#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1occ n SER 2 N 0.00 0.00 0.00 0.00 2.88 -1.26 -5.18 113.62 110.06 1occ n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1occ n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1occ n SER 2 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1occ n GLY 3 N 0.83 0.74 0.00 0.46 0.00 -1.26 -5.15 105.19 100.81 1occ n GLY 3 Ca 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 46.02 43.72 1occ n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1occ n GLY 4 N -0.81 3.46 0.00 -0.02 0.00 -1.26 -5.08 105.19 101.48 1occ n GLY 4 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1occ n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1occ n GLY 5 N 0.00 1.14 3.86 -0.02 0.00 -1.26 -5.14 105.19 103.77 1occ n GLY 5 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1occ n GLY 5 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1occ s VAL 6 N -1.15 5.23 1.04 1.61 -7.23 -1.26 -5.08 120.40 113.57 1occ s VAL 6 Ca 0.00 0.54 -0.12 0.00 -1.81 0.00 0.00 61.98 60.59 1occ s VAL 6 Cb 0.00 -3.58 0.22 0.00 0.56 0.00 0.00 36.38 33.57 1occ s VAL 6 CO 0.00 0.57 1.08 -2.84 -0.31 0.00 0.00 175.10 173.60 1occ s PRO 7 N -1.15 0.04 0.31 4.82 0.02 -1.26 -5.07 135.00 132.72 1occ s PRO 7 Ca 0.21 1.13 0.08 0.00 0.02 0.00 0.00 61.00 62.44 1occ s PRO 7 Cb -0.15 -1.64 -0.06 0.00 0.02 0.00 0.00 34.50 32.67 1occ s PRO 7 CO 0.10 -3.17 -0.07 0.95 -0.33 0.00 0.00 177.00 174.48 1occ s THR 8 N -2.58 1.91 0.05 0.99 -4.23 -1.26 -4.98 115.64 105.55 1occ s THR 8 Ca 0.67 -2.16 -0.24 0.00 -1.18 0.00 0.00 61.69 58.78 1occ s THR 8 Cb -0.23 -2.55 -0.17 0.00 1.34 0.00 0.00 72.50 70.89 1occ s THR 8 CO 0.61 -0.25 1.57 0.44 -0.54 0.00 0.00 174.62 176.46 1occ h ASP 9 N 2.15 -0.00 -1.17 3.99 3.32 -1.97 1.05 116.42 123.78 1occ h ASP 9 Ca -0.41 -0.17 0.33 0.00 0.02 0.00 0.00 57.03 56.80 1occ h ASP 9 Cb 1.24 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.73 1occ h ASP 9 CO 0.69 0.17 0.82 -0.08 -1.72 0.00 0.00 179.24 179.11 1occ h GLU 10 N -0.18 0.09 0.00 3.56 4.22 -1.96 0.73 114.58 121.04 1occ h GLU 10 Ca -0.00 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1occ h GLU 10 Cb 0.17 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1occ h GLU 10 CO 0.00 0.06 -1.19 -0.85 -2.18 0.00 0.00 179.01 174.85 1occ n GLU 11 N -4.30 1.38 0.00 1.92 0.28 -0.86 -4.70 120.64 114.36 1occ n GLU 11 Ca 0.26 -0.07 0.00 0.00 -0.16 0.00 0.00 57.16 57.19 1occ n GLU 11 Cb 1.18 -1.23 0.00 0.00 1.43 0.00 0.00 31.44 32.83 1occ n GLU 11 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1occ n GLN 12 N -1.69 4.76 -2.09 3.44 7.27 0.36 -4.89 117.38 124.53 1occ n GLN 12 Ca -0.00 -0.03 -0.40 0.00 0.07 0.00 0.00 57.00 56.63 1occ n GLN 12 Cb 0.28 -0.42 -0.02 0.00 2.41 0.00 0.00 30.24 32.50 1occ n GLN 12 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1occ s ALA 13 N -0.69 3.42 0.00 1.69 0.00 0.24 -4.98 121.76 121.44 1occ s ALA 13 Ca 0.00 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1occ s ALA 13 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1occ s ALA 13 CO 0.00 -0.70 0.00 -2.37 0.00 0.00 0.00 175.76 172.69 1occ n THR 14 N 0.58 0.00 -0.22 0.00 5.66 -1.26 -4.69 114.28 114.34 1occ n THR 14 Ca 0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 1occ n THR 14 Cb 0.42 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.20 1occ n THR 14 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1occ n GLY 15 N 1.21 0.73 0.39 1.09 0.00 -1.26 -0.37 105.19 106.98 1occ n GLY 15 Ca 0.00 -0.70 0.21 0.00 0.00 0.00 0.00 46.02 45.52 1occ n GLY 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1occ h LEU 16 N 0.00 0.01 0.17 0.99 5.85 -1.99 -1.04 115.31 119.31 1occ h LEU 16 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1occ h LEU 16 Cb 0.00 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1occ h LEU 16 CO 0.00 0.01 -0.14 -0.08 -0.34 0.00 0.00 178.44 177.88 1occ h GLU 17 N 0.02 -0.32 -0.60 1.25 4.81 -1.89 -1.07 114.58 116.78 1occ h GLU 17 Ca 0.27 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.53 1occ h GLU 17 Cb 1.06 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 1occ h GLU 17 CO -0.01 -0.21 0.40 -0.09 -0.73 0.00 0.00 179.01 178.36 1occ h ARG 18 N -0.33 0.78 -0.57 1.92 2.43 0.59 -1.47 114.38 117.73 1occ h ARG 18 Ca -0.01 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.20 1occ h ARG 18 Cb 0.30 -0.18 -0.07 0.00 -0.42 0.00 0.00 29.97 29.61 1occ h ARG 18 CO -0.02 0.52 0.22 0.93 -1.51 0.00 0.00 179.97 180.11 1occ h GLU 19 N 0.81 0.40 0.00 0.20 5.08 -1.02 0.87 114.58 120.91 1occ h GLU 19 Ca 0.22 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.50 1occ h GLU 19 Cb -0.08 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1occ h GLU 19 CO -0.05 0.26 -0.28 -0.39 -1.00 0.00 0.00 179.01 177.55 1occ h VAL 20 N 0.41 0.63 0.02 3.13 -1.51 -0.79 -0.98 116.25 117.16 1occ h VAL 20 Ca 0.28 -1.34 -0.00 0.00 -1.23 0.00 0.00 66.70 64.42 1occ h VAL 20 Cb 0.32 1.89 0.00 0.00 -2.13 0.00 0.00 31.29 31.38 1occ h VAL 20 CO -0.28 0.28 -0.01 -0.03 -1.23 0.00 0.00 177.57 176.30 1occ h MET 21 N 0.00 -0.03 0.52 5.19 1.85 0.13 -1.03 114.93 121.57 1occ h MET 21 Ca -0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 59.70 59.06 1occ h MET 21 Cb 0.87 0.01 0.01 0.00 0.43 0.00 0.00 31.60 32.91 1occ h MET 21 CO 0.04 0.33 -0.25 -0.07 -0.40 0.00 0.00 176.91 176.56 1occ h LEU 22 N -0.39 -0.59 -1.01 3.39 3.38 -0.92 -2.89 115.31 116.29 1occ h LEU 22 Ca -0.00 -0.05 0.32 0.00 0.09 0.00 0.00 57.88 58.23 1occ h LEU 22 Cb 0.37 0.15 -0.15 0.00 0.09 0.00 0.00 40.66 41.13 1occ h LEU 22 CO 0.00 -0.20 0.58 0.00 0.09 0.00 0.00 178.44 178.91 1occ h ALA 23 N -0.87 1.95 -0.56 1.53 0.00 -1.24 0.29 119.26 120.36 1occ h ALA 23 Ca -0.07 0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1occ h ALA 23 Cb 0.61 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1occ h ALA 23 CO 0.12 -0.55 0.02 0.00 0.00 0.00 0.00 179.25 178.84 1occ h ALA 24 N 1.83 0.97 0.00 0.00 0.00 -1.12 -2.18 119.26 118.77 1occ h ALA 24 Ca 0.73 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 55.29 1occ h ALA 24 Cb 1.64 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1occ h ALA 24 CO -0.59 0.63 -0.32 0.07 0.00 0.00 0.00 179.25 179.04 1occ h ARG 25 N 0.88 0.00 0.00 0.00 0.11 -0.20 -2.06 114.38 113.11 1occ h ARG 25 Ca 0.17 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.25 1occ h ARG 25 Cb 0.49 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.57 1occ h ARG 25 CO 0.02 0.32 0.00 1.63 0.10 0.00 0.00 179.97 182.04 1occ n LYS 26 N -3.52 0.92 -0.22 0.08 5.02 -1.02 -4.87 118.16 114.55 1occ n LYS 26 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1occ n LYS 26 Cb 0.47 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 1occ n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1occ n GLY 27 N 0.97 1.75 3.93 0.72 0.00 -0.77 -5.04 105.19 106.75 1occ n GLY 27 Ca 0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 1occ n GLY 27 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1occ s GLN 28 N -0.28 3.40 -0.45 1.61 -0.21 -0.84 -4.97 119.66 117.91 1occ s GLN 28 Ca 0.00 -0.09 0.06 0.00 0.02 0.00 0.00 55.36 55.35 1occ s GLN 28 Cb 0.00 -2.48 0.21 0.00 1.00 0.00 0.00 33.01 31.73 1occ s GLN 28 CO 0.00 -0.15 0.45 -3.47 -2.12 0.00 0.00 175.29 170.01 1occ n ASP 29 N -2.11 0.39 0.27 5.90 2.03 -1.26 -3.50 116.55 118.27 1occ n ASP 29 Ca -0.01 -2.65 0.15 0.00 0.52 0.00 0.00 54.79 52.81 1occ n ASP 29 Cb 0.56 -0.61 0.75 0.00 -0.72 0.00 0.00 41.12 41.10 1occ n ASP 29 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1occ h PRO 30 N 4.88 0.00 -0.57 -0.67 0.13 -1.92 -3.20 132.00 130.64 1occ h PRO 30 Ca 0.18 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 65.07 1occ h PRO 30 Cb 0.87 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.86 1occ h PRO 30 CO 0.47 0.08 0.18 0.66 -0.23 0.00 0.00 178.00 179.16 1occ n TYR 31 N -3.32 1.84 -3.96 1.56 4.02 -1.26 -4.97 117.16 111.06 1occ n TYR 31 Ca -0.01 -1.44 -0.38 0.00 -0.01 0.00 0.00 57.90 56.06 1occ n TYR 31 Cb 0.26 -0.61 0.01 0.00 -0.02 0.00 0.00 39.34 38.98 1occ n TYR 31 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1occ n ASN 32 N -0.80 -4.31 0.01 7.72 3.02 -1.21 -4.90 115.26 114.79 1occ n ASN 32 Ca 0.39 -1.16 0.07 0.00 -0.03 0.00 0.00 54.58 53.85 1occ n ASN 32 Cb 1.24 -1.56 -0.12 0.00 -0.61 0.00 0.00 39.78 38.73 1occ n ASN 32 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1occ n ILE 33 N -4.02 0.45 -4.15 2.41 5.41 -1.26 -4.96 119.36 113.25 1occ n ILE 33 Ca -0.20 -0.58 -0.24 0.00 1.00 0.00 0.00 62.75 62.73 1occ n ILE 33 Cb 0.61 -0.22 -0.06 0.00 -0.71 0.00 0.00 39.64 39.26 1occ n ILE 33 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1occ s LEU 34 N -4.98 3.63 -0.19 1.39 1.02 -1.26 -5.08 118.68 113.20 1occ s LEU 34 Ca -0.06 -0.30 -0.27 0.00 0.02 0.00 0.00 54.13 53.52 1occ s LEU 34 Cb 0.11 -2.20 -0.00 0.00 0.02 0.00 0.00 46.19 44.12 1occ s LEU 34 CO 0.86 0.02 0.93 0.00 0.02 0.00 0.00 176.35 178.18 1occ s ALA 35 N -1.97 3.58 0.23 4.21 0.00 -1.26 -5.00 121.76 121.55 1occ s ALA 35 Ca 0.31 0.11 -0.31 0.00 0.00 0.00 0.00 51.96 52.07 1occ s ALA 35 Cb -0.09 -3.38 -0.11 0.00 0.00 0.00 0.00 23.12 19.54 1occ s ALA 35 CO 0.23 -0.83 1.56 -2.14 0.00 0.00 0.00 175.76 174.57 1occ s PRO 36 N 2.62 4.19 -0.06 0.00 0.02 -1.26 -4.99 135.00 135.53 1occ s PRO 36 Ca 0.41 2.44 -0.21 0.00 0.02 0.00 0.00 61.00 63.66 1occ s PRO 36 Cb -0.16 -3.09 -0.04 0.00 0.02 0.00 0.00 34.50 31.22 1occ s PRO 36 CO 0.10 -0.58 0.62 -1.59 -0.33 0.00 0.00 177.00 175.22 1occ s LYS 37 N 0.23 4.38 0.57 5.54 0.00 -1.26 -5.05 119.74 124.15 1occ s LYS 37 Ca 0.66 0.74 -0.19 0.00 0.00 0.00 0.00 55.97 57.18 1occ s LYS 37 Cb -0.45 -3.41 -0.05 0.00 0.00 0.00 0.00 37.83 33.92 1occ s LYS 37 CO 0.40 0.19 1.15 0.00 0.00 0.00 0.00 175.35 177.08 1occ s ALA 38 N 0.43 2.63 0.04 0.59 0.00 -1.26 -5.02 121.76 119.17 1occ s ALA 38 Ca 0.33 0.84 0.01 0.00 0.00 0.00 0.00 51.96 53.14 1occ s ALA 38 Cb -0.17 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 19.58 1occ s ALA 38 CO 0.16 -0.92 0.06 0.25 0.00 0.00 0.00 175.76 175.30 1occ n THR 39 N -1.50 0.00 0.29 0.00 -2.24 -1.26 -4.99 114.28 104.59 1occ n THR 39 Ca 0.12 -0.14 0.17 0.00 -2.27 0.00 0.00 64.05 61.93 1occ n THR 39 Cb 0.51 -0.95 0.67 0.00 -2.10 0.00 0.00 70.33 68.45 1occ n THR 39 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1occ h SER 40 N 0.01 0.00 0.00 3.42 4.64 -1.93 -3.47 113.55 116.23 1occ h SER 40 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1occ h SER 40 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1occ h SER 40 CO 0.03 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 1occ n GLY 41 N 0.03 0.44 3.71 -0.77 0.00 -0.66 -4.96 105.19 102.98 1occ n GLY 41 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1occ n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1occ s THR 42 N -2.18 2.42 0.49 2.61 -4.23 -1.21 -0.49 115.64 113.05 1occ s THR 42 Ca 0.00 0.14 0.21 0.00 -1.18 0.00 0.00 61.69 60.86 1occ s THR 42 Cb 0.00 -2.65 0.38 0.00 1.34 0.00 0.00 72.50 71.57 1occ s THR 42 CO 0.00 -0.18 1.97 0.50 -0.54 0.00 0.00 174.62 176.37 1occ h LYS 43 N -1.66 0.17 0.00 3.99 3.64 -1.96 -0.52 116.57 120.23 1occ h LYS 43 Ca -0.51 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 58.85 1occ h LYS 43 Cb 1.30 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1occ h LYS 43 CO 0.56 0.11 -0.98 1.05 -2.27 0.00 0.00 179.45 177.93 1occ h GLU 44 N 0.17 0.00 -2.14 1.90 9.09 -2.01 -3.38 114.58 118.21 1occ h GLU 44 Ca 0.29 0.00 -0.55 0.00 0.05 0.00 0.00 59.36 59.15 1occ h GLU 44 Cb 0.91 0.00 -0.41 0.00 -1.65 0.00 0.00 28.75 27.59 1occ h GLU 44 CO -0.05 0.01 -0.83 -3.47 0.05 0.00 0.00 179.01 174.72 1occ n ASP 45 N -2.70 3.29 -4.75 3.06 2.03 -0.24 -5.10 116.55 112.13 1occ n ASP 45 Ca -0.00 -3.46 -0.33 0.00 0.52 0.00 0.00 54.79 51.52 1occ n ASP 45 Cb 0.56 -0.57 0.07 0.00 -0.72 0.00 0.00 41.12 40.45 1occ n ASP 45 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1occ s PRO 46 N -3.15 2.53 0.05 -0.67 0.04 -0.94 -1.66 135.00 131.20 1occ s PRO 46 Ca 0.46 1.52 -0.31 0.00 0.04 0.00 0.00 61.00 62.71 1occ s PRO 46 Cb 0.31 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.89 1occ s PRO 46 CO -0.12 -1.49 1.22 -0.80 0.04 0.00 0.00 177.00 175.85 1occ s ASN 47 N -2.39 7.05 -0.43 6.66 0.01 -0.15 -4.82 114.94 120.88 1occ s ASN 47 Ca 0.69 2.02 -0.19 0.00 -0.71 0.00 0.00 52.86 54.67 1occ s ASN 47 Cb -0.23 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 38.87 1occ s ASN 47 CO 0.43 -0.50 0.57 -0.76 -1.51 0.00 0.00 177.10 175.33 1occ s LEU 48 N 1.18 4.62 -0.55 0.60 1.43 -1.26 -0.22 118.68 124.48 1occ s LEU 48 Ca 0.59 -0.45 -0.19 0.00 -1.03 0.00 0.00 54.13 53.05 1occ s LEU 48 Cb -0.30 -2.60 0.08 0.00 0.03 0.00 0.00 46.19 43.40 1occ s LEU 48 CO 0.29 -0.70 0.67 -0.69 0.23 0.00 0.00 176.35 176.14 1occ s VAL 49 N 2.57 4.84 0.66 -1.59 1.01 0.31 -4.94 120.40 123.26 1occ s VAL 49 Ca 0.19 -0.76 -0.16 0.00 0.00 0.00 0.00 61.98 61.25 1occ s VAL 49 Cb -0.15 -4.40 0.00 0.00 0.00 0.00 0.00 36.38 31.83 1occ s VAL 49 CO 0.17 -0.98 1.15 -2.84 0.00 0.00 0.00 175.10 172.60 1occ s PRO 50 N 2.66 2.66 -0.03 2.72 0.02 -1.26 -0.88 135.00 140.89 1occ s PRO 50 Ca 0.13 1.58 -0.26 0.00 0.02 0.00 0.00 61.00 62.47 1occ s PRO 50 Cb -0.22 -1.92 0.05 0.00 0.02 0.00 0.00 34.50 32.44 1occ s PRO 50 CO 0.09 -1.40 0.56 0.45 -0.33 0.00 0.00 177.00 176.37 1occ s SER 51 N -2.21 -0.51 0.00 2.53 0.15 0.16 -4.77 113.70 109.05 1occ s SER 51 Ca 0.71 0.50 0.22 0.00 0.70 0.00 0.00 55.95 58.08 1occ s SER 51 Cb -0.25 0.47 0.52 0.00 -1.71 0.00 0.00 66.02 65.05 1occ s SER 51 CO 0.40 -0.57 1.45 0.00 1.20 0.00 0.00 173.24 175.72 1occ n ILE 52 N 1.00 0.57 -1.20 6.45 3.06 -1.26 0.35 119.36 128.32 1occ n ILE 52 Ca -0.20 -0.73 0.00 0.00 -2.50 0.00 0.00 62.75 59.33 1occ n ILE 52 Cb 0.57 0.72 0.00 0.00 0.54 0.00 0.00 39.64 41.47 1occ n ILE 52 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 1occ n THR 53 N 1.30 0.00 -1.11 9.51 -1.04 -1.26 -4.97 114.28 116.71 1occ n THR 53 Ca 0.20 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.30 1occ n THR 53 Cb 0.55 0.00 0.16 0.00 -1.82 0.00 0.00 70.33 69.22 1occ n THR 53 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1occ n ASN 54 N 0.00 2.45 -3.63 8.00 6.94 -1.26 -4.95 115.26 122.81 1occ n ASN 54 Ca 0.00 -3.16 -0.09 0.00 -0.02 0.00 0.00 54.58 51.32 1occ n ASN 54 Cb 0.00 -0.45 -0.07 0.00 -2.36 0.00 0.00 39.78 36.90 1occ n ASN 54 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 1occ s LYS 55 N -2.91 0.47 -0.07 -3.83 -2.85 -1.25 -1.34 119.74 107.95 1occ s LYS 55 Ca 0.34 0.49 -0.09 0.00 -1.00 0.00 0.00 55.97 55.71 1occ s LYS 55 Cb 0.29 0.23 0.02 0.00 -2.06 0.00 0.00 37.83 36.31 1occ s LYS 55 CO 0.03 -0.07 0.23 0.50 0.10 0.00 0.00 175.35 176.14 1occ s ARG 56 N 0.05 0.33 -0.02 1.78 3.52 -0.19 -4.92 118.95 119.50 1occ s ARG 56 Ca 0.03 0.22 -0.30 0.00 -0.13 0.00 0.00 55.73 55.55 1occ s ARG 56 Cb -0.04 0.16 -0.04 0.00 -1.56 0.00 0.00 34.95 33.46 1occ s ARG 56 CO -0.06 -0.05 1.16 0.42 -0.81 0.00 0.00 175.30 175.95 1occ s ILE 57 N -0.14 4.31 -0.08 4.11 1.01 -1.26 0.22 121.20 129.36 1occ s ILE 57 Ca -0.03 1.64 -0.01 0.00 0.00 0.00 0.00 60.65 62.26 1occ s ILE 57 Cb -0.03 -4.05 -0.03 0.00 0.01 0.00 0.00 42.46 38.36 1occ s ILE 57 CO 0.01 0.05 -0.03 -0.69 0.00 0.00 0.00 174.94 174.27 1occ s VAL 58 N 1.76 4.01 -0.15 2.92 1.01 0.23 -4.91 120.40 125.27 1occ s VAL 58 Ca 0.56 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.19 1occ s VAL 58 Cb -0.25 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.47 1occ s VAL 58 CO 0.24 0.60 -0.19 -0.83 0.00 0.00 0.00 175.10 174.93 1occ s GLY 59 N -0.84 1.42 -0.25 4.51 0.00 -1.26 -0.89 107.32 110.01 1occ s GLY 59 Ca 0.13 -1.07 -0.02 0.00 0.00 0.00 0.00 44.72 43.76 1occ s GLY 59 CO 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 173.10 173.07 1occ s ILE 61 N 1.35 4.83 0.13 0.00 1.01 -1.26 -1.16 121.20 126.10 1occ s ILE 61 Ca 0.01 -2.18 -0.26 0.00 0.00 0.00 0.00 60.65 58.21 1occ s ILE 61 Cb -0.16 -4.89 -0.07 0.00 0.01 0.00 0.00 42.46 37.35 1occ s ILE 61 CO -0.04 -1.62 1.46 0.00 0.00 0.00 0.00 174.94 174.73 1occ s GLU 63 N -5.13 2.43 0.12 0.00 2.02 -1.26 -5.05 118.70 111.83 1occ s GLU 63 Ca -0.11 -0.76 -0.15 0.00 0.02 0.00 0.00 54.97 53.97 1occ s GLU 63 Cb 0.09 -2.38 0.05 0.00 0.10 0.00 0.00 34.13 31.98 1occ s GLU 63 CO 0.52 0.60 0.96 -1.91 0.02 0.00 0.00 175.26 175.45 1occ n GLU 64 N 1.90 -0.21 -0.04 1.61 2.13 -1.26 -0.78 120.64 123.99 1occ n GLU 64 Ca -0.16 0.95 0.11 0.00 0.66 0.00 0.00 57.16 58.71 1occ n GLU 64 Cb 0.52 -1.40 0.49 0.00 0.27 0.00 0.00 31.44 31.32 1occ n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1occ n ASP 65 N -4.84 1.06 -4.62 4.31 8.00 -1.26 -4.95 116.55 114.25 1occ n ASP 65 Ca 0.04 -1.54 -0.44 0.00 0.71 0.00 0.00 54.79 53.55 1occ n ASP 65 Cb 0.20 -0.05 -0.01 0.00 -0.02 0.00 0.00 41.12 41.24 1occ n ASP 65 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1occ n ASN 66 N -0.10 1.67 -0.02 -2.24 5.03 0.04 -4.89 115.26 114.75 1occ n ASN 66 Ca 0.17 1.18 0.11 0.00 0.87 0.00 0.00 54.58 56.90 1occ n ASN 66 Cb 0.25 -1.33 -0.03 0.00 -1.02 0.00 0.00 39.78 37.64 1occ n ASN 66 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1occ n SER 67 N 1.19 0.91 -4.25 6.41 3.41 -1.26 -4.84 113.62 115.18 1occ n SER 67 Ca 0.09 -0.84 -0.35 0.00 -0.26 0.00 0.00 58.87 57.51 1occ n SER 67 Cb 0.33 0.81 -0.14 0.00 -0.26 0.00 0.00 64.21 64.94 1occ n SER 67 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1occ s THR 68 N -2.98 3.10 -0.11 6.66 2.01 -1.26 -5.09 115.64 117.97 1occ s THR 68 Ca 0.09 -0.73 -0.20 0.00 0.31 0.00 0.00 61.69 61.16 1occ s THR 68 Cb 0.16 -2.47 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 1occ s THR 68 CO 0.82 0.34 0.57 -0.69 -0.69 0.00 0.00 174.62 174.97 1occ s VAL 69 N 1.41 5.12 -0.29 3.82 1.01 -1.26 -4.62 120.40 125.58 1occ s VAL 69 Ca 0.04 1.15 -0.22 0.00 0.00 0.00 0.00 61.98 62.94 1occ s VAL 69 Cb -0.15 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.32 1occ s VAL 69 CO -0.04 0.28 0.71 -0.63 0.00 0.00 0.00 175.10 175.42 1occ s ILE 70 N 0.82 4.87 -0.04 2.22 -1.09 -0.31 -4.82 121.20 122.86 1occ s ILE 70 Ca 0.30 1.10 -0.03 0.00 -2.23 0.00 0.00 60.65 59.79 1occ s ILE 70 Cb -0.16 -4.06 -0.04 0.00 -1.58 0.00 0.00 42.46 36.62 1occ s ILE 70 CO 0.13 -0.16 0.12 0.26 -1.23 0.00 0.00 174.94 174.06 1occ s TRP 71 N 2.76 3.42 -0.19 3.97 0.52 -1.26 0.43 118.94 128.60 1occ s TRP 71 Ca 0.29 0.32 -0.30 0.00 0.02 0.00 0.00 56.10 56.43 1occ s TRP 71 Cb -0.15 -1.81 0.15 0.00 -1.15 0.00 0.00 33.47 30.51 1occ s TRP 71 CO 0.11 0.61 1.11 -0.59 0.02 0.00 0.00 176.95 178.21 1occ s PHE 72 N -1.17 -0.26 0.03 -1.98 -0.12 -0.07 -4.98 117.98 109.44 1occ s PHE 72 Ca 0.21 0.41 -0.30 0.00 -0.05 0.00 0.00 56.93 57.20 1occ s PHE 72 Cb -0.12 0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 42.70 1occ s PHE 72 CO 0.12 -0.26 1.05 -1.58 -0.05 0.00 0.00 175.22 174.51 1occ s TRP 73 N -1.29 3.60 -0.28 3.49 0.52 -1.26 0.77 118.94 124.49 1occ s TRP 73 Ca 0.02 1.58 -0.10 0.00 0.02 0.00 0.00 56.10 57.62 1occ s TRP 73 Cb -0.01 -3.22 -0.04 0.00 -1.15 0.00 0.00 33.47 29.06 1occ s TRP 73 CO -0.02 -0.42 0.16 -1.17 0.02 0.00 0.00 176.95 175.53 1occ s LEU 74 N 0.93 3.91 0.30 2.99 0.20 0.13 -4.90 118.68 122.25 1occ s LEU 74 Ca 0.54 -0.10 0.05 0.00 0.69 0.00 0.00 54.13 55.30 1occ s LEU 74 Cb -0.24 -2.07 -0.02 0.00 -0.43 0.00 0.00 46.19 43.43 1occ s LEU 74 CO 0.29 -0.06 0.44 -1.00 -0.29 0.00 0.00 176.35 175.73 1occ s HIS 75 N 1.72 3.33 0.18 5.38 3.76 -1.26 -1.02 115.29 127.38 1occ s HIS 75 Ca 0.07 -0.01 -0.31 0.00 -0.15 0.00 0.00 55.06 54.65 1occ s HIS 75 Cb -0.16 -1.80 -0.10 0.00 1.11 0.00 0.00 32.58 31.63 1occ s HIS 75 CO 0.09 0.19 1.51 0.21 -0.85 0.00 0.00 174.74 175.90 1occ s LYS 76 N -4.13 4.24 0.00 1.40 2.20 -0.45 -4.37 119.74 118.63 1occ s LYS 76 Ca 0.39 2.31 0.00 0.00 -0.36 0.00 0.00 55.97 58.31 1occ s LYS 76 Cb -0.09 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 1occ s LYS 76 CO 0.31 -0.54 0.00 0.41 -0.36 0.00 0.00 175.35 175.17 1occ n GLY 77 N 3.33 0.58 3.75 5.54 0.00 -1.26 -5.06 105.19 112.07 1occ n GLY 77 Ca 0.12 -1.44 -0.34 0.00 0.00 0.00 0.00 46.02 44.35 1occ n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1occ s GLU 78 N -1.95 2.74 0.50 1.61 0.41 -1.26 -4.70 118.70 116.05 1occ s GLU 78 Ca 0.00 1.64 -0.23 0.00 -0.41 0.00 0.00 54.97 55.97 1occ s GLU 78 Cb 0.00 -1.92 -0.07 0.00 -1.78 0.00 0.00 34.13 30.36 1occ s GLU 78 CO 0.00 -1.34 1.19 0.00 -0.49 0.00 0.00 175.26 174.62 1occ n ALA 79 N -2.12 0.97 -2.55 5.21 0.00 -1.26 -4.87 120.51 115.88 1occ n ALA 79 Ca 0.12 0.16 -0.26 0.00 0.00 0.00 0.00 53.44 53.46 1occ n ALA 79 Cb 0.51 -2.23 -0.10 0.00 0.00 0.00 0.00 19.45 17.62 1occ n ALA 79 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1occ s GLN 80 N -2.49 1.86 -0.02 0.00 -0.21 0.28 -4.90 119.66 114.19 1occ s GLN 80 Ca 0.67 -1.95 0.05 0.00 0.02 0.00 0.00 55.36 54.16 1occ s GLN 80 Cb -0.47 -1.72 -0.01 0.00 1.00 0.00 0.00 33.01 31.81 1occ s GLN 80 CO 0.53 0.11 -0.17 1.03 -2.12 0.00 0.00 175.29 174.67 1occ s ARG 81 N -3.64 1.43 0.07 2.91 0.52 -1.26 -0.57 118.95 118.42 1occ s ARG 81 Ca 0.33 -0.62 -0.36 0.00 -0.52 0.00 0.00 55.73 54.56 1occ s ARG 81 Cb 0.03 -1.38 -0.15 0.00 0.52 0.00 0.00 34.95 33.98 1occ s ARG 81 CO 0.17 0.37 1.52 0.00 0.02 0.00 0.00 175.30 177.38 1occ h PRO 83 N 5.77 0.00 0.00 0.00 0.11 -1.94 0.22 132.00 136.16 1occ h PRO 83 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1occ h PRO 83 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1occ h PRO 83 CO 0.85 0.00 -1.67 -1.13 -0.21 0.00 0.00 178.00 175.85 1occ n SER 84 N -3.91 0.28 -0.74 -2.05 3.41 -1.26 -4.71 113.62 104.63 1occ n SER 84 Ca -0.01 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1occ n SER 84 Cb 0.18 1.50 -0.00 0.00 -0.26 0.00 0.00 64.21 65.63 1occ n SER 84 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1occ n GLY 86 N 0.10 1.69 2.16 0.00 0.00 0.74 -4.87 105.19 105.01 1occ n GLY 86 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1occ n GLY 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1occ n THR 87 N 0.00 -6.51 -3.08 2.61 -1.04 -1.26 0.28 114.28 105.28 1occ n THR 87 Ca 0.00 1.55 -0.37 0.00 -2.04 0.00 0.00 64.05 63.18 1occ n THR 87 Cb 0.00 -3.68 -0.06 0.00 -1.82 0.00 0.00 70.33 64.77 1occ n THR 87 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1occ s HIS 88 N -0.29 3.74 -0.01 -1.42 0.09 0.35 -1.99 115.29 115.77 1occ s HIS 88 Ca 0.00 1.46 0.02 0.00 -0.00 0.00 0.00 55.06 56.54 1occ s HIS 88 Cb 0.00 -2.66 -0.00 0.00 -0.00 0.00 0.00 32.58 29.92 1occ s HIS 88 CO 0.00 0.41 -0.06 0.71 -0.00 0.00 0.00 174.74 175.80 1occ s TYR 89 N -1.37 0.60 -0.04 1.40 2.02 0.27 -0.97 117.35 119.25 1occ s TYR 89 Ca 0.39 -0.12 0.01 0.00 -0.37 0.00 0.00 57.07 56.99 1occ s TYR 89 Cb -0.19 -0.41 0.02 0.00 -0.40 0.00 0.00 41.96 40.98 1occ s TYR 89 CO 0.22 -0.03 -0.05 0.21 -1.57 0.00 0.00 175.55 174.34 1occ s LYS 90 N -0.03 0.82 0.66 -0.62 2.20 0.69 -0.55 119.74 122.90 1occ s LYS 90 Ca 0.01 -0.11 -0.15 0.00 -0.36 0.00 0.00 55.97 55.36 1occ s LYS 90 Cb -0.04 -0.82 -0.00 0.00 -1.51 0.00 0.00 37.83 35.46 1occ s LYS 90 CO -0.00 -0.07 1.11 -1.17 -0.36 0.00 0.00 175.35 174.86 1occ s LEU 91 N 0.86 3.39 -0.10 5.43 2.96 -1.26 -0.53 118.68 129.42 1occ s LEU 91 Ca -0.12 1.99 -0.15 0.00 -0.22 0.00 0.00 54.13 55.64 1occ s LEU 91 Cb -0.14 -4.55 0.03 0.00 0.50 0.00 0.00 46.19 42.03 1occ s LEU 91 CO 0.00 -1.62 0.38 -0.69 -1.32 0.00 0.00 176.35 173.10 1occ s VAL 92 N -2.35 0.02 0.32 1.68 1.01 -0.06 -4.79 120.40 116.23 1occ s VAL 92 Ca 0.67 -0.14 -0.29 0.00 0.00 0.00 0.00 61.98 62.22 1occ s VAL 92 Cb -0.20 -0.59 -0.10 0.00 0.00 0.00 0.00 36.38 35.49 1occ s VAL 92 CO 0.42 -0.08 1.30 -2.16 0.00 0.00 0.00 175.10 174.58 1occ s PRO 93 N -0.30 4.37 -0.36 2.72 0.04 -1.26 0.39 135.00 140.59 1occ s PRO 93 Ca -0.04 2.20 -0.28 0.00 0.04 0.00 0.00 61.00 62.92 1occ s PRO 93 Cb -0.03 -3.08 0.02 0.00 0.04 0.00 0.00 34.50 31.44 1occ s PRO 93 CO 0.02 -0.18 1.02 -1.58 0.04 0.00 0.00 177.00 176.32 1occ s HIS 94 N -1.08 3.07 0.00 0.56 2.46 0.15 -4.54 115.29 115.91 1occ s HIS 94 Ca 0.49 0.94 0.00 0.00 0.47 0.00 0.00 55.06 56.96 1occ s HIS 94 Cb -0.39 -3.79 0.00 0.00 -0.13 0.00 0.00 32.58 28.27 1occ s HIS 94 CO 0.52 -0.87 0.00 0.00 -2.47 0.00 0.00 174.74 171.92 1occ n GLN 95 N 6.98 0.00 -1.77 2.88 -0.00 -1.26 -4.80 117.38 119.41 1occ n GLN 95 Ca 0.10 0.00 -0.42 0.00 -0.00 0.00 0.00 57.00 56.67 1occ n GLN 95 Cb 0.48 -0.13 -0.03 0.00 -0.00 0.00 0.00 30.24 30.55 1occ n GLN 95 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1occ s LEU 96 N 0.00 4.12 -0.25 2.61 2.96 -1.26 -4.96 118.68 121.90 1occ s LEU 96 Ca 0.00 2.28 -0.02 0.00 -0.22 0.00 0.00 54.13 56.17 1occ s LEU 96 Cb 0.00 -3.53 0.13 0.00 0.50 0.00 0.00 46.19 43.30 1occ s LEU 96 CO 0.00 -1.27 0.37 0.00 -1.32 0.00 0.00 176.35 174.13 1occ s ALA 97 N 5.37 -1.04 0.00 5.97 0.00 -1.26 -4.68 121.76 126.13 1occ s ALA 97 Ca 0.86 0.80 0.00 0.00 0.00 0.00 0.00 51.96 53.62 1occ s ALA 97 Cb -0.37 -1.68 0.00 0.00 0.00 0.00 0.00 23.12 21.07 1occ s ALA 97 CO 0.37 -1.30 0.42 -2.39 0.00 0.00 0.00 175.76 172.85