#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 0.27 0.01 4.31 0.00 -1.26 -5.06 121.76 120.04 2job s ALA 2 Ca 0.00 -0.03 0.03 0.00 0.00 0.00 0.00 51.96 51.97 2job s ALA 2 Cb 0.00 -0.88 -0.01 0.00 0.00 0.00 0.00 23.12 22.23 2job s ALA 2 CO 0.00 -0.87 -0.10 1.52 0.00 0.00 0.00 175.76 176.30 2job s TYR 3 N 2.17 0.91 0.00 0.00 1.13 -1.26 -4.84 117.35 115.46 2job s TYR 3 Ca 0.03 -0.26 0.00 0.00 -1.41 0.00 0.00 57.07 55.44 2job s TYR 3 Cb -0.14 -0.56 0.00 0.00 -1.10 0.00 0.00 41.96 40.16 2job s TYR 3 CO -0.07 -0.01 0.00 0.28 -2.51 0.00 0.00 175.55 173.24 2job n VAL 4 N 2.40 0.00 -1.85 -3.49 0.31 -1.26 -4.31 118.33 110.12 2job n VAL 4 Ca -0.16 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.77 2job n VAL 4 Cb 0.56 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.48 2job n VAL 4 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2job n GLN 5 N 0.00 4.03 -0.19 5.55 1.13 -1.26 -4.68 117.38 121.95 2job n GLN 5 Ca 0.00 -3.07 -0.08 0.00 -1.94 0.00 0.00 57.00 51.91 2job n GLN 5 Cb 0.00 -2.79 0.02 0.00 0.11 0.00 0.00 30.24 27.58 2job n GLN 5 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 2job h GLY 6 N 6.77 0.91 1.39 1.08 0.00 -1.89 -2.35 103.07 108.99 2job h GLY 6 Ca 0.68 -0.54 -0.03 0.00 0.00 0.00 0.00 47.33 47.44 2job h GLY 6 CO 1.63 0.51 0.22 0.11 0.00 0.00 0.00 176.54 179.00 2job h TRP 7 N 0.76 0.78 -0.46 5.60 5.08 -1.97 -1.54 115.95 124.20 2job h TRP 7 Ca 0.18 -0.04 -0.11 0.00 1.08 0.00 0.00 58.89 59.99 2job h TRP 7 Cb 0.28 -0.24 -0.02 0.00 -3.00 0.00 0.00 29.16 26.18 2job h TRP 7 CO 0.02 0.61 -0.16 1.49 -1.28 0.00 0.00 178.44 179.11 2job h GLU 8 N 0.78 0.89 -0.64 0.12 4.57 -1.86 -1.88 114.58 116.55 2job h GLU 8 Ca 0.19 -0.34 -0.09 0.00 -1.18 0.00 0.00 59.36 57.94 2job h GLU 8 Cb 0.15 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 2job h GLU 8 CO -0.02 0.99 0.06 0.00 -1.18 0.00 0.00 179.01 178.86 2job h ALA 9 N 1.02 0.88 -0.77 2.92 0.00 -0.90 -1.95 119.26 120.46 2job h ALA 9 Ca 0.12 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 2job h ALA 9 Cb 0.70 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2job h ALA 9 CO 0.05 0.67 0.28 0.28 0.00 0.00 0.00 179.25 180.53 2job h VAL 10 N 1.01 1.26 -0.75 0.00 2.07 -1.05 -1.70 116.25 117.08 2job h VAL 10 Ca 0.19 -0.86 -0.06 0.00 0.82 0.00 0.00 66.70 66.79 2job h VAL 10 Cb 0.50 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 2job h VAL 10 CO 0.02 0.34 0.24 0.00 0.02 0.00 0.00 177.57 178.20 2job h ALA 11 N 1.17 1.01 -0.70 1.67 0.00 -1.03 -1.62 119.26 119.76 2job h ALA 11 Ca 0.25 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2job h ALA 11 Cb 0.25 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2job h ALA 11 CO -0.02 0.67 0.26 0.00 0.00 0.00 0.00 179.25 180.16 2job h ALA 12 N 1.14 0.91 -0.73 0.00 0.00 -0.90 -1.47 119.26 118.22 2job h ALA 12 Ca 0.24 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2job h ALA 12 Cb 0.29 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2job h ALA 12 CO -0.01 0.55 0.23 0.00 0.00 0.00 0.00 179.25 180.03 2job h ALA 13 N 1.12 1.03 -0.72 0.00 0.00 -0.94 -1.69 119.26 118.05 2job h ALA 13 Ca 0.23 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2job h ALA 13 Cb 0.24 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2job h ALA 13 CO -0.02 0.66 0.19 0.28 0.00 0.00 0.00 179.25 180.36 2job h VAL 14 N 1.09 1.26 -0.70 0.00 2.07 -0.89 -1.76 116.25 117.31 2job h VAL 14 Ca 0.24 -0.95 -0.07 0.00 0.82 0.00 0.00 66.70 66.74 2job h VAL 14 Cb 0.30 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 2job h VAL 14 CO -0.01 0.37 0.18 0.00 0.02 0.00 0.00 177.57 178.13 2job h ALA 15 N 1.12 0.98 -0.70 1.67 0.00 -0.87 -1.96 119.26 119.50 2job h ALA 15 Ca 0.23 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2job h ALA 15 Cb 0.35 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2job h ALA 15 CO -0.00 0.66 0.18 1.03 0.00 0.00 0.00 179.25 181.11 2job h SER 16 N 1.06 1.04 0.18 0.00 0.87 -0.95 -2.31 113.55 113.44 2job h SER 16 Ca 0.22 -0.21 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 2job h SER 16 Cb 0.36 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 2job h SER 16 CO 0.00 0.99 -0.25 0.50 -0.53 0.00 0.00 176.83 177.54 2job h LYS 17 N 1.05 0.14 -0.50 2.24 3.64 -0.96 -2.35 116.57 119.82 2job h LYS 17 Ca 0.22 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.52 2job h LYS 17 Cb 0.36 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 2job h LYS 17 CO 0.00 0.38 0.17 0.82 -2.27 0.00 0.00 179.45 178.55 2job h ILE 18 N 0.13 1.23 -0.48 2.00 1.08 -0.79 -0.38 117.51 120.29 2job h ILE 18 Ca 0.02 -0.75 -0.12 0.00 -0.39 0.00 0.00 64.86 63.62 2job h ILE 18 Cb 0.52 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 35.02 2job h ILE 18 CO 0.04 0.28 -0.19 0.58 -0.69 0.00 0.00 178.15 178.17 2job h VAL 19 N 0.68 1.27 0.00 1.67 2.07 -1.30 -1.62 116.25 119.03 2job h VAL 19 Ca 0.16 -1.34 -0.05 0.00 0.82 0.00 0.00 66.70 66.29 2job h VAL 19 Cb 0.26 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 2job h VAL 19 CO -0.01 0.46 -0.23 1.23 0.02 0.00 0.00 177.57 179.04 2job h GLY 20 N 0.82 0.00 -2.98 2.17 0.00 -1.24 -3.09 103.07 98.75 2job h GLY 20 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 47.04 2job h GLY 20 CO 0.06 0.00 -0.42 -0.10 0.00 0.00 0.00 176.54 176.08 2job n LEU 21 N -3.57 4.73 -4.76 3.11 7.94 -0.17 -5.02 117.00 119.25 2job n LEU 21 Ca -0.01 -4.37 -0.36 0.00 -1.11 0.00 0.00 56.01 50.17 2job n LEU 21 Cb 0.38 -0.51 -0.08 0.00 0.53 0.00 0.00 43.42 43.74 2job n LEU 21 CO 0.33 1.75 -0.23 0.86 -1.11 0.00 0.00 177.39 178.99 2job s TRP 22 N -3.50 3.38 0.00 1.96 -0.00 -0.63 -4.44 118.94 115.71 2job s TRP 22 Ca 0.49 0.33 0.00 0.00 -0.00 0.00 0.00 56.10 56.92 2job s TRP 22 Cb 0.41 -1.92 0.00 0.00 -0.00 0.00 0.00 33.47 31.96 2job s TRP 22 CO 0.01 0.53 0.00 -2.13 -0.00 0.00 0.00 176.95 175.35 2job n ARG 23 N 2.38 1.20 -0.29 5.86 3.00 0.33 -4.96 116.66 124.17 2job n ARG 23 Ca -0.19 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 57.78 2job n ARG 23 Cb 0.54 0.00 0.27 0.00 0.00 0.00 0.00 32.46 33.27 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 0.03 -0.02 6.15 -0.26 -1.99 -3.32 115.58 116.16 2job h ASN 24 Ca 0.00 0.18 -0.16 0.00 -0.56 0.00 0.00 56.30 55.76 2job h ASN 24 Cb 0.00 0.24 -0.16 0.00 -1.06 0.00 0.00 38.32 37.34 2job h ASN 24 CO 0.00 -0.12 -0.33 -1.84 -1.06 0.00 0.00 177.43 174.08 2job n GLU 25 N -5.20 0.90 -3.72 0.81 0.28 -1.26 -4.85 120.64 107.61 2job n GLU 25 Ca 0.20 -1.26 -0.14 0.00 -0.16 0.00 0.00 57.16 55.80 2job n GLU 25 Cb 0.64 0.35 -0.08 0.00 1.43 0.00 0.00 31.44 33.79 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 -0.09 0.76 0.32 3.44 2.47 -1.22 -3.63 119.74 121.79 2job s LYS 26 Ca 0.07 -0.20 -0.10 0.00 -1.56 0.00 0.00 55.97 54.19 2job s LYS 26 Cb 0.30 0.34 0.01 0.00 -1.46 0.00 0.00 37.83 37.02 2job s LYS 26 CO -0.08 -0.23 0.56 -0.08 0.16 0.00 0.00 175.35 175.68 2job s THR 27 N -1.59 0.00 -0.06 3.43 -1.32 -0.34 -0.52 115.64 115.23 2job s THR 27 Ca -0.11 -1.37 0.01 0.00 -1.21 0.00 0.00 61.69 59.01 2job s THR 27 Cb -0.04 -2.53 0.02 0.00 -1.51 0.00 0.00 72.50 68.45 2job s THR 27 CO 0.03 0.00 -0.05 -1.83 -2.21 0.00 0.00 174.62 170.56 2job s GLU 28 N -3.22 1.03 -0.19 7.08 -1.05 -1.26 0.22 118.70 121.32 2job s GLU 28 Ca 0.23 -0.14 -0.03 0.00 -0.15 0.00 0.00 54.97 54.89 2job s GLU 28 Cb -0.02 -1.07 -0.01 0.00 -0.44 0.00 0.00 34.13 32.59 2job s GLU 28 CO 0.14 -0.13 -0.06 -0.51 0.95 0.00 0.00 175.26 175.65 2job s LEU 29 N 1.19 2.95 -1.51 1.83 1.43 -0.38 -4.57 118.68 119.61 2job s LEU 29 Ca -0.06 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 2job s LEU 29 Cb -0.14 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.36 2job s LEU 29 CO -0.02 0.06 0.00 -0.11 0.23 0.00 0.00 176.35 176.52 2job n LEU 30 N 4.24 -1.63 0.00 1.79 7.94 -1.26 -0.59 117.00 127.49 2job n LEU 30 Ca -0.18 0.07 0.00 0.00 -1.11 0.00 0.00 56.01 54.79 2job n LEU 30 Cb 0.52 -2.63 0.00 0.00 0.53 0.00 0.00 43.42 41.83 2job n LEU 30 CO 0.30 -0.20 0.00 0.61 -1.11 0.00 0.00 177.39 176.99 2job n GLY 31 N -0.92 1.48 3.92 -3.96 0.00 -1.26 -5.04 105.19 99.41 2job n GLY 31 Ca -0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.79 3.52 0.13 1.61 3.76 0.25 -5.06 115.29 116.70 2job s HIS 32 Ca 0.00 0.60 -0.25 0.00 -0.15 0.00 0.00 55.06 55.26 2job s HIS 32 Cb 0.00 -2.10 -0.07 0.00 1.11 0.00 0.00 32.58 31.52 2job s HIS 32 CO 0.00 -0.02 0.78 -2.00 -0.85 0.00 0.00 174.74 172.65 2job s GLU 33 N -4.31 4.55 0.17 1.40 2.12 -1.26 -1.25 118.70 120.12 2job s GLU 33 Ca 0.44 1.14 -0.03 0.00 0.36 0.00 0.00 54.97 56.88 2job s GLU 33 Cb -0.10 -3.29 -0.03 0.00 0.26 0.00 0.00 34.13 30.96 2job s GLU 33 CO 0.38 0.48 0.15 0.00 -0.54 0.00 0.00 175.26 175.73 2job s LYS 35 N -4.08 2.13 -0.13 0.00 2.47 0.13 -1.20 119.74 119.06 2job s LYS 35 Ca 0.29 -0.99 0.00 0.00 -1.56 0.00 0.00 55.97 53.71 2job s LYS 35 Cb 0.06 -2.58 -0.01 0.00 -1.46 0.00 0.00 37.83 33.84 2job s LYS 35 CO 0.06 -0.46 -0.14 0.12 0.16 0.00 0.00 175.35 175.09 2job s PHE 36 N 1.31 2.78 0.09 4.03 5.36 -1.24 -1.19 117.98 129.12 2job s PHE 36 Ca -0.03 -0.68 -0.02 0.00 -0.96 0.00 0.00 56.93 55.25 2job s PHE 36 Cb -0.17 -1.83 -0.04 0.00 -0.34 0.00 0.00 43.02 40.64 2job s PHE 36 CO -0.08 -0.23 0.03 0.95 -1.46 0.00 0.00 175.22 174.44 2job s THR 37 N 0.33 0.16 0.08 0.12 -4.23 -0.35 -3.44 115.64 108.31 2job s THR 37 Ca -0.11 -1.80 0.04 0.00 -1.18 0.00 0.00 61.69 58.63 2job s THR 37 Cb -0.16 -1.74 -0.03 0.00 1.34 0.00 0.00 72.50 71.91 2job s THR 37 CO 0.06 -0.74 -0.10 0.54 -0.54 0.00 0.00 174.62 173.84 2job s VAL 38 N -3.97 0.87 -0.29 2.29 0.11 -1.26 -1.40 120.40 116.76 2job s VAL 38 Ca 0.14 -1.41 0.03 0.00 -2.93 0.00 0.00 61.98 57.81 2job s VAL 38 Cb 0.07 -1.10 0.18 0.00 -1.53 0.00 0.00 36.38 34.01 2job s VAL 38 CO -0.05 -0.43 0.53 -0.75 -3.33 0.00 0.00 175.10 171.06 2job s LYS 39 N -2.23 0.51 0.47 1.54 2.20 0.25 -4.95 119.74 117.53 2job s LYS 39 Ca -0.00 0.51 -0.20 0.00 -0.36 0.00 0.00 55.97 55.92 2job s LYS 39 Cb -0.06 0.09 -0.09 0.00 -1.51 0.00 0.00 37.83 36.26 2job s LYS 39 CO 0.01 -0.94 0.99 -1.25 -0.36 0.00 0.00 175.35 173.79 2job s PRO 40 N 2.73 3.99 0.16 4.03 0.04 -1.26 -2.59 135.00 142.10 2job s PRO 40 Ca 0.12 1.17 0.01 0.00 0.04 0.00 0.00 61.00 62.34 2job s PRO 40 Cb -0.12 -2.14 -0.00 0.00 0.04 0.00 0.00 34.50 32.28 2job s PRO 40 CO -0.26 -0.24 0.03 0.66 0.04 0.00 0.00 177.00 177.23 2job n TYR 41 N -0.99 0.20 -3.94 0.56 4.01 0.33 -4.91 117.16 112.43 2job n TYR 41 Ca 0.08 -0.89 -0.11 0.00 -0.16 0.00 0.00 57.90 56.82 2job n TYR 41 Cb 0.53 -0.05 -0.13 0.00 -0.31 0.00 0.00 39.34 39.39 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 2.11 0.46 7.72 2.96 -1.26 -2.66 118.68 128.01 2job s LEU 42 Ca 0.04 -0.24 0.05 0.00 -0.22 0.00 0.00 54.13 53.77 2job s LEU 42 Cb 0.00 0.03 -0.03 0.00 0.50 0.00 0.00 46.19 46.69 2job s LEU 42 CO 0.03 -0.14 0.16 -0.75 -1.32 0.00 0.00 176.35 174.34 2job s LYS 43 N -0.70 2.19 0.48 1.98 2.20 0.30 -4.96 119.74 121.24 2job s LYS 43 Ca -0.07 -2.04 0.33 0.00 -0.36 0.00 0.00 55.97 53.83 2job s LYS 43 Cb -0.05 -1.86 1.44 0.00 -1.51 0.00 0.00 37.83 35.85 2job s LYS 43 CO -0.00 -0.26 1.71 0.00 -0.36 0.00 0.00 175.35 176.43 2job h ARG 44 N 1.32 0.11 -0.12 4.03 3.08 -2.05 -3.08 114.38 117.66 2job h ARG 44 Ca -0.42 -0.01 -0.20 0.00 0.07 0.00 0.00 59.98 59.43 2job h ARG 44 Cb 1.28 -0.03 -0.21 0.00 0.08 0.00 0.00 29.97 31.09 2job h ARG 44 CO 0.70 0.08 -0.48 1.97 -1.07 0.00 0.00 179.97 181.16 2job n PHE 45 N -4.39 -1.35 -3.88 3.04 1.16 -1.26 -5.14 117.46 105.64 2job n PHE 45 Ca 0.32 -1.86 -0.07 0.00 -1.87 0.00 0.00 57.45 53.96 2job n PHE 45 Cb 1.34 1.15 -0.02 0.00 -1.61 0.00 0.00 39.48 40.33 2job n PHE 45 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 2job s GLN 46 N -0.76 1.77 -0.07 3.97 -0.21 -1.17 -5.16 119.66 118.03 2job s GLN 46 Ca 0.15 -1.05 0.00 0.00 0.02 0.00 0.00 55.36 54.48 2job s GLN 46 Cb 0.42 0.59 0.02 0.00 1.00 0.00 0.00 33.01 35.04 2job s GLN 46 CO -0.10 -0.80 -0.04 0.08 -2.12 0.00 0.00 175.29 172.31 2job s VAL 47 N -3.88 0.64 0.07 1.09 1.01 -1.26 -0.54 120.40 117.54 2job s VAL 47 Ca 0.13 -0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.07 2job s VAL 47 Cb -0.05 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 2job s VAL 47 CO 0.08 0.28 -0.13 -0.31 0.00 0.00 0.00 175.10 175.01 2job s TYR 48 N 1.42 2.67 -0.25 5.22 1.51 -1.09 -4.79 117.35 122.05 2job s TYR 48 Ca -0.03 -0.19 -0.04 0.00 -1.01 0.00 0.00 57.07 55.81 2job s TYR 48 Cb -0.13 -1.45 0.00 0.00 -0.11 0.00 0.00 41.96 40.27 2job s TYR 48 CO -0.03 0.36 -0.01 0.71 -1.11 0.00 0.00 175.55 175.47 2job s TYR 49 N -1.09 3.04 0.30 2.71 1.51 0.93 -0.51 117.35 124.25 2job s TYR 49 Ca 0.18 -1.08 0.08 0.00 -1.01 0.00 0.00 57.07 55.24 2job s TYR 49 Cb -0.11 -2.14 -0.04 0.00 -0.11 0.00 0.00 41.96 39.56 2job s TYR 49 CO 0.10 -0.59 0.11 0.21 -1.11 0.00 0.00 175.55 174.26 2job s LYS 50 N 1.45 2.43 0.01 -0.62 2.36 -1.07 -0.67 119.74 123.63 2job s LYS 50 Ca 0.04 -1.43 -0.28 0.00 -2.55 0.00 0.00 55.97 51.74 2job s LYS 50 Cb -0.16 -2.23 0.09 0.00 -1.05 0.00 0.00 37.83 34.49 2job s LYS 50 CO -0.02 0.23 0.80 0.20 1.55 0.00 0.00 175.35 178.11 2job s GLY 51 N -3.80 -0.49 -0.17 5.54 0.00 -0.33 -0.58 107.32 107.49 2job s GLY 51 Ca 0.35 1.05 -0.18 0.00 0.00 0.00 0.00 44.72 45.95 2job s GLY 51 CO 0.22 0.47 0.50 -1.60 0.00 0.00 0.00 173.10 172.68 2job s ARG 52 N -2.76 0.62 0.00 2.90 3.52 -0.49 -1.50 118.95 121.24 2job s ARG 52 Ca 0.01 0.61 -0.04 0.00 -0.13 0.00 0.00 55.73 56.17 2job s ARG 52 Cb -0.01 0.30 -0.01 0.00 -1.56 0.00 0.00 34.95 33.67 2job s ARG 52 CO -0.06 -0.09 0.07 0.00 -0.81 0.00 0.00 175.30 174.41 2job s MET 53 N 0.07 0.38 0.27 5.12 0.23 -0.26 -1.21 119.30 123.89 2job s MET 53 Ca -0.02 -0.41 -0.16 0.00 -1.03 0.00 0.00 55.69 54.08 2job s MET 53 Cb -0.03 0.15 0.01 0.00 -1.53 0.00 0.00 34.83 33.43 2job s MET 53 CO 0.01 -0.08 0.59 1.67 -2.03 0.00 0.00 175.02 175.19 2job s TRP 54 N -1.24 0.17 -0.49 3.16 -2.14 -0.33 -1.49 118.94 116.58 2job s TRP 54 Ca -0.13 -0.59 0.04 0.00 2.66 0.00 0.00 56.10 58.07 2job s TRP 54 Cb -0.08 0.42 0.13 0.00 -3.10 0.00 0.00 33.47 30.84 2job s TRP 54 CO 0.00 -1.14 0.23 0.00 -2.66 0.00 0.00 176.95 173.39 2job s PRO 56 N -0.06 3.43 0.00 0.00 0.04 -1.26 -3.32 135.00 133.84 2job s PRO 56 Ca 0.16 -1.41 0.00 0.00 0.04 0.00 0.00 61.00 59.80 2job s PRO 56 Cb -0.25 -5.38 0.00 0.00 0.04 0.00 0.00 34.50 28.91 2job s PRO 56 CO -0.01 -2.70 0.00 0.41 0.04 0.00 0.00 177.00 174.74 2job n GLY 57 N 6.05 1.92 0.12 0.56 0.00 -1.26 -4.89 105.19 107.69 2job n GLY 57 Ca 0.43 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.16 -1.09 1.61 7.01 -1.77 -3.49 115.95 118.05 2job h TRP 58 Ca 0.00 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 2job h TRP 58 Cb 0.00 0.05 0.00 0.00 -2.10 0.00 0.00 29.16 27.11 2job h TRP 58 CO 0.00 0.31 0.00 -2.37 -2.79 0.00 0.00 178.44 173.59 2job n THR 59 N -4.89 0.00 -3.35 2.65 5.66 -1.22 -5.09 114.28 108.04 2job n THR 59 Ca -0.08 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.66 2job n THR 59 Cb 0.27 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.98 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 3.91 -2.46 1.79 0.00 -1.26 -4.60 120.51 114.88 2job n ALA 60 Ca 0.00 -4.59 -0.09 0.00 0.00 0.00 0.00 53.44 48.76 2job n ALA 60 Cb 0.00 -0.87 -0.10 0.00 0.00 0.00 0.00 19.45 18.47 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 -2.51 0.30 0.14 0.00 1.01 -1.26 -5.11 121.20 113.77 2job s ILE 61 Ca 0.40 -1.47 -0.02 0.00 0.00 0.00 0.00 60.65 59.56 2job s ILE 61 Cb 0.17 -1.06 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 2job s ILE 61 CO -0.03 -0.76 0.09 0.00 0.00 0.00 0.00 174.94 174.23 2job s ARG 62 N -2.90 0.98 -0.28 2.79 1.70 -1.26 -3.77 118.95 116.22 2job s ARG 62 Ca -0.01 -1.44 -0.15 0.00 -0.47 0.00 0.00 55.73 53.66 2job s ARG 62 Cb 0.00 0.26 0.08 0.00 -0.57 0.00 0.00 34.95 34.72 2job s ARG 62 CO -0.05 -0.29 0.67 0.20 -1.08 0.00 0.00 175.30 174.74 2job s GLY 63 N -3.06 -0.63 0.16 3.88 0.00 -0.56 -4.43 107.32 102.68 2job s GLY 63 Ca 0.26 2.37 0.00 0.00 0.00 0.00 0.00 44.72 47.35 2job s GLY 63 CO 0.03 2.45 0.04 -1.83 0.00 0.00 0.00 173.10 173.79 2job s GLU 64 N 1.78 1.03 0.17 2.90 -1.05 -1.26 -1.10 118.70 121.16 2job s GLU 64 Ca -0.09 -1.50 -0.21 0.00 -0.15 0.00 0.00 54.97 53.02 2job s GLU 64 Cb -0.06 0.01 0.06 0.00 -0.44 0.00 0.00 34.13 33.70 2job s GLU 64 CO -0.19 -0.21 0.57 0.00 0.95 0.00 0.00 175.26 176.37 2job s ALA 65 N -3.88 -1.40 0.02 -0.84 0.00 -0.56 -4.69 121.76 110.40 2job s ALA 65 Ca 0.25 0.28 -0.05 0.00 0.00 0.00 0.00 51.96 52.44 2job s ALA 65 Cb 0.07 0.85 -0.01 0.00 0.00 0.00 0.00 23.12 24.03 2job s ALA 65 CO 0.03 -0.77 0.09 -1.12 0.00 0.00 0.00 175.76 173.99 2job s SER 66 N -2.78 0.12 0.03 0.00 0.01 -1.26 -1.19 113.70 108.63 2job s SER 66 Ca 0.03 -0.38 -0.20 0.00 1.31 0.00 0.00 55.95 56.71 2job s SER 66 Cb -0.01 0.19 0.07 0.00 0.21 0.00 0.00 66.02 66.48 2job s SER 66 CO -0.11 -0.40 0.89 1.07 0.41 0.00 0.00 173.24 175.11 2job n THR 67 N 1.25 0.00 0.05 1.44 5.66 0.15 -4.98 114.28 117.85 2job n THR 67 Ca -0.22 -0.20 -0.10 0.00 -3.05 0.00 0.00 64.05 60.48 2job n THR 67 Cb 0.56 0.46 -0.13 0.00 -1.55 0.00 0.00 70.33 69.68 2job n THR 67 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 2job h ARG 68 N 0.00 0.08 -7.03 1.09 3.08 -1.86 0.27 114.38 110.01 2job h ARG 68 Ca -0.17 -0.14 -0.52 0.00 0.07 0.00 0.00 59.98 59.22 2job h ARG 68 Cb 0.87 0.05 0.09 0.00 0.08 0.00 0.00 29.97 31.06 2job h ARG 68 CO 0.24 0.95 0.51 -1.54 -1.07 0.00 0.00 179.97 179.07 2job s SER 69 N -6.70 5.82 -0.14 7.04 1.04 -1.26 -4.62 113.70 114.87 2job s SER 69 Ca -0.03 2.43 -0.15 0.00 0.48 0.00 0.00 55.95 58.68 2job s SER 69 Cb 0.09 -2.61 -0.13 0.00 0.10 0.00 0.00 66.02 63.47 2job s SER 69 CO 0.84 -1.17 0.27 1.56 0.98 0.00 0.00 173.24 175.72 2job h GLN 70 N 1.74 0.00 -0.00 4.02 4.20 -1.96 -3.29 115.11 119.82 2job h GLN 70 Ca -0.50 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.04 2job h GLN 70 Cb 1.27 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.03 2job h GLN 70 CO 0.59 0.52 -0.78 0.77 -0.67 0.00 0.00 178.83 179.26 2job h SER 71 N -1.00 0.08 -0.98 1.46 0.02 -2.01 -3.22 113.55 107.90 2job h SER 71 Ca -0.06 -0.06 0.03 0.00 -0.84 0.00 0.00 61.79 60.86 2job h SER 71 Cb 0.66 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 63.12 2job h SER 71 CO -0.04 0.82 0.65 1.23 -1.14 0.00 0.00 176.83 178.35 2job h GLY 72 N 2.14 1.43 1.62 -3.77 0.00 -1.97 -1.64 103.07 100.86 2job h GLY 72 Ca -0.02 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 2job h GLY 72 CO 0.11 0.43 0.03 -0.24 0.00 0.00 0.00 176.54 176.86 2job h VAL 73 N 1.25 1.18 -0.18 4.60 3.04 -1.62 -0.19 116.25 124.33 2job h VAL 73 Ca 0.39 -0.68 -0.02 0.00 -1.01 0.00 0.00 66.70 65.38 2job h VAL 73 Cb -0.02 0.91 -0.01 0.00 -2.01 0.00 0.00 31.29 30.16 2job h VAL 73 CO -0.12 0.24 0.04 0.00 -1.01 0.00 0.00 177.57 176.72 2job h ALA 74 N 1.57 0.24 -0.12 3.17 0.00 -1.40 0.20 119.26 122.92 2job h ALA 74 Ca 0.11 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2job h ALA 74 Cb 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2job h ALA 74 CO 0.00 -0.11 -0.34 0.78 0.00 0.00 0.00 179.25 179.59 2job h GLY 75 N 0.10 0.26 1.07 0.00 0.00 -1.25 -2.41 103.07 100.85 2job h GLY 75 Ca 0.06 -0.22 -0.14 0.00 0.00 0.00 0.00 47.33 47.02 2job h GLY 75 CO 0.00 0.20 -0.33 1.70 0.00 0.00 0.00 176.54 178.11 2job h LYS 76 N 0.21 0.87 -0.62 4.80 1.63 -0.66 -1.07 116.57 121.74 2job h LYS 76 Ca 0.03 -0.45 -0.07 0.00 -0.85 0.00 0.00 60.65 59.31 2job h LYS 76 Cb 0.70 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.32 2job h LYS 76 CO 0.05 1.09 0.12 1.15 -3.45 0.00 0.00 179.45 178.41 2job h THR 77 N 0.67 1.26 -0.16 1.00 2.02 -0.40 -1.58 112.91 115.72 2job h THR 77 Ca 0.06 -0.98 -0.14 0.00 0.77 0.00 0.00 66.41 66.12 2job h THR 77 Cb 0.91 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 2job h THR 77 CO 0.08 0.37 -0.49 0.00 0.37 0.00 0.00 175.52 175.85 2job h ALA 78 N 1.03 0.86 -0.53 6.16 0.00 -1.39 -2.66 119.26 122.75 2job h ALA 78 Ca 0.19 -0.48 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 2job h ALA 78 Cb 0.41 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2job h ALA 78 CO 0.01 0.66 -0.13 -0.22 0.00 0.00 0.00 179.25 179.57 2job h LYS 79 N 0.34 1.01 -0.47 0.00 3.64 -0.91 -1.58 116.57 118.60 2job h LYS 79 Ca 0.02 -0.38 -0.11 0.00 -1.27 0.00 0.00 60.65 58.90 2job h LYS 79 Cb 0.98 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 2job h LYS 79 CO 0.09 1.07 -0.14 -0.44 -2.27 0.00 0.00 179.45 177.76 2job h ASP 80 N 0.89 0.89 -0.53 4.20 3.32 -1.21 -0.72 116.42 123.27 2job h ASP 80 Ca 0.13 -0.29 -0.11 0.00 0.02 0.00 0.00 57.03 56.78 2job h ASP 80 Cb 0.70 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 2job h ASP 80 CO 0.05 1.03 -0.10 0.15 -1.72 0.00 0.00 179.24 178.65 2job h PHE 81 N 0.79 1.12 -0.38 4.55 3.04 -1.33 -2.20 116.94 122.54 2job h PHE 81 Ca 0.12 -0.23 -0.10 0.00 3.98 0.00 0.00 57.97 61.74 2job h PHE 81 Cb 0.66 -0.28 -0.02 0.00 2.56 0.00 0.00 35.95 38.88 2job h PHE 81 CO 0.04 1.04 -0.18 0.28 -2.02 0.00 0.00 178.31 177.47 2job h VAL 82 N 0.87 1.26 -0.62 1.41 2.07 -1.07 -2.29 116.25 117.88 2job h VAL 82 Ca 0.14 -1.25 -0.08 0.00 0.82 0.00 0.00 66.70 66.32 2job h VAL 82 Cb 0.66 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 2job h VAL 82 CO 0.05 0.42 0.07 -0.09 0.02 0.00 0.00 177.57 178.04 2job h ARG 83 N 0.64 1.04 -0.53 1.57 2.43 -0.92 0.11 114.38 118.72 2job h ARG 83 Ca 0.10 -0.28 -0.12 0.00 -0.81 0.00 0.00 59.98 58.87 2job h ARG 83 Cb 0.66 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 2job h ARG 83 CO 0.05 0.97 -0.14 -0.22 -1.51 0.00 0.00 179.97 179.12 2job h LYS 84 N 0.97 1.03 0.00 0.20 1.63 -1.19 -1.20 116.57 118.00 2job h LYS 84 Ca 0.19 -0.40 -0.14 0.00 -0.85 0.00 0.00 60.65 59.45 2job h LYS 84 Cb 0.46 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.01 2job h LYS 84 CO 0.02 1.09 -0.65 0.00 -3.45 0.00 0.00 179.45 176.46 2job h ALA 85 N 0.92 0.88 -0.09 5.00 0.00 -1.19 -2.95 119.26 121.83 2job h ALA 85 Ca 0.13 -0.59 -0.22 0.00 0.00 0.00 0.00 54.91 54.24 2job h ALA 85 Cb 0.72 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.41 2job h ALA 85 CO 0.05 0.81 -0.82 0.35 0.00 0.00 0.00 179.25 179.65 2job h PHE 86 N 0.00 0.83 -0.42 0.00 3.04 -0.56 -0.38 116.94 119.45 2job h PHE 86 Ca -0.01 -0.39 -0.10 0.00 3.98 0.00 0.00 57.97 61.46 2job h PHE 86 Cb 1.18 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 39.55 2job h PHE 86 CO 0.00 1.20 -0.13 0.37 -2.02 0.00 0.00 178.31 177.72 2job h GLN 87 N 0.39 0.76 0.12 1.11 4.15 -1.20 -3.25 115.11 117.20 2job h GLN 87 Ca -0.06 -0.26 -0.01 0.00 0.77 0.00 0.00 58.65 59.10 2job h GLN 87 Cb 1.43 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 29.07 2job h GLN 87 CO 0.15 0.85 -0.06 0.87 -1.93 0.00 0.00 178.83 178.72 2job h LYS 88 N 0.68 -0.16 0.00 1.69 1.79 -1.52 -3.49 116.57 115.57 2job h LYS 88 Ca 0.11 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 2job h LYS 88 Cb 0.61 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 2job h LYS 88 CO 0.04 0.32 0.00 0.41 -1.08 0.00 0.00 179.45 179.14 2job n GLY 89 N 0.77 0.17 1.15 3.86 0.00 -0.71 -5.10 105.19 105.33 2job n GLY 89 Ca -0.08 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.67 -4.60 0.99 4.77 -0.24 -4.97 117.00 113.62 2job n LEU 90 Ca 0.00 0.13 -0.43 0.00 -0.03 0.00 0.00 56.01 55.68 2job n LEU 90 Cb 0.00 -0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 40.89 2job n LEU 90 CO 0.00 -0.55 1.13 -0.63 -1.33 0.00 0.00 177.39 176.01 2job s ILE 91 N -2.00 4.05 0.49 -0.08 1.01 -1.23 -5.01 121.20 118.42 2job s ILE 91 Ca 0.00 1.05 0.01 0.00 0.00 0.00 0.00 60.65 61.71 2job s ILE 91 Cb 0.00 -4.44 0.01 0.00 0.01 0.00 0.00 42.46 38.05 2job s ILE 91 CO 0.00 -0.93 0.71 -0.44 0.00 0.00 0.00 174.94 174.27 2job s SER 92 N 3.21 5.58 0.04 3.58 0.01 -1.26 -4.70 113.70 120.16 2job s SER 92 Ca 0.54 0.10 -0.23 0.00 1.31 0.00 0.00 55.95 57.67 2job s SER 92 Cb -0.10 -1.19 -0.15 0.00 0.21 0.00 0.00 66.02 64.80 2job s SER 92 CO 0.32 -0.89 1.47 -0.61 0.41 0.00 0.00 173.24 173.93 2job h GLN 93 N 0.28 0.16 -0.58 12.44 5.75 -1.99 -1.97 115.11 129.20 2job h GLN 93 Ca -0.44 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 57.97 2job h GLN 93 Cb 1.27 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.78 2job h GLN 93 CO 0.54 0.42 0.21 1.96 -2.65 0.00 0.00 178.83 179.32 2job h GLN 94 N -0.12 0.88 -0.56 1.69 1.08 -1.99 -1.61 115.11 114.48 2job h GLN 94 Ca 0.03 -0.17 -0.02 0.00 -1.45 0.00 0.00 58.65 57.04 2job h GLN 94 Cb 0.35 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.62 2job h GLN 94 CO 0.00 0.77 0.29 0.93 -0.95 0.00 0.00 178.83 179.87 2job h GLU 95 N 0.81 0.80 -0.51 1.46 5.08 -1.95 -1.10 114.58 119.17 2job h GLU 95 Ca 0.19 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 2job h GLU 95 Cb 0.24 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2job h GLU 95 CO -0.01 0.64 0.03 0.00 -1.00 0.00 0.00 179.01 178.66 2job h ALA 96 N 1.12 1.10 -0.45 3.43 0.00 -1.17 -2.06 119.26 121.22 2job h ALA 96 Ca 0.20 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 2job h ALA 96 Cb 0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2job h ALA 96 CO -0.03 0.58 -0.16 -0.97 0.00 0.00 0.00 179.25 178.67 2job h ASN 97 N 0.78 0.87 -0.45 0.00 -1.24 -0.87 -1.81 115.58 112.86 2job h ASN 97 Ca 0.15 -0.30 -0.11 0.00 0.71 0.00 0.00 56.30 56.76 2job h ASN 97 Cb 0.43 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.22 2job h ASN 97 CO 0.02 1.03 -0.12 -0.61 -1.29 0.00 0.00 177.43 176.46 2job h GLN 98 N 0.77 0.93 -0.57 6.67 5.75 -0.91 -1.64 115.11 126.10 2job h GLN 98 Ca 0.11 -0.33 -0.09 0.00 -0.15 0.00 0.00 58.65 58.19 2job h GLN 98 Cb 0.69 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.16 2job h GLN 98 CO 0.05 0.99 0.01 2.35 -2.65 0.00 0.00 178.83 179.59 2job h TRP 99 N 0.83 1.08 -0.17 3.99 7.01 -1.19 -2.46 115.95 125.03 2job h TRP 99 Ca 0.13 -0.18 -0.08 0.00 2.11 0.00 0.00 58.89 60.87 2job h TRP 99 Cb 0.65 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 27.42 2job h TRP 99 CO 0.04 0.96 -0.26 -0.07 -2.79 0.00 0.00 178.44 176.32 2job h LEU 100 N 0.88 0.31 0.39 0.65 3.38 -1.14 -3.18 115.31 116.59 2job h LEU 100 Ca 0.16 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2job h LEU 100 Cb 0.53 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2job h LEU 100 CO 0.03 0.57 -0.19 0.28 0.09 0.00 0.00 178.44 179.23 2job h SER 101 N 0.28 -0.44 0.00 -0.43 0.02 -1.00 -3.52 113.55 108.46 2job h SER 101 Ca 0.04 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2job h SER 101 Cb 0.61 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.27 2job h SER 101 CO 0.04 -0.09 0.00 -1.54 -1.14 0.00 0.00 176.83 174.11