#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aps n THR 2 N 0.00 2.05 0.00 2.46 -2.24 -1.26 -4.87 114.28 110.42 1aps n THR 2 Ca 0.00 -0.89 0.00 0.00 -2.27 0.00 0.00 64.05 60.89 1aps n THR 2 Cb 0.00 -1.71 0.00 0.00 -2.10 0.00 0.00 70.33 66.52 1aps n THR 2 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1aps n ALA 3 N 2.27 0.00 -1.59 6.98 0.00 -1.26 -4.82 120.51 122.09 1aps n ALA 3 Ca 0.22 0.00 -0.56 0.00 0.00 0.00 0.00 53.44 53.10 1aps n ALA 3 Cb 0.60 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.98 1aps n ALA 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1aps n ARG 4 N 0.00 0.73 -0.16 0.00 1.74 -1.26 -4.84 116.66 112.86 1aps n ARG 4 Ca 0.00 0.26 0.24 0.00 -0.77 0.00 0.00 57.85 57.59 1aps n ARG 4 Cb 0.00 -1.86 0.66 0.00 -1.02 0.00 0.00 32.46 30.24 1aps n ARG 4 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1aps h PRO 5 N 4.51 0.11 -4.81 5.56 0.11 -1.92 -3.27 132.00 132.28 1aps h PRO 5 Ca -0.48 -0.01 -0.66 0.00 0.11 0.00 0.00 66.00 64.96 1aps h PRO 5 Cb 1.36 -0.02 -0.21 0.00 0.11 0.00 0.00 31.00 32.24 1aps h PRO 5 CO 0.78 0.07 -0.54 -0.51 -0.21 0.00 0.00 178.00 177.59 1aps s LEU 6 N -8.82 4.08 -0.21 2.35 2.01 -0.54 -4.66 118.68 112.89 1aps s LEU 6 Ca -0.06 -0.36 -0.24 0.00 0.01 0.00 0.00 54.13 53.47 1aps s LEU 6 Cb 0.21 -2.04 -0.01 0.00 0.01 0.00 0.00 46.19 44.37 1aps s LEU 6 CO 0.77 -0.15 0.81 -0.75 1.01 0.00 0.00 176.35 178.03 1aps s LYS 7 N 1.66 4.22 -0.63 1.70 2.20 -0.84 -0.67 119.74 127.39 1aps s LYS 7 Ca 0.06 0.93 -0.07 0.00 -0.36 0.00 0.00 55.97 56.52 1aps s LYS 7 Cb -0.17 -3.62 0.16 0.00 -1.51 0.00 0.00 37.83 32.70 1aps s LYS 7 CO 0.08 -0.43 0.49 0.45 -0.36 0.00 0.00 175.35 175.57 1aps s SER 8 N 1.27 5.75 -0.45 1.43 0.15 0.03 -0.41 113.70 121.46 1aps s SER 8 Ca 0.35 -2.53 -0.16 0.00 0.70 0.00 0.00 55.95 54.31 1aps s SER 8 Cb -0.16 -1.98 0.05 0.00 -1.71 0.00 0.00 66.02 62.22 1aps s SER 8 CO 0.09 -0.51 0.42 0.54 1.20 0.00 0.00 173.24 174.98 1aps s VAL 9 N 0.42 5.15 -0.85 4.45 0.11 0.03 -0.82 120.40 128.89 1aps s VAL 9 Ca 0.14 -0.72 -0.22 0.00 -2.93 0.00 0.00 61.98 58.25 1aps s VAL 9 Cb -0.19 -4.09 0.08 0.00 -1.53 0.00 0.00 36.38 30.64 1aps s VAL 9 CO -0.04 -0.52 1.17 -1.81 -3.33 0.00 0.00 175.10 170.57 1aps s ASP 10 N 2.24 6.41 0.91 3.54 1.01 0.16 -1.16 116.67 129.78 1aps s ASP 10 Ca 0.08 -1.40 -0.12 0.00 0.71 0.00 0.00 52.55 51.82 1aps s ASP 10 Cb -0.21 -2.46 0.14 0.00 1.01 0.00 0.00 42.92 41.40 1aps s ASP 10 CO 0.10 -1.37 1.10 -0.72 0.21 0.00 0.00 175.17 174.48 1aps s TYR 11 N 4.00 2.33 -0.15 4.23 -0.85 -0.87 -2.00 117.35 124.04 1aps s TYR 11 Ca 0.33 1.14 -0.03 0.00 -0.52 0.00 0.00 57.07 57.99 1aps s TYR 11 Cb -0.08 -3.20 0.05 0.00 0.38 0.00 0.00 41.96 39.11 1aps s TYR 11 CO -0.01 -2.46 0.04 -1.21 -1.52 0.00 0.00 175.55 170.39 1aps s GLU 12 N -4.99 0.47 -0.05 -3.49 2.02 -0.15 -3.18 118.70 109.32 1aps s GLU 12 Ca 0.64 -0.17 -0.30 0.00 0.02 0.00 0.00 54.97 55.16 1aps s GLU 12 Cb -0.17 -1.68 -0.04 0.00 0.10 0.00 0.00 34.13 32.34 1aps s GLU 12 CO 0.56 -0.55 1.28 0.08 0.02 0.00 0.00 175.26 176.65 1aps s VAL 13 N 1.97 4.08 -0.60 2.63 1.01 -0.71 -1.50 120.40 127.28 1aps s VAL 13 Ca 0.02 1.41 -0.03 0.00 0.00 0.00 0.00 61.98 63.38 1aps s VAL 13 Cb -0.15 -3.91 0.15 0.00 0.00 0.00 0.00 36.38 32.47 1aps s VAL 13 CO -0.07 -0.01 0.41 -0.36 0.00 0.00 0.00 175.10 175.06 1aps s PHE 14 N 2.41 3.43 -0.42 5.22 0.08 0.14 -4.21 117.98 124.63 1aps s PHE 14 Ca 0.59 -2.68 0.02 0.00 0.12 0.00 0.00 56.93 54.98 1aps s PHE 14 Cb -0.27 -3.20 0.15 0.00 -0.57 0.00 0.00 43.02 39.13 1aps s PHE 14 CO 0.23 -0.86 0.27 0.20 -0.10 0.00 0.00 175.22 174.96 1aps s GLY 15 N 0.84 1.37 0.12 4.36 0.00 -1.26 -0.84 107.32 111.91 1aps s GLY 15 Ca 0.16 -2.39 -0.28 0.00 0.00 0.00 0.00 44.72 42.20 1aps s GLY 15 CO -0.03 1.83 1.61 3.21 0.00 0.00 0.00 173.10 179.71 1aps h ARG 16 N 6.50 -0.50 -5.27 2.90 3.08 -1.96 -3.11 114.38 116.02 1aps h ARG 16 Ca 0.09 0.03 -0.64 0.00 0.07 0.00 0.00 59.98 59.53 1aps h ARG 16 Cb 0.93 0.11 -0.21 0.00 0.08 0.00 0.00 29.97 30.87 1aps h ARG 16 CO 0.40 -0.33 -0.66 0.54 -1.07 0.00 0.00 179.97 178.85 1aps s VAL 17 N -5.99 3.94 0.00 2.04 0.11 -1.26 -4.72 120.40 114.52 1aps s VAL 17 Ca -0.16 -0.34 0.00 0.00 -2.93 0.00 0.00 61.98 58.56 1aps s VAL 17 Cb 0.09 -2.74 0.00 0.00 -1.53 0.00 0.00 36.38 32.20 1aps s VAL 17 CO 0.65 0.48 0.00 1.67 -3.33 0.00 0.00 175.10 174.57 1aps n GLN 18 N 3.63 0.00 -0.03 1.54 -0.06 -1.26 -4.43 117.38 116.77 1aps n GLN 18 Ca -0.17 0.00 -0.01 0.00 -2.00 0.00 0.00 57.00 54.82 1aps n GLN 18 Cb 0.52 -0.76 -0.01 0.00 -4.06 0.00 0.00 30.24 25.93 1aps n GLN 18 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1aps n GLY 19 N 0.00 -0.33 2.80 1.69 0.00 -0.30 -3.15 105.19 105.91 1aps n GLY 19 Ca 0.00 0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 1aps n GLY 19 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1aps n VAL 20 N -3.30 2.09 0.00 1.61 0.24 -1.26 -3.93 118.33 113.78 1aps n VAL 20 Ca 0.00 -1.42 0.00 0.00 -2.04 0.00 0.00 64.34 60.88 1aps n VAL 20 Cb 0.02 -2.17 0.00 0.00 -1.47 0.00 0.00 33.84 30.22 1aps n VAL 20 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1aps n PHE 22 N -0.44 0.00 0.00 0.00 1.16 -0.31 -4.82 117.46 113.04 1aps n PHE 22 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1aps n PHE 22 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 1aps n PHE 22 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1aps n ARG 23 N 0.00 0.00 -0.25 3.97 3.00 -1.26 -2.13 116.66 119.99 1aps n ARG 23 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 57.85 57.78 1aps n ARG 23 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.45 1aps n ARG 23 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.63 178.15 1aps h MET 24 N 0.00 -0.15 0.65 5.56 2.86 -1.90 0.13 114.93 122.08 1aps h MET 24 Ca 0.00 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1aps h MET 24 Cb 0.00 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1aps h MET 24 CO 0.00 -0.10 -0.43 -0.92 1.06 0.00 0.00 176.91 176.52 1aps h TYR 25 N -0.15 -1.15 0.29 -0.22 3.20 -1.72 -1.77 116.97 115.45 1aps h TYR 25 Ca 0.23 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 1aps h TYR 25 Cb 0.56 0.42 0.00 0.00 1.54 0.00 0.00 36.73 39.25 1aps h TYR 25 CO -0.74 -0.64 -0.15 0.00 -1.64 0.00 0.00 178.16 175.00 1aps h ALA 26 N -0.81 -0.41 -0.08 1.82 0.00 -1.21 -3.12 119.26 115.44 1aps h ALA 26 Ca -0.08 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1aps h ALA 26 Cb 0.84 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 1aps h ALA 26 CO 0.06 -0.73 -0.30 0.93 0.00 0.00 0.00 179.25 179.20 1aps h GLU 27 N -0.41 -0.39 0.06 0.00 3.07 -0.65 0.41 114.58 116.67 1aps h GLU 27 Ca -0.04 0.03 0.02 0.00 -0.50 0.00 0.00 59.36 58.87 1aps h GLU 27 Cb 0.32 0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.29 1aps h GLU 27 CO 0.06 -0.26 -0.16 -0.44 -1.40 0.00 0.00 179.01 176.80 1aps h ASP 28 N -0.40 -0.46 -0.15 1.42 3.32 -1.32 -0.67 116.42 118.15 1aps h ASP 28 Ca 0.08 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 1aps h ASP 28 Cb 0.53 0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 1aps h ASP 28 CO -0.31 -0.23 0.00 -0.33 -1.72 0.00 0.00 179.24 176.64 1aps h GLU 29 N -0.30 0.26 -0.42 3.56 3.07 -1.43 -2.99 114.58 116.33 1aps h GLU 29 Ca 0.03 -0.08 0.06 0.00 -0.50 0.00 0.00 59.36 58.87 1aps h GLU 29 Cb 0.34 -0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 28.17 1aps h GLU 29 CO -0.11 0.49 0.10 0.00 -1.40 0.00 0.00 179.01 178.09 1aps h ALA 30 N 0.76 0.47 -0.14 3.43 0.00 -0.50 -1.42 119.26 121.86 1aps h ALA 30 Ca 0.04 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1aps h ALA 30 Cb 0.37 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1aps h ALA 30 CO 0.01 -0.30 -0.09 0.00 0.00 0.00 0.00 179.25 178.87 1aps h ARG 31 N 0.24 -0.08 -0.77 0.00 3.08 -1.12 -0.70 114.38 115.04 1aps h ARG 31 Ca 0.20 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.31 1aps h ARG 31 Cb 0.24 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.26 1aps h ARG 31 CO -0.25 -0.05 0.50 0.87 -1.07 0.00 0.00 179.97 179.97 1aps h LYS 32 N -0.08 0.85 0.01 0.04 1.57 -1.23 -2.05 116.57 115.68 1aps h LYS 32 Ca 0.08 -0.05 -0.23 0.00 -1.87 0.00 0.00 60.65 58.58 1aps h LYS 32 Cb 0.21 -0.19 0.01 0.00 0.08 0.00 0.00 32.23 32.33 1aps h LYS 32 CO -0.20 0.56 -0.98 0.82 -0.57 0.00 0.00 179.45 179.09 1aps h ILE 33 N 0.87 1.39 -1.46 1.86 1.08 -0.85 -3.49 117.51 116.91 1aps h ILE 33 Ca 0.32 -2.45 0.00 0.00 -0.39 0.00 0.00 64.86 62.34 1aps h ILE 33 Cb 0.15 2.44 0.00 0.00 -3.07 0.00 0.00 36.82 36.35 1aps h ILE 33 CO -0.10 0.73 0.00 0.61 -0.69 0.00 0.00 178.15 178.70 1aps n GLY 34 N 1.00 0.41 3.44 5.37 0.00 -0.31 -5.10 105.19 110.00 1aps n GLY 34 Ca -0.07 -0.50 -0.15 0.00 0.00 0.00 0.00 46.02 45.30 1aps n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aps s VAL 35 N -2.49 0.01 0.46 1.61 0.11 -0.45 -4.72 120.40 114.94 1aps s VAL 35 Ca 0.00 -0.11 0.00 0.00 -2.93 0.00 0.00 61.98 58.94 1aps s VAL 35 Cb 0.00 -0.99 0.00 0.00 -1.53 0.00 0.00 36.38 33.86 1aps s VAL 35 CO 0.00 -0.06 0.00 0.55 -3.33 0.00 0.00 175.10 172.26 1aps n VAL 36 N 0.36 -1.91 0.00 2.04 3.14 0.26 -3.01 118.33 119.21 1aps n VAL 36 Ca -0.18 1.03 0.00 0.00 -2.96 0.00 0.00 64.34 62.23 1aps n VAL 36 Cb 0.60 -1.70 0.00 0.00 -1.06 0.00 0.00 33.84 31.69 1aps n VAL 36 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1aps n GLY 37 N -2.67 0.44 3.18 7.55 0.00 -1.01 -0.94 105.19 111.73 1aps n GLY 37 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 1aps n GLY 37 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1aps s TRP 38 N 0.00 0.94 -0.10 1.61 1.48 -1.26 -0.37 118.94 121.24 1aps s TRP 38 Ca 0.00 -0.88 -0.01 0.00 -1.06 0.00 0.00 56.10 54.15 1aps s TRP 38 Cb 0.00 -0.53 -0.03 0.00 -1.16 0.00 0.00 33.47 31.75 1aps s TRP 38 CO 0.00 -0.11 -0.05 0.08 -4.06 0.00 0.00 176.95 172.81 1aps s VAL 39 N -3.51 3.82 -0.08 -0.66 1.01 -0.84 -0.97 120.40 119.17 1aps s VAL 39 Ca 0.12 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.72 1aps s VAL 39 Cb 0.04 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 1aps s VAL 39 CO -0.04 0.56 -0.21 -1.59 0.00 0.00 0.00 175.10 173.82 1aps s LYS 40 N -0.38 2.88 0.41 2.72 -2.85 0.12 -0.74 119.74 121.89 1aps s LYS 40 Ca 0.06 -0.83 -0.24 0.00 -1.00 0.00 0.00 55.97 53.96 1aps s LYS 40 Cb -0.12 -2.32 -0.09 0.00 -2.06 0.00 0.00 37.83 33.23 1aps s LYS 40 CO 0.02 0.31 1.05 -0.80 0.10 0.00 0.00 175.35 176.03 1aps s ASN 41 N 0.04 6.71 0.26 0.03 -0.87 -0.27 -1.66 114.94 119.18 1aps s ASN 41 Ca -0.08 2.03 0.09 0.00 -1.57 0.00 0.00 52.86 53.33 1aps s ASN 41 Cb -0.15 -2.58 -0.05 0.00 -0.02 0.00 0.00 41.25 38.44 1aps s ASN 41 CO 0.05 -0.53 -0.14 0.42 -2.57 0.00 0.00 177.10 174.33 1aps s THR 42 N -1.70 2.06 0.42 1.60 -4.23 -1.26 -4.90 115.64 107.63 1aps s THR 42 Ca 0.59 -2.27 0.35 0.00 -1.18 0.00 0.00 61.69 59.18 1aps s THR 42 Cb -0.21 -2.29 0.37 0.00 1.34 0.00 0.00 72.50 71.71 1aps s THR 42 CO 0.27 -0.42 2.15 0.77 -0.54 0.00 0.00 174.62 176.85 1aps h SER 43 N 2.33 0.00 -0.66 3.99 4.64 -1.99 -3.26 113.55 118.61 1aps h SER 43 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1aps h SER 43 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1aps h SER 43 CO 0.63 0.05 0.00 0.29 -0.87 0.00 0.00 176.83 176.93 1aps n LYS 44 N -3.32 3.03 0.00 4.77 5.02 -1.26 -4.95 118.16 121.44 1aps n LYS 44 Ca -0.02 -2.66 0.00 0.00 -2.02 0.00 0.00 58.31 53.61 1aps n LYS 44 Cb 0.20 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 1aps n LYS 44 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1aps n GLY 45 N 1.34 1.26 3.58 0.72 0.00 -1.23 -4.87 105.19 105.99 1aps n GLY 45 Ca 0.23 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.10 1aps n GLY 45 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1aps n THR 46 N 0.00 0.23 -2.39 2.61 -2.24 -1.26 -4.90 114.28 106.33 1aps n THR 46 Ca 0.00 -0.24 -0.40 0.00 -2.27 0.00 0.00 64.05 61.14 1aps n THR 46 Cb 0.00 -2.02 -0.04 0.00 -2.10 0.00 0.00 70.33 66.17 1aps n THR 46 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1aps s VAL 47 N 16.77 3.31 -0.12 2.28 0.11 -1.26 -4.50 120.40 137.00 1aps s VAL 47 Ca 0.80 1.27 -0.00 0.00 -2.93 0.00 0.00 61.98 61.12 1aps s VAL 47 Cb -0.04 -3.79 -0.02 0.00 -1.53 0.00 0.00 36.38 31.00 1aps s VAL 47 CO 0.18 0.26 -0.12 0.28 -3.33 0.00 0.00 175.10 172.38 1aps s THR 48 N -1.23 3.19 0.01 5.04 -1.32 -0.66 -1.75 115.64 118.92 1aps s THR 48 Ca 0.48 -0.62 0.03 0.00 -1.21 0.00 0.00 61.69 60.36 1aps s THR 48 Cb -0.32 -2.33 -0.01 0.00 -1.51 0.00 0.00 72.50 68.32 1aps s THR 48 CO 0.42 0.53 -0.09 -0.83 -2.21 0.00 0.00 174.62 172.44 1aps s GLY 49 N 0.17 0.47 -0.94 6.08 0.00 -1.19 0.11 107.32 112.02 1aps s GLY 49 Ca -0.06 -0.50 -0.13 0.00 0.00 0.00 0.00 44.72 44.02 1aps s GLY 49 CO 0.05 -0.47 0.94 1.62 0.00 0.00 0.00 173.10 175.23 1aps s GLN 50 N -0.63 3.79 -1.16 2.90 0.74 -0.14 -2.05 119.66 123.11 1aps s GLN 50 Ca 0.00 -2.59 -0.16 0.00 0.05 0.00 0.00 55.36 52.66 1aps s GLN 50 Cb -0.05 -4.55 0.13 0.00 1.10 0.00 0.00 33.01 29.64 1aps s GLN 50 CO 0.00 -1.36 1.45 0.08 -0.55 0.00 0.00 175.29 174.91 1aps s VAL 51 N 0.16 4.69 -0.33 1.34 1.01 -0.31 -2.41 120.40 124.54 1aps s VAL 51 Ca 0.24 -2.13 -0.22 0.00 0.00 0.00 0.00 61.98 59.87 1aps s VAL 51 Cb -0.09 -4.96 0.00 0.00 0.00 0.00 0.00 36.38 31.33 1aps s VAL 51 CO -0.08 -1.72 0.74 -1.58 0.00 0.00 0.00 175.10 172.46 1aps s GLN 52 N 2.64 3.84 0.00 2.72 0.74 -1.26 -0.79 119.66 127.55 1aps s GLN 52 Ca 0.44 0.37 0.00 0.00 0.05 0.00 0.00 55.36 56.22 1aps s GLN 52 Cb -0.01 -3.77 0.00 0.00 1.10 0.00 0.00 33.01 30.33 1aps s GLN 52 CO -0.01 -0.73 0.00 0.41 -0.55 0.00 0.00 175.29 174.41 1aps n GLY 53 N 4.42 -1.02 0.00 2.59 0.00 0.45 -0.57 105.19 111.06 1aps n GLY 53 Ca 0.02 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1aps n GLY 53 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1aps n PRO 54 N 0.00 0.00 -3.84 1.61 -0.02 -1.23 -1.98 135.00 129.54 1aps n PRO 54 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.19 1aps n PRO 54 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 33.50 33.32 1aps n PRO 54 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1aps s GLU 55 N 0.00 1.15 1.48 -0.52 2.12 -1.26 -3.84 118.70 117.83 1aps s GLU 55 Ca 0.00 -0.88 0.00 0.00 0.36 0.00 0.00 54.97 54.45 1aps s GLU 55 Cb 0.00 -2.37 0.00 0.00 0.26 0.00 0.00 34.13 32.02 1aps s GLU 55 CO 0.00 -0.70 0.00 0.39 -0.54 0.00 0.00 175.26 174.41 1aps n GLU 56 N 4.80 0.00 -0.25 4.30 1.02 -1.26 -1.88 120.64 127.37 1aps n GLU 56 Ca -0.08 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.04 1aps n GLU 56 Cb 0.44 0.00 0.10 0.00 -0.02 0.00 0.00 31.44 31.97 1aps n GLU 56 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1aps h LYS 57 N 0.00 0.74 -0.05 3.49 3.64 -2.01 -1.29 116.57 121.10 1aps h LYS 57 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1aps h LYS 57 Cb 0.00 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 1aps h LYS 57 CO 0.00 0.49 0.00 1.55 -2.27 0.00 0.00 179.45 179.22 1aps n VAL 58 N -4.74 0.05 -0.08 2.00 3.14 -0.79 -2.77 118.33 115.14 1aps n VAL 58 Ca 0.09 -0.15 0.02 0.00 -2.96 0.00 0.00 64.34 61.34 1aps n VAL 58 Cb 0.16 0.01 0.34 0.00 -1.06 0.00 0.00 33.84 33.29 1aps n VAL 58 CO 0.00 0.00 0.00 0.78 -6.46 0.00 0.00 176.83 171.15 1aps h ASN 59 N 1.12 0.63 -0.99 6.55 4.21 -1.38 -2.34 115.58 123.39 1aps h ASN 59 Ca 0.00 -0.03 0.20 0.00 1.21 0.00 0.00 56.30 57.68 1aps h ASN 59 Cb 0.24 -0.16 -0.10 0.00 -1.12 0.00 0.00 38.32 37.19 1aps h ASN 59 CO 0.00 0.48 0.62 0.28 -1.29 0.00 0.00 177.43 177.52 1aps h SER 60 N 0.73 0.68 0.33 5.81 0.02 -1.65 0.73 113.55 120.19 1aps h SER 60 Ca 0.19 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.21 1aps h SER 60 Cb -0.04 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.47 1aps h SER 60 CO -0.04 0.24 -0.16 -0.03 -1.14 0.00 0.00 176.83 175.70 1aps h MET 61 N 0.66 -0.42 -0.16 3.45 -1.53 -1.65 -0.37 114.93 114.92 1aps h MET 61 Ca 0.56 0.03 0.04 0.00 -3.44 0.00 0.00 59.70 56.89 1aps h MET 61 Cb 1.01 0.10 -0.05 0.00 -0.55 0.00 0.00 31.60 32.11 1aps h MET 61 CO -0.33 -0.28 -0.14 -0.22 0.14 0.00 0.00 176.91 176.08 1aps h LYS 62 N -0.45 -0.16 -0.33 0.39 3.64 -1.45 -0.71 116.57 117.51 1aps h LYS 62 Ca -0.04 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.41 1aps h LYS 62 Cb 0.34 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 1aps h LYS 62 CO 0.07 -0.10 0.23 1.03 -2.27 0.00 0.00 179.45 178.41 1aps h SER 63 N -0.16 0.12 0.01 4.20 0.87 -0.55 -1.82 113.55 116.23 1aps h SER 63 Ca 0.10 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1aps h SER 63 Cb 0.31 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 1aps h SER 63 CO -0.25 0.08 -0.01 -0.25 -0.53 0.00 0.00 176.83 175.87 1aps h TRP 64 N 0.13 -0.02 -0.59 2.24 7.01 -0.71 -3.41 115.95 120.61 1aps h TRP 64 Ca 0.15 -0.00 0.17 0.00 2.11 0.00 0.00 58.89 61.32 1aps h TRP 64 Cb 0.43 0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.47 1aps h TRP 64 CO -0.00 0.77 0.56 1.25 -2.79 0.00 0.00 178.44 178.23 1aps h LEU 65 N -0.86 0.00 0.38 0.65 5.85 -0.25 -1.53 115.31 119.56 1aps h LEU 65 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1aps h LEU 65 Cb 0.79 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.79 1aps h LEU 65 CO 0.00 0.00 -0.51 0.77 -0.34 0.00 0.00 178.44 178.37 1aps h SER 66 N 0.00 -1.43 -2.18 1.25 4.64 -1.76 -3.37 113.55 110.71 1aps h SER 66 Ca 0.28 0.13 -0.59 0.00 -0.47 0.00 0.00 61.79 61.14 1aps h SER 66 Cb 1.40 0.49 -0.41 0.00 -0.31 0.00 0.00 62.40 63.57 1aps h SER 66 CO -0.00 -0.63 -0.77 0.29 -0.87 0.00 0.00 176.83 174.85 1aps n LYS 67 N -5.45 1.83 0.04 4.77 4.01 -0.63 -1.92 118.16 120.82 1aps n LYS 67 Ca -0.11 -4.15 0.19 0.00 -0.51 0.00 0.00 58.31 53.74 1aps n LYS 67 Cb 0.44 -1.90 0.71 0.00 -0.51 0.00 0.00 35.03 33.77 1aps n LYS 67 CO 0.00 0.00 0.00 -0.39 -1.11 0.00 0.00 177.40 175.90 1aps h VAL 68 N 2.89 0.68 0.00 -0.18 -1.51 -1.52 -3.47 116.25 113.13 1aps h VAL 68 Ca 0.16 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.63 1aps h VAL 68 Cb 0.74 0.75 0.00 0.00 -2.13 0.00 0.00 31.29 30.65 1aps h VAL 68 CO 0.69 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.64 1aps n GLY 69 N -1.60 1.43 0.75 5.19 0.00 -1.18 -4.59 105.19 105.20 1aps n GLY 69 Ca 0.08 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1aps n GLY 69 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1aps n SER 70 N 3.05 0.00 -4.47 1.61 2.88 -1.26 -4.14 113.62 111.29 1aps n SER 70 Ca 0.00 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 57.10 1aps n SER 70 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 1aps n SER 70 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1aps n PRO 71 N -1.80 0.26 -4.31 -1.46 -0.02 -1.26 -1.22 135.00 125.18 1aps n PRO 71 Ca 0.00 0.02 -0.34 0.00 -2.02 0.00 0.00 63.50 61.16 1aps n PRO 71 Cb 0.00 -1.89 -0.07 0.00 -0.02 0.00 0.00 33.50 31.52 1aps n PRO 71 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1aps n SER 72 N 10.86 -0.59 0.08 2.55 3.41 -1.26 -4.55 113.62 124.11 1aps n SER 72 Ca 0.58 -1.19 0.00 0.00 -0.26 0.00 0.00 58.87 57.99 1aps n SER 72 Cb 0.12 -1.99 0.00 0.00 -0.26 0.00 0.00 64.21 62.08 1aps n SER 72 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1aps n SER 73 N -2.76 -1.28 0.00 4.04 3.41 -0.36 -1.16 113.62 115.52 1aps n SER 73 Ca -0.15 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1aps n SER 73 Cb 0.60 1.44 0.00 0.00 -0.26 0.00 0.00 64.21 65.99 1aps n SER 73 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1aps n ARG 74 N -2.86 0.00 -1.19 4.33 1.74 -0.75 -1.15 116.66 116.78 1aps n ARG 74 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1aps n ARG 74 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1aps n ARG 74 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1aps n ILE 75 N 0.00 0.00 0.10 0.55 5.41 -1.26 -3.12 119.36 121.04 1aps n ILE 75 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.74 1aps n ILE 75 Cb 0.00 -0.87 0.27 0.00 -0.71 0.00 0.00 39.64 38.33 1aps n ILE 75 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 1aps h ASP 76 N 3.52 0.24 -0.88 4.38 3.04 -1.69 -3.39 116.42 121.63 1aps h ASP 76 Ca 0.00 -0.08 0.13 0.00 -3.24 0.00 0.00 57.03 53.83 1aps h ASP 76 Cb 0.00 -0.07 -0.21 0.00 -1.04 0.00 0.00 39.33 38.01 1aps h ASP 76 CO 0.00 0.57 -0.15 -0.60 -2.04 0.00 0.00 179.24 177.01 1aps s ARG 77 N -4.30 0.47 -0.63 4.15 3.52 -0.02 -4.90 118.95 117.25 1aps s ARG 77 Ca -0.05 0.86 -0.22 0.00 -0.13 0.00 0.00 55.73 56.19 1aps s ARG 77 Cb 0.14 0.48 0.07 0.00 -1.56 0.00 0.00 34.95 34.08 1aps s ARG 77 CO 0.76 -0.49 0.92 0.99 -0.81 0.00 0.00 175.30 176.67 1aps s THR 78 N 2.87 4.40 -0.62 4.11 2.01 -0.81 -0.69 115.64 126.92 1aps s THR 78 Ca 0.14 -0.33 -0.26 0.00 0.31 0.00 0.00 61.69 61.54 1aps s THR 78 Cb -0.14 -4.63 -0.03 0.00 0.01 0.00 0.00 72.50 67.72 1aps s THR 78 CO -0.18 -1.35 1.96 0.21 -0.69 0.00 0.00 174.62 174.57 1aps s ASN 79 N 3.51 5.11 -1.31 3.53 2.47 -0.56 -4.57 114.94 123.12 1aps s ASN 79 Ca 0.22 0.35 -0.18 0.00 0.42 0.00 0.00 52.86 53.67 1aps s ASN 79 Cb -0.17 -2.53 0.05 0.00 -1.45 0.00 0.00 41.25 37.16 1aps s ASN 79 CO 0.11 -2.51 1.81 0.49 -3.72 0.00 0.00 177.10 173.28 1aps n PHE 80 N 13.43 4.39 -0.01 0.43 3.72 -1.26 -0.98 117.46 137.19 1aps n PHE 80 Ca 0.25 -2.77 -0.00 0.00 -0.05 0.00 0.00 57.45 54.88 1aps n PHE 80 Cb 0.52 -2.62 -0.00 0.00 -0.94 0.00 0.00 39.48 36.44 1aps n PHE 80 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1aps n SER 81 N 8.47 0.15 -4.22 4.37 3.41 -1.25 -4.69 113.62 119.86 1aps n SER 81 Ca 0.49 0.21 -0.43 0.00 -0.26 0.00 0.00 58.87 58.89 1aps n SER 81 Cb 0.45 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 1aps n SER 81 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1aps n ASN 82 N -2.50 4.54 -4.49 4.04 4.13 -0.85 -4.88 115.26 115.25 1aps n ASN 82 Ca -0.01 -2.90 -0.44 0.00 1.68 0.00 0.00 54.58 52.92 1aps n ASN 82 Cb 0.03 -1.70 -0.01 0.00 -1.54 0.00 0.00 39.78 36.56 1aps n ASN 82 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1aps s GLU 83 N 3.58 3.91 -0.81 3.52 2.02 -1.26 -0.66 118.70 129.00 1aps s GLU 83 Ca 0.50 -2.18 -0.16 0.00 0.02 0.00 0.00 54.97 53.16 1aps s GLU 83 Cb 0.08 -5.12 0.18 0.00 0.10 0.00 0.00 34.13 29.37 1aps s GLU 83 CO 0.01 -1.88 0.83 0.15 0.02 0.00 0.00 175.26 174.39 1aps s LYS 84 N 2.52 3.50 -0.28 1.61 1.02 -0.00 -4.82 119.74 123.28 1aps s LYS 84 Ca 0.42 -2.12 -0.29 0.00 0.02 0.00 0.00 55.97 54.00 1aps s LYS 84 Cb -0.02 -4.52 -0.00 0.00 -0.52 0.00 0.00 37.83 32.77 1aps s LYS 84 CO -0.02 -1.44 1.36 0.95 -0.92 0.00 0.00 175.35 175.29 1aps s THR 85 N 1.14 4.06 0.11 2.17 -4.23 -1.26 -0.79 115.64 116.84 1aps s THR 85 Ca 0.20 1.20 0.10 0.00 -1.18 0.00 0.00 61.69 62.00 1aps s THR 85 Cb -0.12 -4.06 -0.04 0.00 1.34 0.00 0.00 72.50 69.62 1aps s THR 85 CO -0.07 -0.43 -0.25 0.27 -0.54 0.00 0.00 174.62 173.61 1aps s ILE 86 N 4.50 2.03 -0.67 2.99 -5.25 0.16 -4.37 121.20 120.58 1aps s ILE 86 Ca 0.59 -1.64 -0.26 0.00 -0.99 0.00 0.00 60.65 58.35 1aps s ILE 86 Cb -0.18 -1.81 0.04 0.00 2.95 0.00 0.00 42.46 43.45 1aps s ILE 86 CO 0.24 0.06 1.16 -0.94 -1.79 0.00 0.00 174.94 173.67 1aps s SER 87 N -1.93 6.23 0.00 4.36 1.04 -1.26 -1.47 113.70 120.68 1aps s SER 87 Ca 0.11 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.09 1aps s SER 87 Cb -0.10 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.50 1aps s SER 87 CO 0.05 -1.63 0.00 0.29 0.98 0.00 0.00 173.24 172.93 1aps n LYS 88 N 8.67 0.00 -3.97 4.02 4.76 -1.26 -5.00 118.16 125.37 1aps n LYS 88 Ca 0.02 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.12 1aps n LYS 88 Cb 0.48 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.58 1aps n LYS 88 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1aps s LEU 89 N -0.21 3.87 -0.00 -0.35 2.96 -1.26 -4.90 118.68 118.79 1aps s LEU 89 Ca 0.00 0.11 -0.00 0.00 -0.22 0.00 0.00 54.13 54.02 1aps s LEU 89 Cb 0.00 -1.98 -0.00 0.00 0.50 0.00 0.00 46.19 44.71 1aps s LEU 89 CO 0.00 0.18 -0.00 -0.62 -1.32 0.00 0.00 176.35 174.59 1aps n GLU 90 N 3.48 0.00 -2.25 1.98 4.71 -1.26 -5.00 120.64 122.30 1aps n GLU 90 Ca -0.17 0.00 -0.36 0.00 -0.01 0.00 0.00 57.16 56.62 1aps n GLU 90 Cb 0.52 -0.78 -0.04 0.00 -1.01 0.00 0.00 31.44 30.13 1aps n GLU 90 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 1aps s TYR 91 N -2.00 2.00 -0.24 -0.32 2.02 -1.26 -4.82 117.35 112.74 1aps s TYR 91 Ca -0.00 0.24 0.20 0.00 -0.37 0.00 0.00 57.07 57.14 1aps s TYR 91 Cb 0.00 -4.31 0.05 0.00 -0.40 0.00 0.00 41.96 37.30 1aps s TYR 91 CO 0.00 -2.03 1.18 0.66 -1.57 0.00 0.00 175.55 173.79 1aps h SER 92 N 11.85 0.00 -3.11 2.29 4.64 -1.77 -1.99 113.55 125.46 1aps h SER 92 Ca -0.07 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.75 1aps h SER 92 Cb 1.06 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.75 1aps h SER 92 CO 1.27 0.22 -0.76 0.54 -0.87 0.00 0.00 176.83 177.23 1aps s ASN 93 N -5.83 2.77 0.06 4.97 2.20 -0.12 -1.33 114.94 117.66 1aps s ASN 93 Ca 0.01 -0.81 -0.31 0.00 -0.94 0.00 0.00 52.86 50.81 1aps s ASN 93 Cb 0.08 -0.42 -0.08 0.00 -2.00 0.00 0.00 41.25 38.83 1aps s ASN 93 CO 0.76 -0.35 1.56 0.12 -2.94 0.00 0.00 177.10 176.26 1aps s PHE 94 N 2.00 2.64 -0.23 1.54 5.36 -1.10 -3.74 117.98 124.46 1aps s PHE 94 Ca 0.02 0.52 -0.03 0.00 -0.96 0.00 0.00 56.93 56.48 1aps s PHE 94 Cb -0.16 -3.86 0.12 0.00 -0.34 0.00 0.00 43.02 38.78 1aps s PHE 94 CO -0.12 -3.34 0.35 0.45 -1.46 0.00 0.00 175.22 171.09 1aps s SER 95 N 2.08 0.42 0.17 6.13 0.15 0.50 -4.74 113.70 118.41 1aps s SER 95 Ca 0.70 0.22 0.00 0.00 0.70 0.00 0.00 55.95 57.57 1aps s SER 95 Cb -0.38 0.98 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 1aps s SER 95 CO 0.30 -0.30 0.00 1.33 1.20 0.00 0.00 173.24 175.78 1aps n VAL 96 N 5.36 0.00 -4.30 4.45 0.24 -1.26 -4.22 118.33 118.59 1aps n VAL 96 Ca -0.04 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.90 1aps n VAL 96 Cb 0.50 -0.19 -0.09 0.00 -1.47 0.00 0.00 33.84 32.59 1aps n VAL 96 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1aps s ARG 97 N -1.36 3.09 0.00 7.34 0.52 -1.26 -1.99 118.95 125.30 1aps s ARG 97 Ca 0.00 -0.37 0.00 0.00 -0.52 0.00 0.00 55.73 54.84 1aps s ARG 97 Cb 0.00 -2.86 0.00 0.00 0.52 0.00 0.00 34.95 32.61 1aps s ARG 97 CO 0.00 0.69 0.36 0.66 0.02 0.00 0.00 175.30 177.03