#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 3.57 -0.22 0.62 0.00 -1.26 -4.98 121.76 119.49 2job s ALA 2 Ca 0.00 -0.58 -0.16 0.00 0.00 0.00 0.00 51.96 51.22 2job s ALA 2 Cb 0.00 -2.56 -0.11 0.00 0.00 0.00 0.00 23.12 20.45 2job s ALA 2 CO 0.00 -0.24 -0.20 0.98 0.00 0.00 0.00 175.76 176.29 2job n TYR 3 N 4.35 0.35 -4.03 0.00 4.19 -1.26 -4.98 117.16 115.78 2job n TYR 3 Ca -0.10 0.15 -0.25 0.00 3.31 0.00 0.00 57.90 61.01 2job n TYR 3 Cb 0.51 -0.88 -0.04 0.00 0.49 0.00 0.00 39.34 39.42 2job n TYR 3 CO 0.00 0.00 0.00 0.08 0.91 0.00 0.00 176.86 177.85 2job s VAL 4 N -2.53 4.82 1.10 2.97 1.01 -1.26 -5.11 120.40 121.40 2job s VAL 4 Ca -0.31 -0.98 -0.15 0.00 0.00 0.00 0.00 61.98 60.54 2job s VAL 4 Cb 0.09 -3.50 0.24 0.00 0.00 0.00 0.00 36.38 33.21 2job s VAL 4 CO 0.46 -0.15 1.09 -1.58 0.00 0.00 0.00 175.10 174.93 2job s GLN 5 N -3.29 -0.41 0.00 2.72 0.74 -1.26 -4.87 119.66 113.29 2job s GLN 5 Ca 0.33 0.32 0.00 0.00 0.05 0.00 0.00 55.36 56.05 2job s GLN 5 Cb -0.10 -1.66 0.00 0.00 1.10 0.00 0.00 33.01 32.35 2job s GLN 5 CO 0.26 -3.25 0.00 0.41 -0.55 0.00 0.00 175.29 172.15 2job n GLY 6 N -0.79 -0.36 0.34 2.59 0.00 -1.26 -4.97 105.19 100.74 2job n GLY 6 Ca 0.08 0.30 0.02 0.00 0.00 0.00 0.00 46.02 46.42 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 1.08 -0.76 1.61 4.06 -2.00 -1.23 115.95 118.72 2job h TRP 7 Ca 0.00 0.03 -0.03 0.00 2.06 0.00 0.00 58.89 60.95 2job h TRP 7 Cb 0.00 -0.35 -0.04 0.00 -1.00 0.00 0.00 29.16 27.77 2job h TRP 7 CO 0.00 0.55 0.38 1.49 -3.56 0.00 0.00 178.44 177.29 2job h GLU 8 N 1.06 1.08 -0.70 0.49 4.81 -1.98 -1.60 114.58 117.73 2job h GLU 8 Ca 0.41 -0.15 -0.07 0.00 -0.13 0.00 0.00 59.36 59.42 2job h GLU 8 Cb 0.18 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 2job h GLU 8 CO -0.18 0.83 0.18 0.00 -0.73 0.00 0.00 179.01 179.11 2job h ALA 9 N 1.33 0.93 -0.69 2.92 0.00 -1.64 -1.20 119.26 120.91 2job h ALA 9 Ca 0.26 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2job h ALA 9 Cb 0.09 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2job h ALA 9 CO -0.04 0.64 0.28 0.28 0.00 0.00 0.00 179.25 180.42 2job h VAL 10 N 1.06 1.24 -0.76 0.00 2.07 -0.81 -1.57 116.25 117.48 2job h VAL 10 Ca 0.22 -0.75 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 2job h VAL 10 Cb 0.36 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 2job h VAL 10 CO 0.00 0.30 0.27 0.00 0.02 0.00 0.00 177.57 178.16 2job h ALA 11 N 1.13 1.04 -0.74 1.67 0.00 -0.93 -1.86 119.26 119.56 2job h ALA 11 Ca 0.23 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2job h ALA 11 Cb 0.20 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2job h ALA 11 CO -0.02 0.66 0.27 0.00 0.00 0.00 0.00 179.25 180.16 2job h ALA 12 N 1.17 0.97 -0.73 0.00 0.00 -0.76 -1.79 119.26 118.12 2job h ALA 12 Ca 0.25 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2job h ALA 12 Cb 0.26 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2job h ALA 12 CO -0.01 0.62 0.27 0.00 0.00 0.00 0.00 179.25 180.13 2job h ALA 13 N 1.13 0.95 -0.70 0.00 0.00 -0.90 -1.07 119.26 118.67 2job h ALA 13 Ca 0.24 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2job h ALA 13 Cb 0.26 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2job h ALA 13 CO -0.01 0.59 0.38 0.28 0.00 0.00 0.00 179.25 180.49 2job h VAL 14 N 1.05 1.22 -0.78 0.00 2.07 -0.95 -1.67 116.25 117.18 2job h VAL 14 Ca 0.24 -0.54 -0.05 0.00 0.82 0.00 0.00 66.70 67.16 2job h VAL 14 Cb 0.24 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 2job h VAL 14 CO -0.02 0.24 0.28 0.00 0.02 0.00 0.00 177.57 178.09 2job h ALA 15 N 1.19 1.02 -0.83 1.67 0.00 -0.92 -2.19 119.26 119.20 2job h ALA 15 Ca 0.25 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2job h ALA 15 Cb 0.04 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 2job h ALA 15 CO -0.04 0.67 0.46 1.03 0.00 0.00 0.00 179.25 181.38 2job h SER 16 N 1.15 1.02 -0.20 0.00 0.87 -0.61 -2.02 113.55 113.75 2job h SER 16 Ca 0.26 -0.08 -0.10 0.00 -1.23 0.00 0.00 61.79 60.64 2job h SER 16 Cb 0.26 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 2job h SER 16 CO -0.02 0.81 -0.20 0.50 -0.53 0.00 0.00 176.83 177.39 2job h LYS 17 N 1.15 0.64 -0.83 2.24 1.63 -0.86 -2.88 116.57 117.66 2job h LYS 17 Ca 0.29 -0.24 0.04 0.00 -0.85 0.00 0.00 60.65 59.90 2job h LYS 17 Cb 0.01 -0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 31.54 2job h LYS 17 CO -0.05 0.80 0.53 0.82 -3.45 0.00 0.00 179.45 178.10 2job h ILE 18 N 0.57 1.10 -0.27 2.00 1.08 -0.77 0.69 117.51 121.92 2job h ILE 18 Ca 0.09 -0.35 -0.04 0.00 -0.39 0.00 0.00 64.86 64.17 2job h ILE 18 Cb 0.66 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.40 2job h ILE 18 CO 0.05 0.18 0.02 0.58 -0.69 0.00 0.00 178.15 178.30 2job h VAL 19 N 1.01 1.24 0.00 1.67 2.07 -1.30 0.28 116.25 121.22 2job h VAL 19 Ca 0.34 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2job h VAL 19 Cb 0.06 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2job h VAL 19 CO -0.13 0.27 0.00 1.23 0.02 0.00 0.00 177.57 178.96 2job h GLY 20 N 0.26 0.00 0.09 2.17 0.00 -1.28 -3.27 103.07 101.04 2job h GLY 20 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.35 2job h GLY 20 CO 0.01 0.00 -1.97 -0.10 0.00 0.00 0.00 176.54 174.48 2job n LEU 21 N -2.43 0.08 -4.72 3.11 7.94 0.24 -4.95 117.00 116.27 2job n LEU 21 Ca 0.05 0.03 -0.42 0.00 -1.11 0.00 0.00 56.01 54.56 2job n LEU 21 Cb 0.43 0.07 -0.03 0.00 0.53 0.00 0.00 43.42 44.42 2job n LEU 21 CO 0.30 0.06 1.17 0.86 -1.11 0.00 0.00 177.39 178.67 2job s TRP 22 N -3.35 3.10 0.00 1.96 -0.00 0.98 -4.61 118.94 117.02 2job s TRP 22 Ca -0.08 0.78 0.00 0.00 -0.00 0.00 0.00 56.10 56.80 2job s TRP 22 Cb 0.12 -3.85 0.00 0.00 -0.00 0.00 0.00 33.47 29.75 2job s TRP 22 CO 0.89 -3.03 0.00 -2.13 -0.00 0.00 0.00 176.95 172.68 2job n ARG 23 N 3.68 2.76 -0.25 5.86 0.63 0.60 -4.96 116.66 124.97 2job n ARG 23 Ca 0.12 0.00 0.06 0.00 -0.92 0.00 0.00 57.85 57.11 2job n ARG 23 Cb 0.40 0.00 0.18 0.00 0.45 0.00 0.00 32.46 33.49 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 -0.05 0.00 6.15 -0.26 -1.95 -3.35 115.58 116.13 2job h ASN 24 Ca 0.00 0.16 -0.13 0.00 -0.56 0.00 0.00 56.30 55.77 2job h ASN 24 Cb 0.00 0.22 -0.16 0.00 -1.06 0.00 0.00 38.32 37.33 2job h ASN 24 CO 0.00 -0.07 -0.38 -1.84 -1.06 0.00 0.00 177.43 174.08 2job n GLU 25 N -5.19 0.00 -3.74 0.81 -0.00 -1.26 -4.88 120.64 106.38 2job n GLU 25 Ca 0.15 -1.08 -0.11 0.00 -0.00 0.00 0.00 57.16 56.12 2job n GLU 25 Cb 0.48 0.39 -0.06 0.00 -0.00 0.00 0.00 31.44 32.24 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 0.00 0.90 -0.10 3.44 2.20 -1.25 -4.03 119.74 120.90 2job s LYS 26 Ca 0.05 -0.66 -0.20 0.00 -0.36 0.00 0.00 55.97 54.81 2job s LYS 26 Cb 0.06 0.39 0.04 0.00 -1.51 0.00 0.00 37.83 36.81 2job s LYS 26 CO -0.02 -0.31 0.48 -0.08 -0.36 0.00 0.00 175.35 175.05 2job s THR 27 N -3.20 0.02 -0.42 3.43 -1.32 -0.75 -0.29 115.64 113.12 2job s THR 27 Ca -0.00 -0.16 -0.13 0.00 -1.21 0.00 0.00 61.69 60.19 2job s THR 27 Cb 0.01 -0.74 0.04 0.00 -1.51 0.00 0.00 72.50 70.31 2job s THR 27 CO -0.07 -0.09 0.29 -1.61 -2.21 0.00 0.00 174.62 170.93 2job s GLU 28 N -0.59 2.88 -0.13 7.08 0.41 -1.26 0.05 118.70 127.13 2job s GLU 28 Ca -0.07 -1.17 -0.00 0.00 -0.41 0.00 0.00 54.97 53.31 2job s GLU 28 Cb -0.03 -3.92 -0.01 0.00 -1.78 0.00 0.00 34.13 28.39 2job s GLU 28 CO 0.04 -0.83 -0.13 -0.51 -0.49 0.00 0.00 175.26 173.34 2job s LEU 29 N 1.60 2.72 -1.74 1.80 1.43 -0.43 -4.60 118.68 119.46 2job s LEU 29 Ca 0.04 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 2job s LEU 29 Cb -0.21 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.40 2job s LEU 29 CO 0.07 0.15 0.00 -0.11 0.23 0.00 0.00 176.35 176.70 2job n LEU 30 N 3.60 -1.78 -0.41 1.79 7.94 -1.26 -0.73 117.00 126.15 2job n LEU 30 Ca -0.18 0.08 -0.05 0.00 -1.11 0.00 0.00 56.01 54.75 2job n LEU 30 Cb 0.53 -2.82 -0.02 0.00 0.53 0.00 0.00 43.42 41.64 2job n LEU 30 CO 0.31 -0.32 -0.05 0.61 -1.11 0.00 0.00 177.39 176.82 2job n GLY 31 N -0.90 0.67 3.41 -3.96 0.00 -1.26 -5.03 105.19 98.12 2job n GLY 31 Ca -0.23 -0.82 -0.25 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.19 2.19 -0.33 1.61 3.76 0.09 -5.10 115.29 115.32 2job s HIS 32 Ca 0.00 -0.38 -0.24 0.00 -0.15 0.00 0.00 55.06 54.29 2job s HIS 32 Cb 0.00 -1.06 0.00 0.00 1.11 0.00 0.00 32.58 32.63 2job s HIS 32 CO 0.00 0.49 0.81 -2.00 -0.85 0.00 0.00 174.74 173.19 2job s GLU 33 N -2.82 3.90 0.46 1.40 2.12 -1.26 -1.31 118.70 121.18 2job s GLU 33 Ca 0.21 0.53 0.05 0.00 0.36 0.00 0.00 54.97 56.12 2job s GLU 33 Cb -0.07 -3.76 -0.03 0.00 0.26 0.00 0.00 34.13 30.53 2job s GLU 33 CO 0.10 -0.75 0.13 0.00 -0.54 0.00 0.00 175.26 174.20 2job s LYS 35 N -3.91 0.82 -0.08 0.00 2.47 0.92 -1.81 119.74 118.14 2job s LYS 35 Ca 0.29 -0.58 -0.01 0.00 -1.56 0.00 0.00 55.97 54.12 2job s LYS 35 Cb 0.04 -2.18 -0.03 0.00 -1.46 0.00 0.00 37.83 34.20 2job s LYS 35 CO 0.16 -0.67 -0.04 0.12 0.16 0.00 0.00 175.35 175.09 2job s PHE 36 N 1.76 3.04 0.02 4.03 2.19 -1.26 -1.25 117.98 126.52 2job s PHE 36 Ca -0.01 0.07 -0.07 0.00 0.33 0.00 0.00 56.93 57.26 2job s PHE 36 Cb -0.17 -1.76 -0.00 0.00 -1.31 0.00 0.00 43.02 39.77 2job s PHE 36 CO -0.10 0.36 0.13 0.95 1.83 0.00 0.00 175.22 178.40 2job s THR 37 N -0.76 0.11 -0.07 0.12 -4.23 0.24 -3.96 115.64 107.09 2job s THR 37 Ca 0.12 -0.90 -0.00 0.00 -1.18 0.00 0.00 61.69 59.72 2job s THR 37 Cb -0.11 -0.71 0.02 0.00 1.34 0.00 0.00 72.50 73.04 2job s THR 37 CO 0.02 -0.50 -0.04 -0.69 -0.54 0.00 0.00 174.62 172.87 2job s VAL 38 N -2.12 0.64 -0.09 2.29 1.01 -1.26 -0.73 120.40 120.14 2job s VAL 38 Ca -0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 61.98 61.78 2job s VAL 38 Cb -0.04 -0.71 0.04 0.00 0.00 0.00 0.00 36.38 35.67 2job s VAL 38 CO -0.02 0.29 0.05 -0.75 0.00 0.00 0.00 175.10 174.66 2job s LYS 39 N 1.54 0.21 0.54 2.72 2.20 0.95 -4.96 119.74 122.94 2job s LYS 39 Ca -0.01 0.15 -0.12 0.00 -0.36 0.00 0.00 55.97 55.63 2job s LYS 39 Cb -0.13 -1.01 -0.06 0.00 -1.51 0.00 0.00 37.83 35.12 2job s LYS 39 CO -0.04 -0.41 0.96 -1.25 -0.36 0.00 0.00 175.35 174.25 2job s PRO 40 N 2.08 3.73 0.00 4.03 0.04 -1.26 -2.60 135.00 141.02 2job s PRO 40 Ca 0.04 0.73 0.00 0.00 0.04 0.00 0.00 61.00 61.81 2job s PRO 40 Cb -0.13 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.24 2job s PRO 40 CO -0.05 -0.37 0.00 0.66 0.04 0.00 0.00 177.00 177.28 2job n TYR 41 N -2.14 0.00 -4.09 0.56 4.01 0.48 -4.90 117.16 111.08 2job n TYR 41 Ca 0.05 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.65 2job n TYR 41 Cb 0.54 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.45 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 2.24 0.50 7.72 0.20 -1.26 -2.18 118.68 125.89 2job s LEU 42 Ca 0.00 -0.52 0.01 0.00 0.69 0.00 0.00 54.13 54.31 2job s LEU 42 Cb 0.00 -0.23 -0.01 0.00 -0.43 0.00 0.00 46.19 45.52 2job s LEU 42 CO 0.00 -0.16 0.04 -0.75 -0.29 0.00 0.00 176.35 175.19 2job s LYS 43 N -1.48 2.16 0.24 1.98 2.20 0.97 -4.92 119.74 120.89 2job s LYS 43 Ca -0.08 -2.38 0.03 0.00 -0.36 0.00 0.00 55.97 53.18 2job s LYS 43 Cb -0.09 -1.23 0.63 0.00 -1.51 0.00 0.00 37.83 35.63 2job s LYS 43 CO 0.01 -0.44 1.21 0.54 -0.36 0.00 0.00 175.35 176.30 2job n ARG 44 N -1.20 -0.06 -2.28 4.03 5.12 -1.26 -3.12 116.66 117.88 2job n ARG 44 Ca -0.17 1.14 -0.02 0.00 -1.93 0.00 0.00 57.85 56.87 2job n ARG 44 Cb 0.66 -1.84 0.07 0.00 -1.16 0.00 0.00 32.46 30.19 2job n ARG 44 CO 0.00 0.00 0.00 1.97 -1.93 0.00 0.00 177.63 177.67 2job n PHE 45 N -5.04 -0.92 -3.66 -1.55 1.16 -1.26 -5.12 117.46 101.06 2job n PHE 45 Ca 0.19 -1.47 -0.14 0.00 -1.87 0.00 0.00 57.45 54.16 2job n PHE 45 Cb 0.63 0.91 -0.08 0.00 -1.61 0.00 0.00 39.48 39.33 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 -0.61 0.73 -0.23 3.97 -0.21 -1.18 -5.14 119.66 116.98 2job s GLN 46 Ca 0.12 0.63 -0.13 0.00 0.02 0.00 0.00 55.36 56.00 2job s GLN 46 Cb 0.33 0.35 -0.04 0.00 1.00 0.00 0.00 33.01 34.65 2job s GLN 46 CO -0.09 -0.13 0.27 0.08 -2.12 0.00 0.00 175.29 173.31 2job s VAL 47 N -0.07 5.28 0.09 1.09 1.01 -1.26 -0.02 120.40 126.51 2job s VAL 47 Ca -0.03 0.42 0.05 0.00 0.00 0.00 0.00 61.98 62.42 2job s VAL 47 Cb -0.04 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 2job s VAL 47 CO 0.03 0.29 -0.02 -0.31 0.00 0.00 0.00 175.10 175.09 2job s TYR 48 N 1.28 2.96 -0.14 5.22 2.02 -0.93 -4.86 117.35 122.90 2job s TYR 48 Ca 0.13 -0.04 -0.03 0.00 -0.37 0.00 0.00 57.07 56.76 2job s TYR 48 Cb -0.14 -1.53 -0.03 0.00 -0.40 0.00 0.00 41.96 39.86 2job s TYR 48 CO 0.07 0.47 -0.05 -0.47 -1.57 0.00 0.00 175.55 173.99 2job s TYR 49 N -1.29 2.99 0.17 2.71 5.04 -1.13 -0.39 117.35 125.46 2job s TYR 49 Ca 0.25 -0.30 0.06 0.00 -2.44 0.00 0.00 57.07 54.64 2job s TYR 49 Cb -0.12 -1.91 -0.04 0.00 0.35 0.00 0.00 41.96 40.24 2job s TYR 49 CO 0.17 -0.00 -0.12 0.21 -1.34 0.00 0.00 175.55 174.47 2job s LYS 50 N 0.19 1.17 -0.14 4.97 2.20 -1.07 -0.25 119.74 126.81 2job s LYS 50 Ca -0.03 -1.49 -0.18 0.00 -0.36 0.00 0.00 55.97 53.91 2job s LYS 50 Cb -0.14 -0.84 0.05 0.00 -1.51 0.00 0.00 37.83 35.38 2job s LYS 50 CO 0.03 0.13 0.48 0.20 -0.36 0.00 0.00 175.35 175.83 2job s GLY 51 N -3.18 -0.35 0.03 5.54 0.00 0.37 -0.04 107.32 109.69 2job s GLY 51 Ca 0.19 1.19 0.01 0.00 0.00 0.00 0.00 44.72 46.10 2job s GLY 51 CO 0.03 0.98 -0.04 -1.60 0.00 0.00 0.00 173.10 172.46 2job s ARG 52 N -0.17 0.38 0.05 2.90 3.00 0.09 -1.20 118.95 123.99 2job s ARG 52 Ca -0.04 -0.66 -0.08 0.00 -1.00 0.00 0.00 55.73 53.96 2job s ARG 52 Cb -0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 34.95 34.90 2job s ARG 52 CO 0.02 -0.02 0.16 0.00 0.00 0.00 0.00 175.30 175.46 2job s MET 53 N -1.50 0.70 0.08 5.12 0.23 0.87 -0.59 119.30 124.22 2job s MET 53 Ca -0.14 -0.78 -0.27 0.00 -1.03 0.00 0.00 55.69 53.48 2job s MET 53 Cb -0.10 0.28 0.08 0.00 -1.53 0.00 0.00 34.83 33.57 2job s MET 53 CO -0.01 -0.20 0.90 1.67 -2.03 0.00 0.00 175.02 175.36 2job s TRP 54 N -2.99 -0.26 -0.34 3.16 -2.14 -0.38 -1.68 118.94 114.31 2job s TRP 54 Ca -0.02 0.04 0.01 0.00 2.66 0.00 0.00 56.10 58.79 2job s TRP 54 Cb 0.01 0.59 0.11 0.00 -3.10 0.00 0.00 33.47 31.07 2job s TRP 54 CO -0.06 -0.70 0.11 0.00 -2.66 0.00 0.00 176.95 173.64 2job s PRO 56 N 1.21 3.19 0.00 0.00 0.04 -1.26 -3.31 135.00 134.87 2job s PRO 56 Ca 0.11 -1.20 0.00 0.00 0.04 0.00 0.00 61.00 59.95 2job s PRO 56 Cb -0.19 -5.32 0.00 0.00 0.04 0.00 0.00 34.50 29.03 2job s PRO 56 CO -0.17 -2.94 0.00 0.41 0.04 0.00 0.00 177.00 174.34 2job n GLY 57 N 6.18 4.01 0.29 0.56 0.00 -1.26 -4.99 105.19 109.98 2job n GLY 57 Ca 0.42 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.61 -2.02 1.61 7.01 -1.84 -3.49 115.95 116.60 2job h TRP 58 Ca 0.00 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 60.98 2job h TRP 58 Cb 0.00 0.20 -0.00 0.00 -2.10 0.00 0.00 29.16 27.26 2job h TRP 58 CO 0.00 -0.37 -0.00 -2.37 -2.79 0.00 0.00 178.44 172.91 2job n THR 59 N -5.22 0.00 -1.95 2.65 5.66 -1.23 -5.06 114.28 109.13 2job n THR 59 Ca -0.08 -0.02 -0.26 0.00 -3.05 0.00 0.00 64.05 60.63 2job n THR 59 Cb 0.26 0.01 0.03 0.00 -1.55 0.00 0.00 70.33 69.09 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 -2.97 5.26 -2.47 1.79 0.00 -1.26 -4.66 120.51 116.20 2job n ALA 60 Ca -0.00 -3.80 -0.27 0.00 0.00 0.00 0.00 53.44 49.37 2job n ALA 60 Cb 0.01 -0.60 -0.11 0.00 0.00 0.00 0.00 19.45 18.75 2job n ALA 60 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2job s ILE 61 N -4.73 2.61 0.26 0.00 2.07 -1.26 -5.10 121.20 115.06 2job s ILE 61 Ca 0.53 -1.90 0.02 0.00 -1.41 0.00 0.00 60.65 57.89 2job s ILE 61 Cb 0.43 -2.26 -0.04 0.00 0.13 0.00 0.00 42.46 40.71 2job s ILE 61 CO 0.00 -0.10 0.13 -0.13 -1.91 0.00 0.00 174.94 172.93 2job s ARG 62 N -2.68 1.44 -0.04 3.50 3.00 -1.26 -4.14 118.95 118.77 2job s ARG 62 Ca 0.22 -1.79 -0.01 0.00 0.00 0.00 0.00 55.73 54.14 2job s ARG 62 Cb -0.08 -0.09 0.03 0.00 0.00 0.00 0.00 34.95 34.81 2job s ARG 62 CO 0.11 -0.37 0.08 0.20 0.00 0.00 0.00 175.30 175.32 2job s GLY 63 N -3.30 0.09 0.06 -3.53 0.00 -0.68 -4.13 107.32 95.83 2job s GLY 63 Ca 0.37 0.40 0.02 0.00 0.00 0.00 0.00 44.72 45.52 2job s GLY 63 CO 0.15 1.02 -0.08 -0.54 0.00 0.00 0.00 173.10 173.64 2job s GLU 64 N 1.45 0.64 -0.01 2.90 2.02 -1.25 -0.09 118.70 124.35 2job s GLU 64 Ca -0.05 -0.94 -0.30 0.00 0.02 0.00 0.00 54.97 53.70 2job s GLU 64 Cb -0.12 -0.30 0.11 0.00 0.10 0.00 0.00 34.13 33.91 2job s GLU 64 CO -0.04 0.04 1.06 0.00 0.02 0.00 0.00 175.26 176.34 2job s ALA 65 N -2.04 -1.93 -0.03 5.21 0.00 -0.34 -4.57 121.76 118.06 2job s ALA 65 Ca -0.03 0.88 -0.20 0.00 0.00 0.00 0.00 51.96 52.61 2job s ALA 65 Cb -0.05 0.33 0.04 0.00 0.00 0.00 0.00 23.12 23.43 2job s ALA 65 CO -0.01 -0.83 0.43 -1.54 0.00 0.00 0.00 175.76 173.82 2job s SER 66 N -2.62 -0.35 -0.18 0.00 1.04 -1.26 -0.47 113.70 109.86 2job s SER 66 Ca 0.10 0.30 -0.33 0.00 0.48 0.00 0.00 55.95 56.50 2job s SER 66 Cb 0.00 0.39 0.14 0.00 0.10 0.00 0.00 66.02 66.65 2job s SER 66 CO -0.04 -0.50 1.16 0.28 0.98 0.00 0.00 173.24 175.12 2job s THR 67 N -1.28 0.00 0.59 2.02 -1.32 0.65 -4.97 115.64 111.33 2job s THR 67 Ca -0.13 0.00 0.32 0.00 -1.21 0.00 0.00 61.69 60.68 2job s THR 67 Cb -0.03 -1.00 0.37 0.00 -1.51 0.00 0.00 72.50 70.32 2job s THR 67 CO 0.06 0.00 2.26 0.03 -2.21 0.00 0.00 174.62 174.76 2job h ARG 68 N 2.09 0.00 -6.84 7.08 3.08 -1.89 -2.98 114.38 114.92 2job h ARG 68 Ca -0.12 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.42 2job h ARG 68 Cb 1.18 0.00 0.05 0.00 0.08 0.00 0.00 29.97 31.28 2job h ARG 68 CO 0.25 0.01 0.59 -1.54 -1.07 0.00 0.00 179.97 178.21 2job s SER 69 N -5.98 6.92 -0.08 7.04 1.04 -1.26 -4.69 113.70 116.69 2job s SER 69 Ca -0.05 2.54 -0.20 0.00 0.48 0.00 0.00 55.95 58.72 2job s SER 69 Cb 0.15 -2.64 -0.17 0.00 0.10 0.00 0.00 66.02 63.46 2job s SER 69 CO 0.53 -0.42 0.73 1.56 0.98 0.00 0.00 173.24 176.62 2job h GLN 70 N 3.70 -0.10 0.01 4.02 4.20 -1.98 -3.10 115.11 121.85 2job h GLN 70 Ca -0.48 0.01 -0.22 0.00 0.06 0.00 0.00 58.65 58.02 2job h GLN 70 Cb 1.22 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.99 2job h GLN 70 CO 0.67 0.43 -1.09 1.03 -0.67 0.00 0.00 178.83 179.20 2job h SER 71 N -0.90 0.03 -0.70 1.46 0.87 -1.97 -3.28 113.55 109.07 2job h SER 71 Ca -0.01 -0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.55 2job h SER 71 Cb 0.58 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.49 2job h SER 71 CO 0.02 1.03 0.46 1.23 -0.53 0.00 0.00 176.83 179.03 2job h GLY 72 N 2.96 0.96 1.49 5.77 0.00 -1.96 -1.49 103.07 110.79 2job h GLY 72 Ca -0.05 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 2job h GLY 72 CO 0.13 0.29 0.10 -0.24 0.00 0.00 0.00 176.54 176.83 2job h VAL 73 N 0.85 1.19 -0.54 4.60 3.04 -1.60 -1.50 116.25 122.29 2job h VAL 73 Ca 0.28 -0.69 -0.11 0.00 -1.01 0.00 0.00 66.70 65.16 2job h VAL 73 Cb 0.05 0.75 -0.02 0.00 -2.01 0.00 0.00 31.29 30.06 2job h VAL 73 CO -0.08 0.25 -0.08 0.00 -1.01 0.00 0.00 177.57 176.65 2job h ALA 74 N 1.48 0.73 -0.04 3.17 0.00 -1.41 -1.12 119.26 122.08 2job h ALA 74 Ca 0.15 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 2job h ALA 74 Cb 0.24 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2job h ALA 74 CO -0.00 0.63 -0.44 0.78 0.00 0.00 0.00 179.25 180.22 2job h GLY 75 N 0.88 0.10 1.18 0.00 0.00 -1.19 -2.43 103.07 101.61 2job h GLY 75 Ca 0.14 -0.09 -0.23 0.00 0.00 0.00 0.00 47.33 47.15 2job h GLY 75 CO 0.04 0.08 -0.79 1.70 0.00 0.00 0.00 176.54 177.58 2job h LYS 76 N 0.07 0.80 -0.71 4.80 3.64 -0.96 -1.74 116.57 122.48 2job h LYS 76 Ca 0.00 -0.66 -0.07 0.00 -1.27 0.00 0.00 60.65 58.65 2job h LYS 76 Cb 0.81 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.74 2job h LYS 76 CO 0.06 1.26 0.17 1.15 -2.27 0.00 0.00 179.45 179.83 2job h THR 77 N 0.54 1.26 -0.51 1.00 2.02 -1.08 -2.16 112.91 113.98 2job h THR 77 Ca -0.06 -0.97 -0.11 0.00 0.77 0.00 0.00 66.41 66.04 2job h THR 77 Cb 1.42 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 2job h THR 77 CO 0.16 0.37 -0.12 0.00 0.37 0.00 0.00 175.52 176.30 2job h ALA 78 N 1.08 0.81 -0.84 6.16 0.00 -1.43 -2.52 119.26 122.53 2job h ALA 78 Ca 0.22 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.79 2job h ALA 78 Cb 0.37 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2job h ALA 78 CO 0.00 0.66 0.55 -0.22 0.00 0.00 0.00 179.25 180.24 2job h LYS 79 N 0.86 1.08 -0.62 0.00 3.64 -0.93 0.35 116.57 120.96 2job h LYS 79 Ca 0.13 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.38 2job h LYS 79 Cb 0.68 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 2job h LYS 79 CO 0.05 0.72 0.13 0.22 -2.27 0.00 0.00 179.45 178.29 2job h ASP 80 N 1.12 0.95 -0.25 4.20 3.58 -1.22 0.82 116.42 125.62 2job h ASP 80 Ca 0.31 -0.25 -0.15 0.00 0.42 0.00 0.00 57.03 57.36 2job h ASP 80 Cb -0.11 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.68 2job h ASP 80 CO -0.08 0.96 -0.39 0.15 -2.88 0.00 0.00 179.24 177.00 2job h PHE 81 N 0.91 0.96 -0.34 0.28 3.04 -0.96 -2.06 116.94 118.76 2job h PHE 81 Ca 0.19 -0.28 -0.14 0.00 3.98 0.00 0.00 57.97 61.72 2job h PHE 81 Cb 0.39 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.69 2job h PHE 81 CO 0.03 1.06 -0.34 0.28 -2.02 0.00 0.00 178.31 177.33 2job h VAL 82 N 0.65 1.28 -0.54 1.41 2.07 -0.06 -0.93 116.25 120.13 2job h VAL 82 Ca 0.05 -1.49 -0.12 0.00 0.82 0.00 0.00 66.70 65.97 2job h VAL 82 Cb 0.96 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 2job h VAL 82 CO 0.09 0.49 -0.13 -0.09 0.02 0.00 0.00 177.57 177.95 2job h ARG 83 N 0.64 1.04 -0.51 1.57 2.43 -0.75 0.37 114.38 119.17 2job h ARG 83 Ca 0.07 -0.40 -0.12 0.00 -0.81 0.00 0.00 59.98 58.72 2job h ARG 83 Cb 0.87 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 2job h ARG 83 CO 0.08 1.09 -0.16 0.87 -1.51 0.00 0.00 179.97 180.34 2job h LYS 84 N 0.92 1.01 -0.35 0.20 1.57 -1.25 -1.47 116.57 117.19 2job h LYS 84 Ca 0.14 -0.40 -0.11 0.00 -1.87 0.00 0.00 60.65 58.40 2job h LYS 84 Cb 0.70 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 2job h LYS 84 CO 0.05 1.08 -0.24 0.00 -0.57 0.00 0.00 179.45 179.78 2job h ALA 85 N 0.89 0.92 -0.16 3.86 0.00 -0.98 -2.77 119.26 121.02 2job h ALA 85 Ca 0.12 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 2job h ALA 85 Cb 0.73 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2job h ALA 85 CO 0.06 0.62 -0.37 0.74 0.00 0.00 0.00 179.25 180.30 2job h PHE 86 N 0.61 0.39 -0.09 0.00 0.04 -0.72 -0.79 116.94 116.37 2job h PHE 86 Ca 0.08 -0.10 -0.05 0.00 2.80 0.00 0.00 57.97 60.71 2job h PHE 86 Cb 0.73 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.78 2job h PHE 86 CO 0.03 0.66 -0.16 1.96 -0.60 0.00 0.00 178.31 180.21 2job h GLN 87 N 0.29 0.14 0.00 1.51 4.20 -0.98 -3.35 115.11 116.92 2job h GLN 87 Ca 0.03 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2job h GLN 87 Cb 0.78 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.54 2job h GLN 87 CO 0.06 0.31 -0.21 1.63 -0.67 0.00 0.00 178.83 179.95 2job n LYS 88 N -4.28 0.15 0.00 1.46 4.01 -1.08 -5.05 118.16 113.37 2job n LYS 88 Ca -0.01 0.25 0.00 0.00 -0.51 0.00 0.00 58.31 58.04 2job n LYS 88 Cb 0.27 -0.97 0.00 0.00 -0.51 0.00 0.00 35.03 33.82 2job n LYS 88 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2job n GLY 89 N 1.64 -0.19 0.05 0.72 0.00 -0.37 -5.07 105.19 101.97 2job n GLY 89 Ca -0.03 0.04 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 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 2.69 -3.87 0.99 4.77 -0.80 -4.76 117.00 116.02 2job n LEU 90 Ca 0.00 -0.05 -0.40 0.00 -0.03 0.00 0.00 56.01 55.53 2job n LEU 90 Cb 0.00 -0.31 -0.01 0.00 -2.33 0.00 0.00 43.42 40.78 2job n LEU 90 CO 0.00 0.63 0.95 -0.38 -1.33 0.00 0.00 177.39 177.26 2job n ILE 91 N -2.75 4.84 -1.27 -0.08 5.41 -1.26 -4.85 119.36 119.40 2job n ILE 91 Ca -0.18 -5.82 -0.26 0.00 1.00 0.00 0.00 62.75 57.49 2job n ILE 91 Cb 0.70 -2.04 0.21 0.00 -0.71 0.00 0.00 39.64 37.80 2job n ILE 91 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 2job n SER 92 N 1.14 -1.26 0.30 4.38 7.64 -1.26 -4.70 113.62 119.85 2job n SER 92 Ca 0.28 -1.20 -0.13 0.00 1.01 0.00 0.00 58.87 58.83 2job n SER 92 Cb 0.34 -0.89 -0.06 0.00 -1.01 0.00 0.00 64.21 62.59 2job n SER 92 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2job h GLN 93 N 0.00 -0.79 -0.77 1.43 4.20 -1.99 0.17 115.11 117.36 2job h GLN 93 Ca -0.37 0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.35 2job h GLN 93 Cb 1.08 0.18 -0.03 0.00 0.30 0.00 0.00 27.48 29.01 2job h GLN 93 CO 0.25 -0.51 0.30 1.96 -0.67 0.00 0.00 178.83 180.15 2job h GLN 94 N -1.20 1.16 -0.67 1.46 4.20 -2.00 -2.21 115.11 115.85 2job h GLN 94 Ca -0.08 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.40 2job h GLN 94 Cb 0.64 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.20 2job h GLN 94 CO 0.14 0.94 0.37 0.93 -0.67 0.00 0.00 178.83 180.54 2job h GLU 95 N 1.13 0.93 -0.66 1.46 5.08 -1.93 -2.03 114.58 118.56 2job h GLU 95 Ca 0.26 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 2job h GLU 95 Cb 0.22 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 2job h GLU 95 CO -0.02 0.70 0.37 0.00 -1.00 0.00 0.00 179.01 179.06 2job h ALA 96 N 1.18 1.41 -0.45 3.43 0.00 -0.52 0.74 119.26 125.05 2job h ALA 96 Ca 0.24 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2job h ALA 96 Cb 0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2job h ALA 96 CO -0.04 0.49 0.23 -0.91 0.00 0.00 0.00 179.25 179.02 2job h ASN 97 N 0.92 0.59 0.60 0.00 4.21 -0.79 0.48 115.58 121.59 2job h ASN 97 Ca 0.24 -0.12 -0.15 0.00 1.21 0.00 0.00 56.30 57.48 2job h ASN 97 Cb 0.00 -0.15 -0.02 0.00 -1.12 0.00 0.00 38.32 37.03 2job h ASN 97 CO -0.04 0.54 -0.69 1.56 -1.29 0.00 0.00 177.43 177.51 2job h GLN 98 N 0.59 0.08 -0.45 0.81 7.50 -0.82 0.13 115.11 122.94 2job h GLN 98 Ca 0.16 -0.06 -0.13 0.00 0.50 0.00 0.00 58.65 59.11 2job h GLN 98 Cb 0.10 0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.64 2job h GLN 98 CO -0.02 0.73 -0.24 2.35 -1.50 0.00 0.00 178.83 180.15 2job h TRP 99 N 0.05 1.11 0.04 2.96 7.01 0.12 0.28 115.95 127.52 2job h TRP 99 Ca -0.01 -0.28 -0.25 0.00 2.11 0.00 0.00 58.89 60.46 2job h TRP 99 Cb 1.22 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 28.00 2job h TRP 99 CO 0.01 1.10 -1.22 -0.07 -2.79 0.00 0.00 178.44 175.47 2job h LEU 100 N 0.80 0.15 0.00 0.65 3.38 -0.00 -3.41 115.31 116.88 2job h LEU 100 Ca 0.10 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2job h LEU 100 Cb 0.82 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2job h LEU 100 CO 0.07 1.14 -0.10 -1.28 0.09 0.00 0.00 178.44 178.36 2job h SER 101 N 0.03 0.00 0.00 -0.43 0.87 -0.94 -3.51 113.55 109.57 2job h SER 101 Ca -0.11 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 2job h SER 101 Cb 1.88 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.84 2job h SER 101 CO 0.14 0.17 0.00 -0.24 -0.53 0.00 0.00 176.83 176.37