1.67 0.00 -0.79 -2.50 119.26 118.91 2job h ALA 15 Ca 0.07 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 2job h ALA 15 Cb 0.94 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2job h ALA 15 CO 0.09 0.66 -0.08 0.66 0.00 0.00 0.00 179.25 180.58 2job h SER 16 N 0.89 0.64 -0.22 0.00 4.64 -0.57 -2.43 113.55 116.50 2job h SER 16 Ca 0.15 -0.17 -0.08 0.00 -0.47 0.00 0.00 61.79 61.22 2job h SER 16 Cb 0.62 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 2job h SER 16 CO 0.04 0.76 -0.11 0.50 -0.87 0.00 0.00 176.83 177.16 2job h LYS 17 N 0.61 0.61 -0.19 4.77 1.63 -1.09 -0.46 116.57 122.44 2job h LYS 17 Ca 0.11 -0.18 -0.02 0.00 -0.85 0.00 0.00 60.65 59.71 2job h LYS 17 Cb 0.50 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.06 2job h LYS 17 CO 0.03 0.70 0.02 0.82 -3.45 0.00 0.00 179.45 177.57 2job h ILE 18 N 0.56 1.23 -0.69 2.00 2.04 -1.03 -1.06 117.51 120.56 2job h ILE 18 Ca 0.10 -0.77 -0.07 0.00 1.00 0.00 0.00 64.86 65.12 2job h ILE 18 Cb 0.51 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 2job h ILE 18 CO 0.03 0.24 0.17 0.58 0.00 0.00 0.00 178.15 179.16 2job h VAL 19 N 0.10 1.26 0.00 1.67 2.07 -1.23 0.16 116.25 120.28 2job h VAL 19 Ca 0.06 -0.96 -0.05 0.00 0.82 0.00 0.00 66.70 66.58 2job h VAL 19 Cb 0.34 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 2job h VAL 19 CO 0.01 0.37 -0.21 1.23 0.02 0.00 0.00 177.57 178.98 2job h GLY 20 N 1.08 0.00 -1.45 2.17 0.00 -0.94 -3.10 103.07 100.83 2job h GLY 20 Ca 0.22 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.47 2job h GLY 20 CO 0.00 0.00 -0.56 -0.10 0.00 0.00 0.00 176.54 175.88 2job n LEU 21 N -3.56 2.95 -4.80 3.11 7.94 -0.41 -5.04 117.00 117.19 2job n LEU 21 Ca -0.01 -3.96 -0.38 0.00 -1.11 0.00 0.00 56.01 50.55 2job n LEU 21 Cb 0.36 -0.48 -0.06 0.00 0.53 0.00 0.00 43.42 43.77 2job n LEU 21 CO 0.33 1.48 0.11 0.86 -1.11 0.00 0.00 177.39 179.05 2job s TRP 22 N -3.20 3.65 0.00 1.96 -0.00 0.49 -4.64 118.94 117.21 2job s TRP 22 Ca 0.40 0.93 0.00 0.00 -0.00 0.00 0.00 56.10 57.42 2job s TRP 22 Cb 0.38 -2.35 0.00 0.00 -0.00 0.00 0.00 33.47 31.49 2job s TRP 22 CO -0.06 0.50 0.00 -2.13 -0.00 0.00 0.00 176.95 175.26 2job n ARG 23 N 2.42 1.32 -0.31 5.86 3.00 -0.14 -4.96 116.66 123.86 2job n ARG 23 Ca -0.12 0.00 0.14 0.00 -0.00 0.00 0.00 57.85 57.87 2job n ARG 23 Cb 0.52 0.00 0.32 0.00 0.00 0.00 0.00 32.46 33.30 2job n ARG 23 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 2job h ASN 24 N 0.00 0.24 -0.00 6.15 -0.26 -1.98 -3.33 115.58 116.39 2job h ASN 24 Ca 0.00 0.17 -0.15 0.00 -0.56 0.00 0.00 56.30 55.77 2job h ASN 24 Cb 0.00 0.18 -0.14 0.00 -1.06 0.00 0.00 38.32 37.30 2job h ASN 24 CO 0.00 -0.07 -0.30 -1.84 -1.06 0.00 0.00 177.43 174.16 2job n GLU 25 N -5.11 0.49 -3.94 0.81 -0.00 -1.26 -4.83 120.64 106.81 2job n GLU 25 Ca 0.23 -1.11 -0.10 0.00 -0.00 0.00 0.00 57.16 56.18 2job n GLU 25 Cb 0.70 0.45 -0.11 0.00 -0.00 0.00 0.00 31.44 32.47 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 0.01 0.28 0.16 3.44 2.36 -1.25 -3.00 119.74 121.73 2job s LYS 26 Ca 0.04 -0.45 -0.17 0.00 -2.55 0.00 0.00 55.97 52.84 2job s LYS 26 Cb 0.17 0.10 0.03 0.00 -1.05 0.00 0.00 37.83 37.08 2job s LYS 26 CO -0.05 -0.05 0.46 -0.08 1.55 0.00 0.00 175.35 177.18 2job s THR 27 N -1.14 0.05 0.14 3.43 -1.32 -0.43 -0.96 115.64 115.41 2job s THR 27 Ca -0.12 -0.63 0.07 0.00 -1.21 0.00 0.00 61.69 59.79 2job s THR 27 Cb -0.08 -1.33 -0.04 0.00 -1.51 0.00 0.00 72.50 69.54 2job s THR 27 CO -0.00 -0.21 -0.03 -1.61 -2.21 0.00 0.00 174.62 170.55 2job s GLU 28 N -3.83 2.33 -0.13 7.08 8.01 -1.26 -0.01 118.70 130.88 2job s GLU 28 Ca 0.06 -1.06 -0.04 0.00 0.01 0.00 0.00 54.97 53.93 2job s GLU 28 Cb 0.01 -2.36 0.06 0.00 -4.31 0.00 0.00 34.13 27.54 2job s GLU 28 CO -0.08 0.48 0.24 -0.51 0.01 0.00 0.00 175.26 175.40 2job s LEU 29 N -2.65 -0.25 -1.37 1.80 1.43 0.14 -4.87 118.68 112.90 2job s LEU 29 Ca 0.25 0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 53.80 2job s LEU 29 Cb -0.10 0.61 0.02 0.00 0.03 0.00 0.00 46.19 46.74 2job s LEU 29 CO 0.17 -0.25 0.26 -0.11 0.23 0.00 0.00 176.35 176.65 2job n LEU 30 N 5.34 -1.76 0.00 1.79 7.94 -1.26 -0.71 117.00 128.34 2job n LEU 30 Ca -0.06 -0.09 0.00 0.00 -1.11 0.00 0.00 56.01 54.75 2job n LEU 30 Cb 0.50 -2.50 0.00 0.00 0.53 0.00 0.00 43.42 41.95 2job n LEU 30 CO 0.03 0.01 0.00 0.61 -1.11 0.00 0.00 177.39 176.93 2job n GLY 31 N -1.10 0.39 3.26 -3.96 0.00 -1.26 -5.05 105.19 97.47 2job n GLY 31 Ca -0.13 -1.04 -0.25 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.00 1.79 0.11 1.61 3.76 0.11 -5.12 115.29 115.56 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 -1.03 -0.06 0.00 1.11 0.00 0.00 32.58 32.60 2job s HIS 32 CO 0.00 0.14 1.11 -2.00 -0.85 0.00 0.00 174.74 173.14 2job s GLU 33 N -1.50 4.54 0.17 1.40 2.56 -1.26 -0.69 118.70 123.92 2job s GLU 33 Ca 0.07 1.69 0.02 0.00 0.00 0.00 0.00 54.97 56.74 2job s GLU 33 Cb -0.09 -3.33 -0.05 0.00 2.00 0.00 0.00 34.13 32.66 2job s GLU 33 CO 0.03 -0.05 0.01 0.00 -0.56 0.00 0.00 175.26 174.68 2job s LYS 35 N -3.93 3.12 -0.12 0.00 2.47 0.76 -1.31 119.74 120.74 2job s LYS 35 Ca 0.23 -0.79 0.01 0.00 -1.56 0.00 0.00 55.97 53.87 2job s LYS 35 Cb 0.06 -2.58 0.02 0.00 -1.46 0.00 0.00 37.83 33.87 2job s LYS 35 CO 0.03 -0.05 -0.16 0.12 0.16 0.00 0.00 175.35 175.46 2job s PHE 36 N 0.94 2.10 0.10 4.03 2.19 -1.16 -1.00 117.98 125.18 2job s PHE 36 Ca -0.03 -1.05 0.05 0.00 0.33 0.00 0.00 56.93 56.22 2job s PHE 36 Cb -0.15 -1.51 -0.04 0.00 -1.31 0.00 0.00 43.02 40.01 2job s PHE 36 CO -0.03 -0.54 -0.12 0.95 1.83 0.00 0.00 175.22 177.31 2job s THR 37 N 1.10 1.11 0.01 0.12 -4.23 -0.06 -3.83 115.64 109.85 2job s THR 37 Ca -0.04 -1.62 0.08 0.00 -1.18 0.00 0.00 61.69 58.93 2job s THR 37 Cb -0.14 -1.38 -0.02 0.00 1.34 0.00 0.00 72.50 72.30 2job s THR 37 CO -0.04 -0.46 -0.23 0.54 -0.54 0.00 0.00 174.62 173.89 2job s VAL 38 N -2.16 1.86 -0.23 2.29 0.11 -1.26 -0.97 120.40 120.04 2job s VAL 38 Ca 0.06 -1.14 -0.03 0.00 -2.93 0.00 0.00 61.98 57.93 2job s VAL 38 Cb -0.05 -1.58 0.11 0.00 -1.53 0.00 0.00 36.38 33.34 2job s VAL 38 CO 0.01 0.40 0.26 -0.75 -3.33 0.00 0.00 175.10 171.70 2job s LYS 39 N -0.88 0.25 0.67 1.54 2.20 0.42 -4.96 119.74 118.97 2job s LYS 39 Ca 0.09 0.17 -0.11 0.00 -0.36 0.00 0.00 55.97 55.76 2job s LYS 39 Cb -0.09 -0.96 -0.01 0.00 -1.51 0.00 0.00 37.83 35.26 2job s LYS 39 CO 0.01 -0.75 1.06 -1.25 -0.36 0.00 0.00 175.35 174.06 2job s PRO 40 N 2.37 3.19 0.24 4.03 0.04 -1.26 -2.46 135.00 141.14 2job s PRO 40 Ca 0.09 0.73 0.03 0.00 0.04 0.00 0.00 61.00 61.88 2job s PRO 40 Cb -0.15 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 2job s PRO 40 CO -0.18 -0.86 0.10 0.66 0.04 0.00 0.00 177.00 176.76 2job n TYR 41 N -2.94 -0.01 -3.65 0.56 4.01 0.21 -4.88 117.16 110.45 2job n TYR 41 Ca 0.07 -1.58 -0.10 0.00 -0.16 0.00 0.00 57.90 56.12 2job n TYR 41 Cb 0.55 0.03 -0.05 0.00 -0.31 0.00 0.00 39.34 39.55 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 0.49 0.33 7.72 0.20 -1.26 -2.48 118.68 123.68 2job s LEU 42 Ca 0.14 -0.32 0.04 0.00 0.69 0.00 0.00 54.13 54.68 2job s LEU 42 Cb 0.01 1.76 -0.03 0.00 -0.43 0.00 0.00 46.19 47.50 2job s LEU 42 CO 0.10 -0.83 0.18 -0.75 -0.29 0.00 0.00 176.35 174.77 2job s LYS 43 N -3.71 1.70 0.44 1.98 2.20 0.80 -4.95 119.74 118.20 2job s LYS 43 Ca 0.02 -1.99 0.29 0.00 -0.36 0.00 0.00 55.97 53.94 2job s LYS 43 Cb 0.02 -0.08 1.38 0.00 -1.51 0.00 0.00 37.83 37.64 2job s LYS 43 CO -0.11 -0.51 1.66 0.00 -0.36 0.00 0.00 175.35 176.03 2job h ARG 44 N 2.12 0.13 -0.12 4.03 3.08 -2.05 -3.07 114.38 118.49 2job h ARG 44 Ca -0.32 -0.01 -0.20 0.00 0.07 0.00 0.00 59.98 59.53 2job h ARG 44 Cb 1.25 -0.03 -0.21 0.00 0.08 0.00 0.00 29.97 31.06 2job h ARG 44 CO 0.49 0.09 -0.48 0.34 -1.07 0.00 0.00 179.97 179.34 2job n PHE 45 N -4.62 -1.41 -3.70 3.04 -0.00 -1.26 -5.13 117.46 104.37 2job n PHE 45 Ca 0.35 -1.88 -0.13 0.00 -0.00 0.00 0.00 57.45 55.79 2job n PHE 45 Cb 1.34 1.17 -0.07 0.00 -0.00 0.00 0.00 39.48 41.92 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 0.81 -0.02 -4.13 -0.21 -1.16 -5.16 119.66 109.09 2job s GLN 46 Ca 0.15 -0.24 0.07 0.00 0.02 0.00 0.00 55.36 55.36 2job s GLN 46 Cb 0.42 0.36 -0.02 0.00 1.00 0.00 0.00 33.01 34.78 2job s GLN 46 CO -0.10 -0.25 -0.22 0.08 -2.12 0.00 0.00 175.29 172.67 2job s VAL 47 N -1.84 1.77 0.08 1.09 1.01 -1.26 -0.14 120.40 121.11 2job s VAL 47 Ca -0.09 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 60.95 2job s VAL 47 Cb -0.03 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 2job s VAL 47 CO 0.02 0.50 -0.07 -0.31 0.00 0.00 0.00 175.10 175.23 2job s TYR 48 N -0.48 0.84 -0.07 5.22 2.02 -1.03 -4.99 117.35 118.85 2job s TYR 48 Ca 0.08 -0.77 0.04 0.00 -0.37 0.00 0.00 57.07 56.05 2job s TYR 48 Cb -0.09 -0.49 -0.00 0.00 -0.40 0.00 0.00 41.96 40.98 2job s TYR 48 CO -0.01 -0.11 -0.21 0.71 -1.57 0.00 0.00 175.55 174.36 2job s TYR 49 N -2.85 2.19 0.18 2.71 1.51 -1.18 -0.62 117.35 119.29 2job s TYR 49 Ca 0.05 -0.79 0.03 0.00 -1.01 0.00 0.00 57.07 55.35 2job s TYR 49 Cb 0.00 -1.48 -0.05 0.00 -0.11 0.00 0.00 41.96 40.33 2job s TYR 49 CO -0.03 -0.30 -0.04 0.21 -1.11 0.00 0.00 175.55 174.28 2job s LYS 50 N 0.23 1.16 -0.20 -0.62 2.20 -1.03 -1.07 119.74 120.42 2job s LYS 50 Ca -0.12 -1.55 -0.24 0.00 -0.36 0.00 0.00 55.97 53.71 2job s LYS 50 Cb -0.16 -0.53 0.06 0.00 -1.51 0.00 0.00 37.83 35.70 2job s LYS 50 CO 0.06 -0.03 0.64 0.20 -0.36 0.00 0.00 175.35 175.85 2job s GLY 51 N -3.22 -0.49 0.05 5.54 0.00 -0.03 -0.44 107.32 108.73 2job s GLY 51 Ca 0.22 1.69 0.04 0.00 0.00 0.00 0.00 44.72 46.68 2job s GLY 51 CO 0.04 1.42 -0.13 0.50 0.00 0.00 0.00 173.10 174.94 2job s ARG 52 N 0.04 0.80 0.07 2.90 0.52 -0.14 -1.23 118.95 121.90 2job s ARG 52 Ca -0.02 -0.78 -0.12 0.00 -0.52 0.00 0.00 55.73 54.29 2job s ARG 52 Cb -0.04 -0.77 0.01 0.00 0.52 0.00 0.00 34.95 34.67 2job s ARG 52 CO 0.02 0.18 0.26 0.00 0.02 0.00 0.00 175.30 175.79 2job s MET 53 N -1.33 0.84 0.26 3.54 0.23 0.12 -0.89 119.30 122.07 2job s MET 53 Ca -0.01 -0.70 -0.20 0.00 -1.03 0.00 0.00 55.69 53.75 2job s MET 53 Cb -0.08 0.36 0.06 0.00 -1.53 0.00 0.00 34.83 33.63 2job s MET 53 CO 0.01 -0.28 0.91 1.67 -2.03 0.00 0.00 175.02 175.31 2job s TRP 54 N -3.15 0.03 -0.38 3.16 -2.14 -0.17 -0.69 118.94 115.59 2job s TRP 54 Ca -0.01 -0.52 0.01 0.00 2.66 0.00 0.00 56.10 58.25 2job s TRP 54 Cb 0.01 0.74 0.12 0.00 -3.10 0.00 0.00 33.47 31.24 2job s TRP 54 CO -0.07 -1.16 0.16 0.00 -2.66 0.00 0.00 176.95 173.23 2job s PRO 56 N 0.87 3.51 0.00 0.00 0.04 -1.26 -3.39 135.00 134.77 2job s PRO 56 Ca 0.14 -1.62 0.00 0.00 0.04 0.00 0.00 61.00 59.56 2job s PRO 56 Cb -0.21 -5.43 0.00 0.00 0.04 0.00 0.00 34.50 28.90 2job s PRO 56 CO -0.10 -2.73 0.00 0.41 0.04 0.00 0.00 177.00 174.62 2job n GLY 57 N 5.73 2.83 0.27 0.56 0.00 -1.26 -4.94 105.19 108.37 2job n GLY 57 Ca 0.46 -0.36 -0.12 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 -0.56 -1.62 1.61 7.01 -1.79 -3.49 115.95 117.11 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 0.18 0.00 0.00 -2.10 0.00 0.00 29.16 27.24 2job h TRP 58 CO 0.00 -0.25 0.00 -2.37 -2.79 0.00 0.00 178.44 173.03 2job n THR 59 N -5.20 0.00 -2.46 2.65 5.66 -1.23 -5.07 114.28 108.63 2job n THR 59 Ca -0.09 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.62 2job n THR 59 Cb 0.29 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.07 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 5.18 -2.47 1.79 0.00 -1.26 -4.64 120.51 116.11 2job n ALA 60 Ca 0.00 -4.33 -0.26 0.00 0.00 0.00 0.00 53.44 48.84 2job n ALA 60 Cb 0.00 -0.68 -0.13 0.00 0.00 0.00 0.00 19.45 18.64 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 -5.44 1.93 0.25 0.00 1.01 -1.26 -5.11 121.20 112.58 2job s ILE 61 Ca 0.48 -1.60 0.04 0.00 0.00 0.00 0.00 60.65 59.58 2job s ILE 61 Cb 0.40 -1.72 -0.05 0.00 0.01 0.00 0.00 42.46 41.09 2job s ILE 61 CO -0.21 0.02 -0.02 0.00 0.00 0.00 0.00 174.94 174.74 2job s ARG 62 N -1.90 1.42 0.02 2.79 1.70 -1.26 -3.91 118.95 117.81 2job s ARG 62 Ca 0.09 -1.72 -0.05 0.00 -0.47 0.00 0.00 55.73 53.59 2job s ARG 62 Cb -0.10 -0.79 -0.01 0.00 -0.57 0.00 0.00 34.95 33.48 2job s ARG 62 CO 0.05 -0.06 0.08 0.20 -1.08 0.00 0.00 175.30 174.49 2job s GLY 63 N -3.36 0.15 0.10 3.88 0.00 0.13 -4.76 107.32 103.48 2job s GLY 63 Ca 0.29 -0.45 -0.16 0.00 0.00 0.00 0.00 44.72 44.40 2job s GLY 63 CO 0.10 -0.57 0.39 1.85 0.00 0.00 0.00 173.10 174.87 2job s GLU 64 N -2.04 1.02 -0.18 2.90 2.12 -1.26 -0.70 118.70 120.57 2job s GLU 64 Ca -0.10 -0.64 -0.29 0.00 0.36 0.00 0.00 54.97 54.30 2job s GLU 64 Cb -0.05 0.45 0.13 0.00 0.26 0.00 0.00 34.13 34.92 2job s GLU 64 CO -0.02 -0.39 1.00 0.00 -0.54 0.00 0.00 175.26 175.31 2job s ALA 65 N -3.50 -1.94 0.02 6.30 0.00 -0.37 -4.55 121.76 117.74 2job s ALA 65 Ca 0.01 1.62 0.01 0.00 0.00 0.00 0.00 51.96 53.61 2job s ALA 65 Cb 0.01 -0.81 -0.02 0.00 0.00 0.00 0.00 23.12 22.31 2job s ALA 65 CO -0.10 -0.30 -0.05 -1.12 0.00 0.00 0.00 175.76 174.19 2job s SER 66 N -0.92 0.55 0.08 0.00 0.01 -1.26 -0.85 113.70 111.31 2job s SER 66 Ca -0.01 -0.41 -0.27 0.00 1.31 0.00 0.00 55.95 56.56 2job s SER 66 Cb -0.01 0.04 0.09 0.00 0.21 0.00 0.00 66.02 66.35 2job s SER 66 CO 0.01 -0.17 1.12 0.28 0.41 0.00 0.00 173.24 174.88 2job s THR 67 N -1.08 0.00 0.11 1.44 -1.32 -0.23 -4.97 115.64 109.59 2job s THR 67 Ca -0.09 -0.45 -0.14 0.00 -1.21 0.00 0.00 61.69 59.80 2job s THR 67 Cb -0.08 -2.14 -0.06 0.00 -1.51 0.00 0.00 72.50 68.71 2job s THR 67 CO -0.00 0.00 1.46 0.08 -2.21 0.00 0.00 174.62 173.95 2job h ARG 68 N 2.00 0.76 -6.85 7.08 0.11 -1.95 -3.12 114.38 112.41 2job h ARG 68 Ca -0.27 -0.37 -0.52 0.00 0.10 0.00 0.00 59.98 58.92 2job h ARG 68 Cb 1.22 -0.00 0.06 0.00 1.11 0.00 0.00 29.97 32.36 2job h ARG 68 CO 0.28 0.99 0.66 -1.54 0.10 0.00 0.00 179.97 180.46 2job s SER 69 N -6.54 6.76 -0.06 0.08 1.04 -1.26 -4.74 113.70 108.98 2job s SER 69 Ca -0.12 2.68 -0.24 0.00 0.48 0.00 0.00 55.95 58.74 2job s SER 69 Cb 0.09 -2.64 -0.19 0.00 0.10 0.00 0.00 66.02 63.38 2job s SER 69 CO 0.83 -0.56 0.99 -0.61 0.98 0.00 0.00 173.24 174.87 2job h GLN 70 N 3.72 -0.10 -0.10 4.02 4.15 -1.98 -2.76 115.11 122.06 2job h GLN 70 Ca -0.48 0.01 -0.17 0.00 0.77 0.00 0.00 58.65 58.78 2job h GLN 70 Cb 1.22 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.93 2job h GLN 70 CO 0.68 0.45 -0.65 0.77 -1.93 0.00 0.00 178.83 178.15 2job h SER 71 N -0.75 0.47 -0.61 -0.69 0.02 -1.98 -3.13 113.55 106.87 2job h SER 71 Ca -0.01 -0.28 -0.01 0.00 -0.84 0.00 0.00 61.79 60.65 2job h SER 71 Cb 0.59 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.96 2job h SER 71 CO 0.02 0.99 0.35 1.23 -1.14 0.00 0.00 176.83 178.28 2job h GLY 72 N 1.26 0.91 1.25 -3.77 0.00 -1.96 -2.24 103.07 98.53 2job h GLY 72 Ca -0.01 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 46.88 2job h GLY 72 CO 0.11 0.38 0.21 -0.24 0.00 0.00 0.00 176.54 177.00 2job h VAL 73 N 0.87 1.23 -0.37 4.60 3.04 -1.43 -1.67 116.25 122.53 2job h VAL 73 Ca 0.22 -0.78 -0.13 0.00 -1.01 0.00 0.00 66.70 65.00 2job h VAL 73 Cb 0.01 0.52 -0.01 0.00 -2.01 0.00 0.00 31.29 29.79 2job h VAL 73 CO -0.04 0.30 -0.30 0.00 -1.01 0.00 0.00 177.57 176.53 2job h ALA 74 N 1.31 0.78 -0.60 3.17 0.00 -1.48 -2.02 119.26 120.42 2job h ALA 74 Ca 0.21 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 2job h ALA 74 Cb 0.24 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2job h ALA 74 CO -0.01 0.65 0.06 0.78 0.00 0.00 0.00 179.25 180.73 2job h GLY 75 N 0.93 1.07 1.06 0.00 0.00 -1.06 -2.42 103.07 102.66 2job h GLY 75 Ca 0.08 -0.72 -0.12 0.00 0.00 0.00 0.00 47.33 46.57 2job h GLY 75 CO 0.07 0.66 -0.19 1.70 0.00 0.00 0.00 176.54 178.79 2job h LYS 76 N 0.93 0.92 -0.75 4.80 3.64 -1.13 0.92 116.57 125.90 2job h LYS 76 Ca 0.18 -0.39 -0.02 0.00 -1.27 0.00 0.00 60.65 59.16 2job h LYS 76 Cb 0.45 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 2job h LYS 76 CO 0.02 1.05 0.41 1.15 -2.27 0.00 0.00 179.45 179.80 2job h THR 77 N 0.76 1.22 0.06 1.00 2.02 -1.17 0.19 112.91 117.00 2job h THR 77 Ca 0.10 -0.57 -0.25 0.00 0.77 0.00 0.00 66.41 66.47 2job h THR 77 Cb 0.75 0.21 0.01 0.00 -1.74 0.00 0.00 68.15 67.38 2job h THR 77 CO 0.06 0.25 -1.08 0.00 0.37 0.00 0.00 175.52 175.13 2job h ALA 78 N 1.39 0.23 -0.42 6.16 0.00 -1.28 -2.73 119.26 122.61 2job h ALA 78 Ca 0.27 -0.77 -0.14 0.00 0.00 0.00 0.00 54.91 54.27 2job h ALA 78 Cb 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2job h ALA 78 CO -0.04 0.84 -0.28 -0.22 0.00 0.00 0.00 179.25 179.55 2job h LYS 79 N 0.19 0.90 -0.24 0.00 3.64 -0.36 -1.97 116.57 118.73 2job h LYS 79 Ca -0.11 -0.41 -0.10 0.00 -1.27 0.00 0.00 60.65 58.76 2job h LYS 79 Cb 1.74 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.53 2job h LYS 79 CO 0.19 1.06 -0.27 -0.44 -2.27 0.00 0.00 179.45 177.72 2job h ASP 80 N 0.77 0.47 -0.44 4.20 3.32 -0.68 -1.70 116.42 122.36 2job h ASP 80 Ca 0.09 -0.16 -0.12 0.00 0.02 0.00 0.00 57.03 56.86 2job h ASP 80 Cb 0.84 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 2job h ASP 80 CO 0.07 0.73 -0.18 0.15 -1.72 0.00 0.00 179.24 178.30 2job h PHE 81 N 0.41 1.03 -0.37 4.55 3.04 -1.26 -2.20 116.94 122.13 2job h PHE 81 Ca 0.06 -0.24 -0.10 0.00 3.98 0.00 0.00 57.97 61.67 2job h PHE 81 Cb 0.68 -0.24 -0.02 0.00 2.56 0.00 0.00 35.95 38.94 2job h PHE 81 CO 0.02 1.03 -0.17 0.28 -2.02 0.00 0.00 178.31 177.45 2job h VAL 82 N 0.73 1.26 -0.67 1.41 2.07 -1.15 -1.48 116.25 118.42 2job h VAL 82 Ca 0.10 -1.22 -0.04 0.00 0.82 0.00 0.00 66.70 66.37 2job h VAL 82 Cb 0.74 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 2job h VAL 82 CO 0.06 0.40 0.26 -0.09 0.02 0.00 0.00 177.57 178.23 2job h ARG 83 N 0.62 1.00 -0.58 1.57 2.43 -1.13 0.26 114.38 118.54 2job h ARG 83 Ca 0.10 -0.18 -0.11 0.00 -0.81 0.00 0.00 59.98 58.98 2job h ARG 83 Cb 0.63 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 2job h ARG 83 CO 0.04 0.84 -0.05 0.87 -1.51 0.00 0.00 179.97 180.16 2job h LYS 84 N 0.95 1.06 -0.26 0.20 6.56 -1.13 -1.68 116.57 122.27 2job h LYS 84 Ca 0.22 -0.36 -0.11 0.00 -1.06 0.00 0.00 60.65 59.34 2job h LYS 84 Cb 0.21 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 31.78 2job h LYS 84 CO -0.02 1.06 -0.31 0.00 -2.06 0.00 0.00 179.45 178.13 2job h ALA 85 N 0.96 0.98 -0.35 3.86 0.00 -0.87 -2.78 119.26 121.07 2job h ALA 85 Ca 0.16 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 2job h ALA 85 Cb 0.62 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2job h ALA 85 CO 0.04 0.60 -0.17 0.35 0.00 0.00 0.00 179.25 180.08 2job h PHE 86 N 0.46 0.70 -0.90 0.00 3.04 -0.20 0.65 116.94 120.70 2job h PHE 86 Ca 0.06 -0.13 -0.02 0.00 3.98 0.00 0.00 57.97 61.86 2job h PHE 86 Cb 0.77 -0.18 -0.04 0.00 2.56 0.00 0.00 35.95 39.06 2job h PHE 86 CO 0.03 0.76 0.49 0.37 -2.02 0.00 0.00 178.31 177.95 2job h GLN 87 N 0.57 1.25 0.00 1.11 4.15 -1.03 -3.29 115.11 117.88 2job h GLN 87 Ca 0.09 -0.15 -0.00 0.00 0.77 0.00 0.00 58.65 59.36 2job h GLN 87 Cb 0.61 -0.25 -0.00 0.00 0.21 0.00 0.00 27.48 28.05 2job h GLN 87 CO 0.04 0.92 -0.12 -0.22 -1.93 0.00 0.00 178.83 177.51 2job h LYS 88 N 1.26 0.00 0.00 1.69 3.64 -1.38 -3.49 116.57 118.29 2job h LYS 88 Ca 0.32 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 2job h LYS 88 Cb 0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2job h LYS 88 CO -0.05 0.09 0.00 0.41 -2.27 0.00 0.00 179.45 177.63 2job n GLY 89 N 1.73 -0.04 0.52 5.01 0.00 0.11 -5.09 105.19 107.44 2job n GLY 89 Ca -0.03 -0.02 -0.06 0.00 0.00 0.00 0.00 46.02 45.91 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 1.37 -4.20 0.99 4.77 -0.55 -4.89 117.00 114.49 2job n LEU 90 Ca 0.00 0.04 -0.41 0.00 -0.03 0.00 0.00 56.01 55.61 2job n LEU 90 Cb 0.00 -0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 40.82 2job n LEU 90 CO 0.00 0.31 0.23 -0.63 -1.33 0.00 0.00 177.39 175.96 2job s ILE 91 N -2.13 4.61 0.84 -0.08 1.01 -1.25 -5.01 121.20 119.19 2job s ILE 91 Ca -0.09 -2.77 -0.11 0.00 0.00 0.00 0.00 60.65 57.68 2job s ILE 91 Cb 0.03 -3.91 0.09 0.00 0.01 0.00 0.00 42.46 38.68 2job s ILE 91 CO 0.13 -0.95 1.09 -0.44 0.00 0.00 0.00 174.94 174.77 2job s SER 92 N 1.33 4.05 0.08 3.58 0.01 -1.26 -4.51 113.70 116.98 2job s SER 92 Ca 0.18 1.49 -0.25 0.00 1.31 0.00 0.00 55.95 58.68 2job s SER 92 Cb -0.15 -2.20 -0.16 0.00 0.21 0.00 0.00 66.02 63.71 2job s SER 92 CO -0.06 -2.27 1.71 -0.61 0.41 0.00 0.00 173.24 172.41 2job h GLN 93 N -1.30 -0.15 -0.60 12.44 -0.00 -2.00 -0.86 115.11 122.65 2job h GLN 93 Ca -0.47 0.01 -0.06 0.00 -0.00 0.00 0.00 58.65 58.13 2job h GLN 93 Cb 1.27 0.03 -0.02 0.00 0.00 0.00 0.00 27.48 28.76 2job h GLN 93 CO 0.56 -0.09 0.16 0.37 0.00 0.00 0.00 178.83 179.83 2job h GLN 94 N -0.17 0.95 -0.86 1.69 4.15 -2.00 -2.68 115.11 116.18 2job h GLN 94 Ca -0.02 -0.22 0.02 0.00 0.77 0.00 0.00 58.65 59.21 2job h GLN 94 Cb 0.13 -0.13 -0.05 0.00 0.21 0.00 0.00 27.48 27.65 2job h GLN 94 CO 0.03 0.86 0.56 0.93 -1.93 0.00 0.00 178.83 179.28 2job h GLU 95 N 0.86 1.08 -0.73 1.69 3.07 -1.88 -1.09 114.58 117.59 2job h GLU 95 Ca 0.19 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.97 2job h GLU 95 Cb 0.33 -0.24 -0.03 0.00 -0.84 0.00 0.00 28.75 27.96 2job h GLU 95 CO -0.00 0.71 0.41 0.00 -1.40 0.00 0.00 179.01 178.73 2job h ALA 96 N 1.34 0.93 -0.60 3.43 0.00 -0.91 -1.16 119.26 122.29 2job h ALA 96 Ca 0.33 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2job h ALA 96 Cb -0.04 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 2job h ALA 96 CO -0.10 0.43 0.25 -0.97 0.00 0.00 0.00 179.25 178.86 2job h ASN 97 N 1.00 0.82 -0.94 0.00 -1.24 -1.05 -1.18 115.58 112.98 2job h ASN 97 Ca 0.26 -0.16 -0.00 0.00 0.71 0.00 0.00 56.30 57.10 2job h ASN 97 Cb 0.02 -0.21 -0.05 0.00 0.73 0.00 0.00 38.32 38.81 2job h ASN 97 CO -0.04 0.76 0.58 1.56 -1.29 0.00 0.00 177.43 179.00 2job h GLN 98 N 0.83 1.27 -0.56 6.67 1.08 -0.72 -1.16 115.11 122.53 2job h GLN 98 Ca 0.20 -0.10 -0.08 0.00 -1.45 0.00 0.00 58.65 57.22 2job h GLN 98 Cb 0.19 -0.27 -0.02 0.00 -0.05 0.00 0.00 27.48 27.32 2job h GLN 98 CO -0.02 0.87 0.03 2.35 -0.95 0.00 0.00 178.83 181.11 2job h TRP 99 N 1.29 1.00 -0.64 2.96 7.01 -0.78 0.23 115.95 127.03 2job h TRP 99 Ca 0.34 -0.15 -0.08 0.00 2.11 0.00 0.00 58.89 61.12 2job h TRP 99 Cb -0.08 -0.27 -0.03 0.00 -2.10 0.00 0.00 29.16 26.68 2job h TRP 99 CO 0.00 0.89 0.10 -0.07 -2.79 0.00 0.00 178.44 176.57 2job h LEU 100 N 0.87 1.01 0.00 0.65 3.38 -0.42 -3.26 115.31 117.54 2job h LEU 100 Ca 0.17 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2job h LEU 100 Cb 0.47 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2job h LEU 100 CO 0.02 1.00 -0.00 0.28 0.09 0.00 0.00 178.44 179.83 2job h SER 101 N 0.98 -0.00 0.00 -0.43 0.02 -0.98 -3.52 113.55 109.63 2job h SER 101 Ca 0.20 -0.86 0.00 0.00 -0.84 0.00 0.00 61.79 60.29 2job h SER 101 Cb 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2job h SER 101 CO 0.01 0.91 0.00 -1.54 -1.14 0.00 0.00 176.83 175.08