#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2job n ALA 2 N 0.00 0.41 -2.10 0.62 0.00 -1.26 -5.07 120.51 113.11 2job n ALA 2 Ca 0.00 -1.37 -0.39 0.00 0.00 0.00 0.00 53.44 51.68 2job n ALA 2 Cb 0.00 0.97 -0.03 0.00 0.00 0.00 0.00 19.45 20.39 2job n ALA 2 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2job s TYR 3 N -2.66 1.75 -0.43 0.00 2.02 -1.26 -4.86 117.35 111.91 2job s TYR 3 Ca 0.17 0.68 0.05 0.00 -0.37 0.00 0.00 57.07 57.61 2job s TYR 3 Cb 0.01 -4.16 0.19 0.00 -0.40 0.00 0.00 41.96 37.60 2job s TYR 3 CO 0.12 -2.30 0.44 1.55 -1.57 0.00 0.00 175.55 173.80 2job n VAL 4 N 7.12 -0.92 -3.13 0.71 3.14 -1.26 -5.13 118.33 118.86 2job n VAL 4 Ca 0.18 -3.06 -0.20 0.00 -2.96 0.00 0.00 64.34 58.31 2job n VAL 4 Cb 0.51 -1.18 0.05 0.00 -1.06 0.00 0.00 33.84 32.16 2job n VAL 4 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 2job s GLN 5 N 0.04 2.38 0.00 1.45 -1.52 -1.26 -4.83 119.66 115.92 2job s GLN 5 Ca 0.33 -1.62 0.00 0.00 -1.95 0.00 0.00 55.36 52.12 2job s GLN 5 Cb 0.06 -2.60 0.00 0.00 -0.22 0.00 0.00 33.01 30.24 2job s GLN 5 CO -0.17 -0.74 0.00 0.41 -0.25 0.00 0.00 175.29 174.54 2job n GLY 6 N -2.13 1.11 0.22 3.09 0.00 -1.26 -5.01 105.19 101.21 2job n GLY 6 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 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 0.40 -0.60 1.61 4.06 -2.00 -0.22 115.95 119.20 2job h TRP 7 Ca 0.00 0.03 -0.05 0.00 2.06 0.00 0.00 58.89 60.93 2job h TRP 7 Cb 0.00 -0.09 -0.03 0.00 -1.00 0.00 0.00 29.16 28.04 2job h TRP 7 CO 0.00 0.13 0.18 0.93 -3.56 0.00 0.00 178.44 176.12 2job h GLU 8 N 0.42 0.90 -0.70 0.49 3.07 -1.99 -1.65 114.58 115.12 2job h GLU 8 Ca 0.28 -0.17 -0.07 0.00 -0.50 0.00 0.00 59.36 58.89 2job h GLU 8 Cb 0.30 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.04 2job h GLU 8 CO -0.26 0.78 0.16 0.00 -1.40 0.00 0.00 179.01 178.29 2job h ALA 9 N 1.32 0.93 -0.57 3.43 0.00 -1.60 -0.81 119.26 121.96 2job h ALA 9 Ca 0.20 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 2job h ALA 9 Cb 0.26 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2job h ALA 9 CO -0.01 0.66 0.01 0.28 0.00 0.00 0.00 179.25 180.20 2job h VAL 10 N 1.07 1.26 -0.77 0.00 2.07 -0.66 -1.86 116.25 117.36 2job h VAL 10 Ca 0.22 -1.11 -0.05 0.00 0.82 0.00 0.00 66.70 66.58 2job h VAL 10 Cb 0.39 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 2job h VAL 10 CO 0.00 0.40 0.29 0.00 0.02 0.00 0.00 177.57 178.28 2job h ALA 11 N 0.97 1.05 -0.72 1.67 0.00 -1.00 -1.95 119.26 119.28 2job h ALA 11 Ca 0.16 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2job h ALA 11 Cb 0.53 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2job h ALA 11 CO 0.03 0.66 0.32 0.00 0.00 0.00 0.00 179.25 180.26 2job h ALA 12 N 1.18 0.93 -0.74 0.00 0.00 -0.84 -1.07 119.26 118.72 2job h ALA 12 Ca 0.26 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2job h ALA 12 Cb 0.24 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2job h ALA 12 CO -0.02 0.52 0.28 0.00 0.00 0.00 0.00 179.25 180.03 2job h ALA 13 N 1.16 1.09 -0.62 0.00 0.00 -0.93 -0.91 119.26 119.04 2job h ALA 13 Ca 0.24 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2job h ALA 13 Cb 0.16 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2job h ALA 13 CO -0.03 0.64 0.01 0.28 0.00 0.00 0.00 179.25 180.16 2job h VAL 14 N 1.09 1.27 -0.63 0.00 2.07 -0.92 -1.98 116.25 117.14 2job h VAL 14 Ca 0.25 -1.14 -0.06 0.00 0.82 0.00 0.00 66.70 66.57 2job h VAL 14 Cb 0.23 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 2job h VAL 14 CO -0.02 0.42 0.16 0.00 0.02 0.00 0.00 177.57 178.15 2job h ALA 15 N 1.01 1.09 -0.66 1.67 0.00 -0.72 -2.11 119.26 119.54 2job h ALA 15 Ca 0.18 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2job h ALA 15 Cb 0.55 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2job h ALA 15 CO 0.03 0.61 0.21 0.77 0.00 0.00 0.00 179.25 180.87 2job h SER 16 N 0.95 0.96 -0.08 0.00 0.02 -0.84 -2.29 113.55 112.27 2job h SER 16 Ca 0.20 -0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 2job h SER 16 Cb 0.32 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2job h SER 16 CO -0.00 0.91 -0.06 0.50 -1.14 0.00 0.00 176.83 177.03 2job h LYS 17 N 0.96 0.33 -0.16 3.45 3.64 -0.97 0.20 116.57 124.02 2job h LYS 17 Ca 0.21 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 2job h LYS 17 Cb 0.29 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 2job h LYS 17 CO -0.01 0.41 0.08 0.82 -2.27 0.00 0.00 179.45 178.48 2job h ILE 18 N 0.32 1.12 -0.45 2.00 1.08 -0.82 0.21 117.51 120.97 2job h ILE 18 Ca 0.07 -0.35 -0.13 0.00 -0.39 0.00 0.00 64.86 64.06 2job h ILE 18 Cb 0.32 1.06 -0.01 0.00 -3.07 0.00 0.00 36.82 35.11 2job h ILE 18 CO 0.01 0.11 -0.24 0.58 -0.69 0.00 0.00 178.15 177.93 2job h VAL 19 N 0.14 1.27 -0.17 1.67 2.07 -1.20 -1.70 116.25 118.33 2job h VAL 19 Ca 0.06 -1.40 -0.04 0.00 0.82 0.00 0.00 66.70 66.13 2job h VAL 19 Cb 0.11 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2job h VAL 19 CO -0.01 0.48 -0.09 1.23 0.02 0.00 0.00 177.57 179.20 2job h GLY 20 N 0.80 0.28 -3.29 2.17 0.00 -0.74 -2.72 103.07 99.58 2job h GLY 20 Ca 0.10 -0.16 -0.46 0.00 0.00 0.00 0.00 47.33 46.81 2job h GLY 20 CO 0.07 0.15 0.10 -0.10 0.00 0.00 0.00 176.54 176.76 2job n LEU 21 N -4.30 5.69 -4.67 3.11 7.94 0.70 -4.99 117.00 120.49 2job n LEU 21 Ca -0.00 -4.16 -0.35 0.00 -1.11 0.00 0.00 56.01 50.39 2job n LEU 21 Cb 0.24 -0.69 -0.09 0.00 0.53 0.00 0.00 43.42 43.41 2job n LEU 21 CO 0.38 1.52 -0.25 0.86 -1.11 0.00 0.00 177.39 178.78 2job s TRP 22 N -3.51 3.27 0.00 1.96 -0.00 -0.66 -4.14 118.94 115.85 2job s TRP 22 Ca 0.54 0.14 0.00 0.00 -0.00 0.00 0.00 56.10 56.78 2job s TRP 22 Cb 0.45 -2.01 0.00 0.00 -0.00 0.00 0.00 33.47 31.91 2job s TRP 22 CO 0.02 0.28 0.00 -2.13 -0.00 0.00 0.00 176.95 175.12 2job n ARG 23 N 3.09 2.18 -0.28 5.86 0.63 0.65 -4.95 116.66 123.84 2job n ARG 23 Ca -0.17 0.00 0.10 0.00 -0.92 0.00 0.00 57.85 56.86 2job n ARG 23 Cb 0.53 0.00 0.24 0.00 0.45 0.00 0.00 32.46 33.68 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 -0.13 -0.03 6.15 4.21 -1.99 -3.32 115.58 120.47 2job h ASN 24 Ca 0.00 0.20 -0.16 0.00 1.21 0.00 0.00 56.30 57.55 2job h ASN 24 Cb 0.00 0.30 -0.17 0.00 -1.12 0.00 0.00 38.32 37.33 2job h ASN 24 CO 0.00 -0.16 -0.37 -1.84 -1.29 0.00 0.00 177.43 173.77 2job n GLU 25 N -5.27 0.83 -3.87 0.81 0.28 -1.26 -4.80 120.64 107.37 2job n GLU 25 Ca 0.19 -1.32 -0.11 0.00 -0.16 0.00 0.00 57.16 55.75 2job n GLU 25 Cb 0.61 0.30 -0.09 0.00 1.43 0.00 0.00 31.44 33.68 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 -0.19 0.57 0.29 3.44 2.36 -1.19 -3.42 119.74 121.60 2job s LYS 26 Ca 0.08 -0.50 -0.13 0.00 -2.55 0.00 0.00 55.97 52.88 2job s LYS 26 Cb 0.28 0.23 0.01 0.00 -1.05 0.00 0.00 37.83 37.30 2job s LYS 26 CO -0.08 -0.15 0.57 -0.08 1.55 0.00 0.00 175.35 177.16 2job s THR 27 N -1.85 0.00 0.02 3.43 -1.32 -0.44 -0.25 115.64 115.23 2job s THR 27 Ca -0.11 -1.31 0.07 0.00 -1.21 0.00 0.00 61.69 59.13 2job s THR 27 Cb -0.05 -2.36 -0.02 0.00 -1.51 0.00 0.00 72.50 68.56 2job s THR 27 CO -0.00 0.00 -0.21 -1.61 -2.21 0.00 0.00 174.62 170.59 2job s GLU 28 N -3.56 1.48 -0.19 7.08 8.01 -1.26 0.25 118.70 130.51 2job s GLU 28 Ca 0.21 -0.88 -0.00 0.00 0.01 0.00 0.00 54.97 54.31 2job s GLU 28 Cb -0.02 -1.54 0.05 0.00 -4.31 0.00 0.00 34.13 28.30 2job s GLU 28 CO 0.11 0.40 -0.06 -0.51 0.01 0.00 0.00 175.26 175.21 2job s LEU 29 N -0.96 1.97 -1.63 1.80 1.43 0.32 -4.74 118.68 116.86 2job s LEU 29 Ca 0.08 -0.84 0.00 0.00 -1.03 0.00 0.00 54.13 52.33 2job s LEU 29 Cb -0.09 -1.03 0.00 0.00 0.03 0.00 0.00 46.19 45.10 2job s LEU 29 CO 0.01 -0.19 0.00 -0.11 0.23 0.00 0.00 176.35 176.29 2job n LEU 30 N 4.79 -1.57 0.00 1.79 7.94 -1.26 -0.53 117.00 128.16 2job n LEU 30 Ca -0.12 0.16 0.00 0.00 -1.11 0.00 0.00 56.01 54.94 2job n LEU 30 Cb 0.47 -2.63 0.00 0.00 0.53 0.00 0.00 43.42 41.79 2job n LEU 30 CO 0.18 -0.39 0.00 0.61 -1.11 0.00 0.00 177.39 176.67 2job n GLY 31 N -0.77 2.51 3.82 -3.96 0.00 -1.26 -5.05 105.19 100.47 2job n GLY 31 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.52 3.33 0.24 1.61 3.76 0.31 -5.03 115.29 116.99 2job s HIS 32 Ca 0.00 1.55 -0.30 0.00 -0.15 0.00 0.00 55.06 56.16 2job s HIS 32 Cb 0.00 -2.80 -0.09 0.00 1.11 0.00 0.00 32.58 30.80 2job s HIS 32 CO 0.00 -0.07 0.96 -1.21 -0.85 0.00 0.00 174.74 173.57 2job s GLU 33 N -3.13 4.83 0.15 1.40 2.02 -1.26 -0.53 118.70 122.19 2job s GLU 33 Ca 0.60 1.52 -0.01 0.00 0.02 0.00 0.00 54.97 57.11 2job s GLU 33 Cb -0.09 -3.27 -0.04 0.00 0.10 0.00 0.00 34.13 30.82 2job s GLU 33 CO 0.14 0.48 0.07 0.00 0.02 0.00 0.00 175.26 175.97 2job s LYS 35 N -4.07 1.41 -0.15 0.00 2.20 0.21 -1.33 119.74 118.01 2job s LYS 35 Ca 0.27 -1.68 -0.04 0.00 -0.36 0.00 0.00 55.97 54.17 2job s LYS 35 Cb 0.07 -2.97 -0.03 0.00 -1.51 0.00 0.00 37.83 33.40 2job s LYS 35 CO 0.04 -0.91 -0.03 0.12 -0.36 0.00 0.00 175.35 174.22 2job s PHE 36 N 1.05 3.06 0.09 4.03 5.36 -1.22 -1.75 117.98 128.60 2job s PHE 36 Ca 0.09 -0.21 0.03 0.00 -0.96 0.00 0.00 56.93 55.88 2job s PHE 36 Cb -0.19 -1.95 -0.04 0.00 -0.34 0.00 0.00 43.02 40.51 2job s PHE 36 CO -0.10 0.04 -0.08 0.95 -1.46 0.00 0.00 175.22 174.57 2job s THR 37 N 0.22 0.77 -0.07 0.12 -4.23 -0.23 -3.20 115.64 109.03 2job s THR 37 Ca -0.01 -1.73 0.02 0.00 -1.18 0.00 0.00 61.69 58.78 2job s THR 37 Cb -0.14 -1.44 0.01 0.00 1.34 0.00 0.00 72.50 72.28 2job s THR 37 CO 0.03 -0.70 -0.11 -0.69 -0.54 0.00 0.00 174.62 172.60 2job s VAL 38 N -2.93 1.07 -0.28 2.29 1.01 -1.26 -0.90 120.40 119.40 2job s VAL 38 Ca 0.07 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 2job s VAL 38 Cb 0.00 -0.99 0.12 0.00 0.00 0.00 0.00 36.38 35.51 2job s VAL 38 CO -0.02 0.34 0.22 -0.75 0.00 0.00 0.00 175.10 174.89 2job s LYS 39 N 0.76 0.25 0.73 2.72 2.20 0.13 -4.96 119.74 121.57 2job s LYS 39 Ca -0.13 -0.26 -0.11 0.00 -0.36 0.00 0.00 55.97 55.11 2job s LYS 39 Cb -0.15 -0.93 0.03 0.00 -1.51 0.00 0.00 37.83 35.26 2job s LYS 39 CO 0.03 -0.98 1.07 -1.25 -0.36 0.00 0.00 175.35 173.86 2job s PRO 40 N 2.25 2.64 0.20 4.03 0.04 -1.26 -3.69 135.00 139.22 2job s PRO 40 Ca 0.09 0.82 0.01 0.00 0.04 0.00 0.00 61.00 61.96 2job s PRO 40 Cb -0.15 -1.97 -0.00 0.00 0.04 0.00 0.00 34.50 32.42 2job s PRO 40 CO -0.32 -1.28 0.04 0.66 0.04 0.00 0.00 177.00 176.15 2job n TYR 41 N -3.23 0.24 -4.25 0.56 4.01 0.86 -4.90 117.16 110.45 2job n TYR 41 Ca 0.07 -1.17 -0.17 0.00 -0.16 0.00 0.00 57.90 56.47 2job n TYR 41 Cb 0.55 -0.06 -0.14 0.00 -0.31 0.00 0.00 39.34 39.38 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 2.09 0.47 7.72 2.96 -1.26 -2.49 118.68 128.18 2job s LEU 42 Ca 0.06 -0.28 0.04 0.00 -0.22 0.00 0.00 54.13 53.73 2job s LEU 42 Cb 0.00 -0.39 -0.03 0.00 0.50 0.00 0.00 46.19 46.28 2job s LEU 42 CO 0.04 0.02 0.08 -0.75 -1.32 0.00 0.00 176.35 174.43 2job s LYS 43 N -0.65 2.15 0.43 1.98 2.47 0.15 -4.96 119.74 121.30 2job s LYS 43 Ca 0.00 -2.19 0.27 0.00 -1.56 0.00 0.00 55.97 52.49 2job s LYS 43 Cb -0.05 -1.70 1.34 0.00 -1.46 0.00 0.00 37.83 35.95 2job s LYS 43 CO 0.00 -0.27 1.66 0.00 0.16 0.00 0.00 175.35 176.90 2job h ARG 44 N 1.40 0.16 -0.08 4.03 -0.00 -2.05 -3.14 114.38 114.70 2job h ARG 44 Ca -0.43 -0.01 -0.18 0.00 -0.50 0.00 0.00 59.98 58.87 2job h ARG 44 Cb 1.28 -0.04 -0.21 0.00 0.00 0.00 0.00 29.97 31.01 2job h ARG 44 CO 0.73 0.11 -0.49 1.97 0.00 0.00 0.00 179.97 182.29 2job n PHE 45 N -4.68 -0.90 -3.64 3.04 -1.74 -1.26 -5.12 117.46 103.16 2job n PHE 45 Ca 0.34 -1.47 -0.10 0.00 -0.56 0.00 0.00 57.45 55.65 2job n PHE 45 Cb 1.28 0.90 -0.07 0.00 1.52 0.00 0.00 39.48 43.11 2job n PHE 45 CO 0.00 0.00 0.00 -0.65 -0.56 0.00 0.00 176.76 175.55 2job s GLN 46 N -0.64 0.67 -0.24 3.97 -0.21 -1.19 -5.14 119.66 116.88 2job s GLN 46 Ca 0.12 0.86 -0.10 0.00 0.02 0.00 0.00 55.36 56.27 2job s GLN 46 Cb 0.33 0.29 -0.05 0.00 1.00 0.00 0.00 33.01 34.59 2job s GLN 46 CO -0.09 -0.09 0.14 0.08 -2.12 0.00 0.00 175.29 173.21 2job s VAL 47 N 0.57 5.11 0.00 1.09 1.01 -1.26 0.30 120.40 127.22 2job s VAL 47 Ca -0.01 0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.10 2job s VAL 47 Cb -0.05 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 2job s VAL 47 CO -0.06 0.34 -0.10 -0.31 0.00 0.00 0.00 175.10 174.98 2job s TYR 48 N 1.20 2.80 0.26 5.22 2.02 -1.04 -4.87 117.35 122.95 2job s TYR 48 Ca 0.07 -0.09 0.00 0.00 -0.37 0.00 0.00 57.07 56.67 2job s TYR 48 Cb -0.14 -1.59 -0.04 0.00 -0.40 0.00 0.00 41.96 39.79 2job s TYR 48 CO 0.05 0.32 0.45 0.71 -1.57 0.00 0.00 175.55 175.52 2job s TYR 49 N -0.94 3.48 -0.04 2.71 1.51 0.22 -0.10 117.35 124.20 2job s TYR 49 Ca 0.16 0.31 -0.26 0.00 -1.01 0.00 0.00 57.07 56.27 2job s TYR 49 Cb -0.11 -1.84 0.05 0.00 -0.11 0.00 0.00 41.96 39.95 2job s TYR 49 CO 0.06 0.29 0.56 0.21 -1.11 0.00 0.00 175.55 175.55 2job s LYS 50 N -3.77 0.94 -0.04 -0.62 2.20 -1.24 -1.36 119.74 115.85 2job s LYS 50 Ca 0.39 0.10 -0.14 0.00 -0.36 0.00 0.00 55.97 55.95 2job s LYS 50 Cb -0.10 0.44 0.03 0.00 -1.51 0.00 0.00 37.83 36.68 2job s LYS 50 CO 0.31 -0.29 0.32 0.20 -0.36 0.00 0.00 175.35 175.54 2job s GLY 51 N -1.26 -0.18 -0.01 5.54 0.00 -0.10 0.23 107.32 111.53 2job s GLY 51 Ca -0.12 0.48 -0.01 0.00 0.00 0.00 0.00 44.72 45.08 2job s GLY 51 CO 0.08 0.29 0.02 -1.60 0.00 0.00 0.00 173.10 171.88 2job s ARG 52 N -0.98 0.01 0.06 2.90 3.52 -0.08 -1.20 118.95 123.19 2job s ARG 52 Ca -0.10 0.05 0.01 0.00 -0.13 0.00 0.00 55.73 55.55 2job s ARG 52 Cb -0.05 -0.02 -0.04 0.00 -1.56 0.00 0.00 34.95 33.28 2job s ARG 52 CO 0.03 -0.02 -0.05 0.00 -0.81 0.00 0.00 175.30 174.45 2job s MET 53 N 0.16 0.65 -0.15 5.12 0.23 0.14 -1.06 119.30 124.39 2job s MET 53 Ca -0.01 -1.14 -0.28 0.00 -1.03 0.00 0.00 55.69 53.22 2job s MET 53 Cb -0.02 -0.02 0.08 0.00 -1.53 0.00 0.00 34.83 33.34 2job s MET 53 CO -0.00 -0.05 0.73 1.67 -2.03 0.00 0.00 175.02 175.33 2job s TRP 54 N -3.24 -0.68 -0.61 3.16 -2.14 -0.72 -1.11 118.94 113.60 2job s TRP 54 Ca 0.04 1.40 -0.03 0.00 2.66 0.00 0.00 56.10 60.17 2job s TRP 54 Cb 0.03 0.36 0.16 0.00 -3.10 0.00 0.00 33.47 30.92 2job s TRP 54 CO -0.06 -0.49 0.42 0.00 -2.66 0.00 0.00 176.95 174.16 2job s PRO 56 N 0.02 3.24 0.00 0.00 0.04 -1.26 -3.42 135.00 133.63 2job s PRO 56 Ca 0.16 -1.15 0.00 0.00 0.04 0.00 0.00 61.00 60.06 2job s PRO 56 Cb -0.20 -5.31 0.00 0.00 0.04 0.00 0.00 34.50 29.02 2job s PRO 56 CO -0.03 -2.82 0.00 0.41 0.04 0.00 0.00 177.00 174.59 2job n GLY 57 N 6.32 0.75 0.13 0.56 0.00 -1.26 -4.97 105.19 106.72 2job n GLY 57 Ca 0.41 0.02 -0.20 0.00 0.00 0.00 0.00 46.02 46.25 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 0.64 -2.62 1.61 7.01 -1.86 -3.49 115.95 117.25 2job h TRP 58 Ca 0.00 -0.42 -0.07 0.00 2.11 0.00 0.00 58.89 60.52 2job h TRP 58 Cb 0.00 -0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.00 2job h TRP 58 CO 0.00 1.28 0.02 -2.37 -2.79 0.00 0.00 178.44 174.57 2job n THR 59 N -4.11 0.00 -2.36 2.65 5.66 -1.22 -5.07 114.28 109.83 2job n THR 59 Ca -0.13 -0.57 -0.28 0.00 -3.05 0.00 0.00 64.05 60.02 2job n THR 59 Cb 0.80 0.42 0.01 0.00 -1.55 0.00 0.00 70.33 70.00 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 -2.07 5.25 -2.46 1.79 0.00 -1.26 -4.47 120.51 117.29 2job n ALA 60 Ca -0.06 -4.25 -0.26 0.00 0.00 0.00 0.00 53.44 48.87 2job n ALA 60 Cb 0.23 -0.70 -0.11 0.00 0.00 0.00 0.00 19.45 18.87 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 -5.40 2.53 0.12 0.00 1.01 -1.26 -5.11 121.20 113.09 2job s ILE 61 Ca 0.49 -2.08 0.03 0.00 0.00 0.00 0.00 60.65 59.09 2job s ILE 61 Cb 0.41 -2.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 2job s ILE 61 CO -0.19 -0.20 -0.08 0.00 0.00 0.00 0.00 174.94 174.47 2job s ARG 62 N -2.95 0.93 0.02 2.79 1.70 -1.26 -4.00 118.95 116.18 2job s ARG 62 Ca 0.24 -1.39 -0.00 0.00 -0.47 0.00 0.00 55.73 54.11 2job s ARG 62 Cb -0.07 -0.36 -0.02 0.00 -0.57 0.00 0.00 34.95 33.93 2job s ARG 62 CO 0.12 0.01 -0.02 0.20 -1.08 0.00 0.00 175.30 174.54 2job s GLY 63 N -3.10 0.19 0.07 3.88 0.00 -0.27 -4.83 107.32 103.27 2job s GLY 63 Ca 0.14 -0.47 -0.14 0.00 0.00 0.00 0.00 44.72 44.25 2job s GLY 63 CO -0.02 -0.53 0.33 1.85 0.00 0.00 0.00 173.10 174.73 2job s GLU 64 N -1.20 0.91 -0.12 2.90 -6.30 -1.26 -0.68 118.70 112.94 2job s GLU 64 Ca -0.13 -0.60 -0.29 0.00 -2.50 0.00 0.00 54.97 51.45 2job s GLU 64 Cb -0.08 0.39 0.07 0.00 0.00 0.00 0.00 34.13 34.51 2job s GLU 64 CO -0.01 -0.32 0.68 0.00 0.02 0.00 0.00 175.26 175.64 2job s ALA 65 N -3.09 -1.75 0.00 6.30 0.00 -0.34 -4.63 121.76 118.25 2job s ALA 65 Ca -0.01 1.53 -0.00 0.00 0.00 0.00 0.00 51.96 53.47 2job s ALA 65 Cb 0.01 -0.38 -0.00 0.00 0.00 0.00 0.00 23.12 22.75 2job s ALA 65 CO -0.07 -0.36 -0.00 -1.54 0.00 0.00 0.00 175.76 173.79 2job s SER 66 N -0.68 0.04 0.15 0.00 1.04 -1.26 -0.93 113.70 112.06 2job s SER 66 Ca -0.07 -0.08 -0.24 0.00 0.48 0.00 0.00 55.95 56.04 2job s SER 66 Cb -0.02 0.02 0.08 0.00 0.10 0.00 0.00 66.02 66.21 2job s SER 66 CO 0.07 -0.05 1.06 0.28 0.98 0.00 0.00 173.24 175.58 2job s THR 67 N -0.25 0.00 0.18 2.02 -1.32 -0.46 -4.99 115.64 110.81 2job s THR 67 Ca -0.03 -0.54 -0.02 0.00 -1.21 0.00 0.00 61.69 59.89 2job s THR 67 Cb -0.02 -2.69 -0.10 0.00 -1.51 0.00 0.00 72.50 68.18 2job s THR 67 CO -0.00 0.00 1.44 0.03 -2.21 0.00 0.00 174.62 173.88 2job h ARG 68 N 2.00 0.43 -6.85 7.08 3.08 -1.89 0.65 114.38 118.87 2job h ARG 68 Ca -0.27 -0.34 -0.54 0.00 0.07 0.00 0.00 59.98 58.91 2job h ARG 68 Cb 1.22 0.07 0.09 0.00 0.08 0.00 0.00 29.97 31.43 2job h ARG 68 CO 0.33 0.97 0.85 0.43 -1.07 0.00 0.00 179.97 181.49 2job n SER 69 N -3.86 3.88 0.10 7.04 7.64 -1.26 -4.48 113.62 122.68 2job n SER 69 Ca -0.04 1.18 -0.07 0.00 1.01 0.00 0.00 58.87 60.95 2job n SER 69 Cb 0.69 -1.61 -0.04 0.00 -1.01 0.00 0.00 64.21 62.25 2job n SER 69 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2job h GLN 70 N 4.13 -0.34 0.00 1.43 7.50 -1.98 -3.08 115.11 122.76 2job h GLN 70 Ca -0.48 0.02 -0.18 0.00 0.50 0.00 0.00 58.65 58.51 2job h GLN 70 Cb 1.23 0.08 -0.03 0.00 0.05 0.00 0.00 27.48 28.81 2job h GLN 70 CO 0.74 -0.16 -0.85 0.77 -1.50 0.00 0.00 178.83 177.83 2job h SER 71 N -1.07 0.00 -0.85 1.46 0.02 -1.99 -3.26 113.55 107.87 2job h SER 71 Ca -0.04 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.95 2job h SER 71 Cb 0.34 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.83 2job h SER 71 CO 0.06 0.85 0.56 1.23 -1.14 0.00 0.00 176.83 178.38 2job h GLY 72 N 2.99 1.20 1.22 -3.77 0.00 -1.96 -1.65 103.07 101.10 2job h GLY 72 Ca -0.01 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 2job h GLY 72 CO 0.11 0.35 0.34 -0.24 0.00 0.00 0.00 176.54 177.10 2job h VAL 73 N 1.04 1.23 -0.32 4.60 3.04 -1.57 0.09 116.25 124.36 2job h VAL 73 Ca 0.34 -0.64 -0.06 0.00 -1.01 0.00 0.00 66.70 65.33 2job h VAL 73 Cb 0.05 0.31 -0.01 0.00 -2.01 0.00 0.00 31.29 29.64 2job h VAL 73 CO -0.10 0.27 -0.04 0.00 -1.01 0.00 0.00 177.57 176.69 2job h ALA 74 N 1.37 0.43 -0.61 3.17 0.00 -1.45 -1.69 119.26 120.48 2job h ALA 74 Ca 0.25 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2job h ALA 74 Cb 0.10 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2job h ALA 74 CO -0.03 0.22 0.17 0.78 0.00 0.00 0.00 179.25 180.40 2job h GLY 75 N 0.37 0.99 1.05 0.00 0.00 -1.09 -2.34 103.07 102.05 2job h GLY 75 Ca 0.09 -0.57 -0.05 0.00 0.00 0.00 0.00 47.33 46.80 2job h GLY 75 CO 0.02 0.53 0.31 1.70 0.00 0.00 0.00 176.54 179.10 2job h LYS 76 N 0.89 1.19 -0.48 4.80 1.63 -0.72 0.10 116.57 123.98 2job h LYS 76 Ca 0.20 -0.22 -0.03 0.00 -0.85 0.00 0.00 60.65 59.75 2job h LYS 76 Cb 0.28 -0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 31.70 2job h LYS 76 CO -0.01 0.97 0.18 1.15 -3.45 0.00 0.00 179.45 178.29 2job h THR 77 N 1.15 1.21 -0.56 1.00 2.02 -0.89 0.11 112.91 116.97 2job h THR 77 Ca 0.26 -0.68 -0.10 0.00 0.77 0.00 0.00 66.41 66.67 2job h THR 77 Cb 0.23 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 2job h THR 77 CO -0.02 0.25 -0.04 0.00 0.37 0.00 0.00 175.52 176.09 2job h ALA 78 N 1.03 0.89 -0.57 6.16 0.00 -1.10 -1.80 119.26 123.87 2job h ALA 78 Ca 0.16 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 2job h ALA 78 Cb 0.22 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2job h ALA 78 CO -0.01 0.65 -0.01 -0.22 0.00 0.00 0.00 179.25 179.66 2job h LYS 79 N 0.90 0.98 0.00 0.00 3.11 -0.42 -1.23 116.57 119.91 2job h LYS 79 Ca 0.16 -0.30 -0.09 0.00 -2.81 0.00 0.00 60.65 57.60 2job h LYS 79 Cb 0.57 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.69 2job h LYS 79 CO 0.03 0.97 -0.43 -0.44 -2.81 0.00 0.00 179.45 176.77 2job h ASP 80 N 0.90 0.00 0.63 4.20 5.19 -0.53 -2.28 116.42 124.53 2job h ASP 80 Ca 0.16 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.34 2job h ASP 80 Cb 0.54 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.04 2job h ASP 80 CO 0.03 0.43 -1.07 0.15 -3.12 0.00 0.00 179.24 175.67 2job h PHE 81 N 0.00 0.38 -0.30 4.55 3.04 -0.97 -2.89 116.94 120.76 2job h PHE 81 Ca -0.00 -0.25 -0.16 0.00 3.98 0.00 0.00 57.97 61.53 2job h PHE 81 Cb 0.78 -0.03 -0.00 0.00 2.56 0.00 0.00 35.95 39.26 2job h PHE 81 CO 0.00 1.14 -0.47 0.28 -2.02 0.00 0.00 178.31 177.24 2job h VAL 82 N 0.09 1.29 -0.23 1.41 2.07 -1.03 -2.05 116.25 117.79 2job h VAL 82 Ca -0.08 -1.66 -0.15 0.00 0.82 0.00 0.00 66.70 65.63 2job h VAL 82 Cb 1.76 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 33.08 2job h VAL 82 CO 0.17 0.54 -0.46 0.08 0.02 0.00 0.00 177.57 177.91 2job h ARG 83 N 0.62 0.60 -0.61 1.57 -0.00 -1.49 -0.94 114.38 114.14 2job h ARG 83 Ca 0.03 -0.33 -0.08 0.00 -0.00 0.00 0.00 59.98 59.60 2job h ARG 83 Cb 1.04 0.02 -0.02 0.00 -0.00 0.00 0.00 29.97 31.01 2job h ARG 83 CO 0.10 0.94 0.07 0.87 -0.00 0.00 0.00 179.97 181.95 2job h LYS 84 N 0.48 1.02 -0.11 0.08 1.57 -1.44 -1.79 116.57 116.38 2job h LYS 84 Ca 0.03 -0.29 -0.12 0.00 -1.87 0.00 0.00 60.65 58.40 2job h LYS 84 Cb 0.99 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 2job h LYS 84 CO 0.09 0.97 -0.46 0.00 -0.57 0.00 0.00 179.45 179.48 2job h ALA 85 N 1.01 1.01 -0.66 3.86 0.00 -1.23 -2.79 119.26 120.47 2job h ALA 85 Ca 0.18 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 2job h ALA 85 Cb 0.46 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2job h ALA 85 CO 0.02 0.63 0.18 0.74 0.00 0.00 0.00 179.25 180.82 2job h PHE 86 N 0.22 1.08 -0.44 0.00 0.04 -0.72 0.24 116.94 117.36 2job h PHE 86 Ca 0.01 -0.12 -0.07 0.00 2.80 0.00 0.00 57.97 60.59 2job h PHE 86 Cb 0.90 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.72 2job h PHE 86 CO 0.02 0.88 -0.03 1.96 -0.60 0.00 0.00 178.31 180.54 2job h GLN 87 N 0.96 0.74 0.01 1.51 4.20 -1.16 -3.27 115.11 118.09 2job h GLN 87 Ca 0.21 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 2job h GLN 87 Cb 0.33 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.03 2job h GLN 87 CO -0.00 0.77 -0.00 -0.22 -0.67 0.00 0.00 178.83 178.71 2job h LYS 88 N 0.69 -0.01 0.00 1.46 3.11 -1.22 -3.49 116.57 117.10 2job h LYS 88 Ca 0.13 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.97 2job h LYS 88 Cb 0.47 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.70 2job h LYS 88 CO 0.02 0.57 0.00 0.41 -2.81 0.00 0.00 179.45 177.65 2job n GLY 89 N 1.64 0.16 0.92 5.01 0.00 0.73 -5.09 105.19 108.55 2job n GLY 89 Ca -0.06 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 0.55 -4.23 0.99 4.77 -0.48 -4.96 117.00 113.63 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 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 2job n LEU 90 CO 0.00 0.02 0.05 -0.63 -1.33 0.00 0.00 177.39 175.50 2job s ILE 91 N -1.96 4.49 0.73 -0.08 1.01 -1.25 -5.01 121.20 119.14 2job s ILE 91 Ca 0.00 -1.83 -0.12 0.00 0.00 0.00 0.00 60.65 58.69 2job s ILE 91 Cb 0.00 -3.93 0.17 0.00 0.01 0.00 0.00 42.46 38.72 2job s ILE 91 CO 0.00 -0.82 0.93 -0.24 0.00 0.00 0.00 174.94 174.81 2job n SER 92 N 4.84 -0.21 0.22 3.58 2.88 -1.26 -4.41 113.62 119.26 2job n SER 92 Ca -0.07 -1.29 -0.10 0.00 -1.33 0.00 0.00 58.87 56.08 2job n SER 92 Cb 0.41 -0.73 -0.05 0.00 -0.75 0.00 0.00 64.21 63.09 2job n SER 92 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 2job h GLN 93 N 0.00 -0.60 -0.36 -1.46 -0.00 -2.00 -2.83 115.11 107.86 2job h GLN 93 Ca -0.31 0.04 -0.05 0.00 -0.00 0.00 0.00 58.65 58.34 2job h GLN 93 Cb 0.86 0.14 -0.02 0.00 0.00 0.00 0.00 27.48 28.46 2job h GLN 93 CO 0.22 -0.39 0.03 -0.56 0.00 0.00 0.00 178.83 178.12 2job h GLN 94 N -1.16 0.55 -0.73 1.69 3.07 -2.00 -2.73 115.11 113.80 2job h GLN 94 Ca -0.06 -0.11 0.03 0.00 0.09 0.00 0.00 58.65 58.59 2job h GLN 94 Cb 0.49 -0.08 -0.04 0.00 0.08 0.00 0.00 27.48 27.92 2job h GLN 94 CO 0.10 0.56 0.46 0.93 0.09 0.00 0.00 178.83 180.98 2job h GLU 95 N 0.53 0.88 -0.74 0.06 5.08 -1.94 0.59 114.58 119.04 2job h GLU 95 Ca 0.12 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 2job h GLU 95 Cb 0.30 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 2job h GLU 95 CO 0.01 0.58 0.29 0.00 -1.00 0.00 0.00 179.01 178.89 2job h ALA 96 N 1.31 1.12 -0.30 3.43 0.00 -1.22 -1.75 119.26 121.85 2job h ALA 96 Ca 0.29 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 2job h ALA 96 Cb 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2job h ALA 96 CO -0.10 0.63 -0.36 -0.97 0.00 0.00 0.00 179.25 178.45 2job h ASN 97 N 1.08 0.70 -0.59 0.00 -1.24 -1.23 -2.05 115.58 112.25 2job h ASN 97 Ca 0.25 -0.30 -0.03 0.00 0.71 0.00 0.00 56.30 56.94 2job h ASN 97 Cb 0.21 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 39.04 2job h ASN 97 CO -0.02 0.99 0.26 1.56 -1.29 0.00 0.00 177.43 178.93 2job h GLN 98 N 0.56 0.87 -0.61 6.67 1.08 -0.42 -1.29 115.11 121.97 2job h GLN 98 Ca 0.06 -0.15 -0.05 0.00 -1.45 0.00 0.00 58.65 57.06 2job h GLN 98 Cb 0.87 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 28.13 2job h GLN 98 CO 0.08 0.73 0.19 2.35 -0.95 0.00 0.00 178.83 181.23 2job h TRP 99 N 0.82 0.98 -0.73 2.96 7.01 -1.19 -2.41 115.95 123.38 2job h TRP 99 Ca 0.20 -0.10 0.02 0.00 2.11 0.00 0.00 58.89 61.12 2job h TRP 99 Cb 0.17 -0.28 -0.04 0.00 -2.10 0.00 0.00 29.16 26.90 2job h TRP 99 CO 0.01 0.81 0.48 -0.07 -2.79 0.00 0.00 178.44 176.87 2job h LEU 100 N 0.87 0.80 -0.74 0.65 3.38 -0.91 -2.02 115.31 117.34 2job h LEU 100 Ca 0.20 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 2job h LEU 100 Cb 0.28 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2job h LEU 100 CO -0.01 0.56 -0.02 0.28 0.09 0.00 0.00 178.44 179.35 2job h SER 101 N 0.93 0.92 0.00 -0.43 0.02 -0.77 -3.52 113.55 110.71 2job h SER 101 Ca 0.28 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2job h SER 101 Cb -0.03 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.27 2job h SER 101 CO -0.07 0.99 0.00 -1.20 -1.14 0.00 0.00 176.83 175.41