#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pac n ASP 2 N 0.00 0.00 0.09 4.31 5.68 -1.26 -5.03 116.55 120.35 2pac n ASP 2 Ca 0.00 0.00 0.01 0.00 -0.50 0.00 0.00 54.79 54.30 2pac n ASP 2 Cb 0.00 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 39.96 2pac n ASP 2 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 2pac h PRO 3 N 0.00 0.00 0.00 0.11 0.13 -1.98 -2.17 132.00 128.09 2pac h PRO 3 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 2pac h PRO 3 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 2pac h PRO 3 CO 0.00 0.42 -0.20 0.93 -0.23 0.00 0.00 178.00 178.92 2pac h GLU 4 N 0.00 0.00 0.11 0.86 5.08 -1.96 -0.35 114.58 118.32 2pac h GLU 4 Ca -0.07 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.98 2pac h GLU 4 Cb 1.46 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.70 2pac h GLU 4 CO 0.06 0.09 -1.62 0.28 -1.00 0.00 0.00 179.01 176.82 2pac h VAL 5 N 0.00 1.04 -0.14 3.13 2.07 -1.94 -2.88 116.25 117.52 2pac h VAL 5 Ca -0.00 -2.71 -0.21 0.00 0.82 0.00 0.00 66.70 64.59 2pac h VAL 5 Cb 1.08 2.69 0.01 0.00 -1.52 0.00 0.00 31.29 33.55 2pac h VAL 5 CO 0.01 0.80 -0.75 0.25 0.02 0.00 0.00 177.57 177.90 2pac h LEU 6 N 0.06 0.82 -0.62 2.57 5.85 -1.39 -1.19 115.31 121.42 2pac h LEU 6 Ca -0.28 -0.54 0.00 0.00 0.84 0.00 0.00 57.88 57.91 2pac h LEU 6 Cb 2.02 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.81 2pac h LEU 6 CO 0.15 1.32 0.00 0.33 -0.34 0.00 0.00 178.44 179.89 2pac n PHE 7 N -3.91 0.85 -0.36 1.25 -0.00 -0.14 -2.50 117.46 112.64 2pac n PHE 7 Ca -0.06 0.32 0.05 0.00 -0.00 0.00 0.00 57.45 57.75 2pac n PHE 7 Cb 0.73 -1.02 0.11 0.00 -0.00 0.00 0.00 39.48 39.31 2pac n PHE 7 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 2pac n LYS 8 N -2.26 2.71 -1.17 -4.13 4.81 -1.05 -1.60 118.16 115.46 2pac n LYS 8 Ca 0.03 -2.04 -0.27 0.00 -0.87 0.00 0.00 58.31 55.15 2pac n LYS 8 Cb 0.26 -1.29 0.06 0.00 0.02 0.00 0.00 35.03 34.08 2pac n LYS 8 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2pac n ASN 9 N -0.27 7.14 -2.87 3.14 5.03 -0.47 -4.81 115.26 122.14 2pac n ASN 9 Ca 0.09 -3.46 -0.01 0.00 0.87 0.00 0.00 54.58 52.07 2pac n ASN 9 Cb 0.46 -1.02 0.01 0.00 -1.02 0.00 0.00 39.78 38.20 2pac n ASN 9 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 2pac n LYS 10 N -0.31 -1.22 0.00 3.52 4.81 -1.26 -5.01 118.16 118.70 2pac n LYS 10 Ca 0.48 1.31 0.00 0.00 -0.87 0.00 0.00 58.31 59.23 2pac n LYS 10 Cb 0.61 -5.21 0.00 0.00 0.02 0.00 0.00 35.03 30.45 2pac n LYS 10 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2pac n GLY 11 N -1.63 -0.28 0.00 3.14 0.00 -1.26 -4.98 105.19 100.18 2pac n GLY 11 Ca -0.01 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.62 2pac n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pac n VAL 13 N 0.00 0.52 -0.38 0.00 3.14 -0.63 -2.27 118.33 118.71 2pac n VAL 13 Ca 0.00 0.13 0.38 0.00 -2.96 0.00 0.00 64.34 61.89 2pac n VAL 13 Cb 0.00 -0.85 0.76 0.00 -1.06 0.00 0.00 33.84 32.68 2pac n VAL 13 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2pac h ALA 14 N 2.78 3.21 0.00 1.55 0.00 -1.87 -3.25 119.26 121.68 2pac h ALA 14 Ca 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 2pac h ALA 14 Cb 0.16 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.96 2pac h ALA 14 CO 0.00 -1.59 -0.17 0.00 0.00 0.00 0.00 179.25 177.50 2pac n HIS 16 N -0.72 0.00 0.00 0.00 8.25 -0.96 -1.74 115.22 120.05 2pac n HIS 16 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 2pac n HIS 16 Cb 0.68 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.79 2pac n HIS 16 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2pac n ALA 17 N -3.00 0.00 -0.05 -1.41 0.00 -1.26 -4.51 120.51 110.28 2pac n ALA 17 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2pac n ALA 17 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 2pac n ALA 17 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2pac n ILE 18 N 1.64 0.69 -2.24 0.00 -6.64 -1.26 -2.60 119.36 108.95 2pac n ILE 18 Ca 0.00 -0.68 0.04 0.00 -1.77 0.00 0.00 62.75 60.34 2pac n ILE 18 Cb 0.00 -0.24 0.05 0.00 -1.44 0.00 0.00 39.64 38.01 2pac n ILE 18 CO 0.00 0.00 0.00 -0.67 -1.77 0.00 0.00 176.55 174.11 2pac n ASP 19 N -2.51 0.98 -3.92 7.28 2.03 -1.26 -1.01 116.55 118.14 2pac n ASP 19 Ca -0.18 -2.30 -0.08 0.00 0.52 0.00 0.00 54.79 52.75 2pac n ASP 19 Cb 0.86 -0.32 -0.08 0.00 -0.72 0.00 0.00 41.12 40.86 2pac n ASP 19 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2pac s THR 20 N -0.55 0.16 0.35 5.18 2.01 -1.26 -5.08 115.64 116.45 2pac s THR 20 Ca 0.29 -1.34 0.08 0.00 0.31 0.00 0.00 61.69 61.03 2pac s THR 20 Cb 0.32 -1.36 -0.05 0.00 0.01 0.00 0.00 72.50 71.42 2pac s THR 20 CO -0.12 -0.74 0.12 -0.54 -0.69 0.00 0.00 174.62 172.65 2pac s LYS 21 N -3.80 2.30 0.00 4.92 1.02 -1.26 -4.18 119.74 118.74 2pac s LYS 21 Ca 0.05 -1.62 0.00 0.00 0.02 0.00 0.00 55.97 54.42 2pac s LYS 21 Cb 0.05 -2.11 0.00 0.00 -0.52 0.00 0.00 37.83 35.26 2pac s LYS 21 CO -0.10 0.09 0.00 -1.33 -0.92 0.00 0.00 175.35 173.09 2pac n MET 22 N -1.12 0.00 -0.04 1.68 2.81 -1.26 -5.00 117.12 114.19 2pac n MET 22 Ca -0.03 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.81 2pac n MET 22 Cb 0.62 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 33.08 2pac n MET 22 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2pac n VAL 23 N -0.09 0.51 -4.01 2.03 0.31 -1.23 -5.06 118.33 110.78 2pac n VAL 23 Ca 0.00 -0.23 -0.25 0.00 -0.01 0.00 0.00 64.34 63.84 2pac n VAL 23 Cb 0.00 -0.82 -0.04 0.00 -0.91 0.00 0.00 33.84 32.07 2pac n VAL 23 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2pac s GLY 24 N -4.56 2.38 0.45 2.92 0.00 -0.71 -5.00 107.32 102.79 2pac s GLY 24 Ca -0.10 -1.65 -0.23 0.00 0.00 0.00 0.00 44.72 42.75 2pac s GLY 24 CO 0.24 -1.91 1.11 2.56 0.00 0.00 0.00 173.10 175.10 2pac s PRO 25 N -4.06 3.88 0.29 2.90 0.04 -1.26 -4.81 135.00 131.98 2pac s PRO 25 Ca 0.37 1.64 -0.28 0.00 0.04 0.00 0.00 61.00 62.77 2pac s PRO 25 Cb 0.01 -2.41 -0.09 0.00 0.04 0.00 0.00 34.50 32.05 2pac s PRO 25 CO 0.21 -0.42 0.97 0.00 0.04 0.00 0.00 177.00 177.81 2pac s ALA 26 N -1.63 3.28 0.01 8.56 0.00 -1.26 -4.66 121.76 126.05 2pac s ALA 26 Ca 0.62 0.63 0.32 0.00 0.00 0.00 0.00 51.96 53.53 2pac s ALA 26 Cb -0.25 -3.22 1.40 0.00 0.00 0.00 0.00 23.12 21.05 2pac s ALA 26 CO 0.31 0.11 1.95 1.88 0.00 0.00 0.00 175.76 180.00 2pac h TYR 27 N 3.59 0.00 0.00 0.00 -1.99 -1.47 -1.07 116.97 116.02 2pac h TYR 27 Ca -0.46 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.21 2pac h TYR 27 Cb 1.20 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.92 2pac h TYR 27 CO 0.61 0.00 -0.83 -0.22 -0.00 0.00 0.00 178.16 177.71 2pac h LYS 28 N 0.00 0.00 0.21 4.88 3.64 -1.37 -2.28 116.57 121.65 2pac h LYS 28 Ca 0.00 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.06 2pac h LYS 28 Cb 0.38 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.23 2pac h LYS 28 CO 0.00 0.14 -1.48 -0.44 -2.27 0.00 0.00 179.45 175.39 2pac h ASP 29 N 0.00 0.69 -0.08 4.20 3.32 -1.61 -1.44 116.42 121.50 2pac h ASP 29 Ca -0.04 -0.93 -0.05 0.00 0.02 0.00 0.00 57.03 56.03 2pac h ASP 29 Cb 1.19 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 2pac h ASP 29 CO 0.02 1.69 -0.09 0.58 -1.72 0.00 0.00 179.24 179.73 2pac h VAL 30 N 0.03 1.19 -0.06 -1.35 2.07 -1.31 0.54 116.25 117.36 2pac h VAL 30 Ca -0.28 -0.81 -0.13 0.00 0.82 0.00 0.00 66.70 66.30 2pac h VAL 30 Cb 2.05 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.92 2pac h VAL 30 CO 0.21 0.26 -0.56 0.00 0.02 0.00 0.00 177.57 177.50 2pac h ALA 31 N 1.57 0.94 -0.37 1.67 0.00 -1.41 -0.77 119.26 120.90 2pac h ALA 31 Ca 0.07 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2pac h ALA 31 Cb 0.37 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2pac h ALA 31 CO 0.02 0.70 0.00 0.00 0.00 0.00 0.00 179.25 179.97 2pac n ALA 32 N -2.46 2.98 -1.11 0.00 0.00 -0.01 -2.92 120.51 117.00 2pac n ALA 32 Ca -0.02 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.45 2pac n ALA 32 Cb 0.58 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.00 2pac n ALA 32 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2pac n LYS 33 N 0.50 0.00 0.20 0.00 3.00 -0.13 -4.87 118.16 116.86 2pac n LYS 33 Ca 0.15 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.51 2pac n LYS 33 Cb 0.63 0.00 0.43 0.00 0.00 0.00 0.00 35.03 36.09 2pac n LYS 33 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.40 178.14 2pac h PHE 34 N 0.00 0.00 -0.36 5.64 0.04 -1.39 -3.48 116.94 117.39 2pac h PHE 34 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2pac h PHE 34 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 2pac h PHE 34 CO 0.00 0.31 0.00 0.00 -0.60 0.00 0.00 178.31 178.02 2pac n ALA 35 N -2.44 0.00 -1.13 2.45 0.00 -0.98 -2.16 120.51 116.25 2pac n ALA 35 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.22 2pac n ALA 35 Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.80 2pac n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pac n GLY 36 N 0.00 4.13 0.38 0.00 0.00 -1.26 -4.55 105.19 103.89 2pac n GLY 36 Ca 0.00 -1.40 0.18 0.00 0.00 0.00 0.00 46.02 44.80 2pac n GLY 36 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2pac h GLN 37 N 2.13 0.14 -6.33 1.61 1.08 -1.77 -3.46 115.11 108.51 2pac h GLN 37 Ca 0.32 -0.01 -0.47 0.00 -1.45 0.00 0.00 58.65 57.05 2pac h GLN 37 Cb 0.87 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.26 2pac h GLN 37 CO 0.77 0.09 -0.86 0.00 -0.95 0.00 0.00 178.83 177.88 2pac n ALA 38 N -2.60 -2.01 -2.07 3.87 0.00 -1.26 -4.85 120.51 111.59 2pac n ALA 38 Ca 0.11 -0.23 -0.00 0.00 0.00 0.00 0.00 53.44 53.31 2pac n ALA 38 Cb 0.55 -1.65 -0.01 0.00 0.00 0.00 0.00 19.45 18.34 2pac n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pac n GLY 39 N -1.82 0.75 2.74 0.00 0.00 -1.26 -4.98 105.19 100.62 2pac n GLY 39 Ca -0.31 -0.12 -0.05 0.00 0.00 0.00 0.00 46.02 45.54 2pac n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pac n ALA 40 N 0.07 -2.03 0.00 4.61 0.00 -1.26 -4.99 120.51 116.91 2pac n ALA 40 Ca -0.03 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.42 2pac n ALA 40 Cb 0.69 -1.73 0.00 0.00 0.00 0.00 0.00 19.45 18.41 2pac n ALA 40 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2pac n GLU 41 N 2.38 2.21 0.06 0.00 1.02 -1.26 -4.49 120.64 120.56 2pac n GLU 41 Ca 0.13 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.24 2pac n GLU 41 Cb 0.60 -0.76 -0.01 0.00 -0.02 0.00 0.00 31.44 31.24 2pac n GLU 41 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2pac h ALA 42 N 0.00 -0.33 0.00 0.62 0.00 -1.97 -1.78 119.26 115.81 2pac h ALA 42 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2pac h ALA 42 Cb 0.46 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2pac h ALA 42 CO 0.00 -0.32 0.00 -0.85 0.00 0.00 0.00 179.25 178.08 2pac n GLU 43 N -3.56 0.84 0.04 0.00 0.28 -1.26 -1.81 120.64 115.18 2pac n GLU 43 Ca -0.02 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.84 2pac n GLU 43 Cb 0.08 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.31 2pac n GLU 43 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2pac h LEU 44 N 0.00 0.26 -0.80 -1.84 6.46 -1.78 -3.04 115.31 114.56 2pac h LEU 44 Ca 0.00 -0.38 -0.07 0.00 -0.12 0.00 0.00 57.88 57.31 2pac h LEU 44 Cb 0.01 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 39.84 2pac h LEU 44 CO 0.00 1.32 -0.34 0.00 -0.62 0.00 0.00 178.44 178.80 2pac h ALA 45 N 0.65 0.94 0.00 1.25 0.00 -0.52 -2.56 119.26 119.02 2pac h ALA 45 Ca -0.22 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 2pac h ALA 45 Cb 1.98 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.71 2pac h ALA 45 CO 0.14 0.42 -0.14 0.37 0.00 0.00 0.00 179.25 180.04 2pac h GLN 46 N 0.00 0.00 0.02 0.00 4.15 -1.48 -2.80 115.11 115.00 2pac h GLN 46 Ca -0.00 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.20 2pac h GLN 46 Cb 0.94 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.62 2pac h GLN 46 CO 0.04 0.14 -0.95 0.00 -1.93 0.00 0.00 178.83 176.14 2pac h ARG 47 N 0.00 0.20 0.00 1.69 -0.00 -1.34 0.52 114.38 115.44 2pac h ARG 47 Ca -0.00 -0.24 -0.01 0.00 -0.50 0.00 0.00 59.98 59.22 2pac h ARG 47 Cb 0.93 0.08 -0.00 0.00 0.00 0.00 0.00 29.97 30.98 2pac h ARG 47 CO 0.02 1.01 -0.07 0.82 0.00 0.00 0.00 179.97 181.75 2pac h ILE 48 N 0.10 0.48 0.00 2.04 2.04 -1.32 0.48 117.51 121.33 2pac h ILE 48 Ca -0.06 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.48 2pac h ILE 48 Cb 1.61 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.91 2pac h ILE 48 CO 0.15 0.07 0.00 2.29 0.00 0.00 0.00 178.15 180.65 2pac n LYS 49 N -3.64 0.99 0.00 2.37 2.85 -1.09 -3.59 118.16 116.05 2pac n LYS 49 Ca -0.02 -1.00 0.00 0.00 -1.05 0.00 0.00 58.31 56.24 2pac n LYS 49 Cb 0.18 -1.00 0.00 0.00 -0.65 0.00 0.00 35.03 33.56 2pac n LYS 49 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2pac n ASN 50 N -0.25 0.05 -0.33 -5.58 2.85 0.18 -4.14 115.26 108.04 2pac n ASN 50 Ca 0.00 -1.02 0.00 0.00 -0.11 0.00 0.00 54.58 53.45 2pac n ASN 50 Cb 0.12 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.14 2pac n ASN 50 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2pac n GLY 51 N -0.01 -3.14 0.22 8.20 0.00 0.17 -4.74 105.19 105.88 2pac n GLY 51 Ca 0.00 -1.17 0.13 0.00 0.00 0.00 0.00 46.02 44.98 2pac n GLY 51 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2pac h SER 52 N 0.13 0.00 -0.24 1.61 4.64 -1.76 -3.42 113.55 114.51 2pac h SER 52 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 2pac h SER 52 Cb 0.14 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.19 2pac h SER 52 CO 0.00 0.00 -0.09 1.67 -0.87 0.00 0.00 176.83 177.54 2pac n GLN 53 N -3.05 -0.41 -0.59 4.77 -0.06 -1.26 -4.47 117.38 112.32 2pac n GLN 53 Ca 0.04 0.64 0.00 0.00 -2.00 0.00 0.00 57.00 55.67 2pac n GLN 53 Cb 0.50 -4.34 0.00 0.00 -4.06 0.00 0.00 30.24 22.34 2pac n GLN 53 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2pac n GLY 54 N -2.26 -1.22 0.14 1.69 0.00 -1.26 -4.88 105.19 97.40 2pac n GLY 54 Ca -0.05 -0.56 -0.11 0.00 0.00 0.00 0.00 46.02 45.29 2pac n GLY 54 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2pac n VAL 55 N 0.09 0.86 -1.31 1.61 0.31 -1.26 -4.54 118.33 114.08 2pac n VAL 55 Ca 0.00 -0.31 -0.06 0.00 -0.01 0.00 0.00 64.34 63.96 2pac n VAL 55 Cb 0.00 -1.13 0.21 0.00 -0.91 0.00 0.00 33.84 32.01 2pac n VAL 55 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 2pac n TRP 56 N -3.05 1.51 0.00 3.52 7.02 -1.26 -5.05 117.44 120.13 2pac n TRP 56 Ca -0.27 -1.50 0.00 0.00 -1.02 0.00 0.00 57.50 54.71 2pac n TRP 56 Cb 0.77 -0.56 0.00 0.00 -2.42 0.00 0.00 31.31 29.11 2pac n TRP 56 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2pac n GLY 57 N -0.96 0.63 0.00 6.99 0.00 -1.26 -5.09 105.19 105.50 2pac n GLY 57 Ca 0.36 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.42 2pac n GLY 57 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2pac n PRO 58 N 0.00 1.09 -3.23 1.61 -0.04 -1.26 -4.09 135.00 129.08 2pac n PRO 58 Ca 0.00 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.29 2pac n PRO 58 Cb 0.00 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.48 2pac n PRO 58 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 2pac n ILE 59 N -0.10 -4.94 -1.78 0.52 0.00 -1.26 -4.70 119.36 107.11 2pac n ILE 59 Ca 0.00 0.53 -0.34 0.00 0.00 0.00 0.00 62.75 62.94 2pac n ILE 59 Cb 0.00 -4.15 0.05 0.00 0.00 0.00 0.00 39.64 35.54 2pac n ILE 59 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2pac s PRO 60 N -1.84 2.70 -0.16 9.51 0.04 -1.26 -4.77 135.00 139.23 2pac s PRO 60 Ca 0.18 1.63 -0.29 0.00 0.04 0.00 0.00 61.00 62.57 2pac s PRO 60 Cb -0.02 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 2pac s PRO 60 CO 0.53 -1.37 1.98 1.41 0.04 0.00 0.00 177.00 179.59 2pac s MET 61 N -3.76 3.58 -0.29 4.56 -2.45 -1.26 -4.87 119.30 114.81 2pac s MET 61 Ca 0.72 2.07 -0.33 0.00 -1.25 0.00 0.00 55.69 56.90 2pac s MET 61 Cb -0.26 -4.23 -0.09 0.00 1.25 0.00 0.00 34.83 31.50 2pac s MET 61 CO 0.39 -1.59 2.17 -2.30 1.05 0.00 0.00 175.02 174.74 2pac n PRO 62 N 8.15 1.44 -1.47 4.11 -0.02 -1.26 -3.06 135.00 142.89 2pac n PRO 62 Ca 0.24 0.41 -0.44 0.00 -2.02 0.00 0.00 63.50 61.69 2pac n PRO 62 Cb 0.44 -2.72 -0.12 0.00 -0.02 0.00 0.00 33.50 31.08 2pac n PRO 62 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2pac n PRO 63 N 8.23 0.25 0.00 0.52 -0.02 -1.26 -4.76 135.00 137.96 2pac n PRO 63 Ca 0.36 0.02 -0.06 0.00 -2.02 0.00 0.00 63.50 61.80 2pac n PRO 63 Cb 0.30 -1.89 0.12 0.00 -0.02 0.00 0.00 33.50 32.02 2pac n PRO 63 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 2pac h ASN 64 N 12.81 0.55 -4.71 2.55 -0.73 -1.77 -3.47 115.58 120.81 2pac h ASN 64 Ca -0.11 -0.24 0.00 0.00 1.87 0.00 0.00 56.30 57.83 2pac h ASN 64 Cb 1.32 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 39.76 2pac h ASN 64 CO 1.28 0.89 -0.40 0.00 -0.37 0.00 0.00 177.43 178.83 2pac n ALA 65 N -2.50 -3.04 0.35 1.57 0.00 -1.26 -4.97 120.51 110.67 2pac n ALA 65 Ca -0.01 0.87 0.09 0.00 0.00 0.00 0.00 53.44 54.38 2pac n ALA 65 Cb 0.50 -2.75 -0.13 0.00 0.00 0.00 0.00 19.45 17.08 2pac n ALA 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2pac n VAL 66 N -0.29 0.00 0.00 0.00 0.31 -1.26 -5.09 118.33 112.00 2pac n VAL 66 Ca 0.08 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2pac n VAL 66 Cb 0.33 0.47 0.00 0.00 -0.91 0.00 0.00 33.84 33.73 2pac n VAL 66 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2pac n SER 67 N -1.84 0.00 -4.77 4.52 2.88 -1.26 -4.50 113.62 108.66 2pac n SER 67 Ca -0.00 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.14 2pac n SER 67 Cb 0.39 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.83 2pac n SER 67 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2pac s ASP 68 N -3.51 6.83 0.00 -3.46 1.01 -1.26 -1.97 116.67 114.30 2pac s ASP 68 Ca 0.00 2.45 0.00 0.00 0.71 0.00 0.00 52.55 55.71 2pac s ASP 68 Cb 0.00 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.30 2pac s ASP 68 CO 0.00 -0.47 0.00 -0.67 0.21 0.00 0.00 175.17 174.24 2pac n ASP 69 N 0.66 0.00 0.08 0.27 2.03 -1.26 -4.64 116.55 113.69 2pac n ASP 69 Ca 0.01 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.22 2pac n ASP 69 Cb 0.44 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.74 2pac n ASP 69 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2pac h GLU 70 N 0.00 0.12 0.03 -0.67 5.08 -1.76 -2.87 114.58 114.51 2pac h GLU 70 Ca 0.00 -0.19 -0.29 0.00 -1.00 0.00 0.00 59.36 57.88 2pac h GLU 70 Cb 0.00 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 2pac h GLU 70 CO 0.00 1.05 -1.59 0.00 -1.00 0.00 0.00 179.01 177.47 2pac h ALA 71 N 0.87 0.60 -0.61 3.43 0.00 -1.63 -3.29 119.26 118.63 2pac h ALA 71 Ca -0.06 -1.32 0.06 0.00 0.00 0.00 0.00 54.91 53.60 2pac h ALA 71 Cb 1.77 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 19.89 2pac h ALA 71 CO 0.15 1.45 0.41 0.37 0.00 0.00 0.00 179.25 181.63 2pac h GLN 72 N 0.02 0.57 -0.07 0.00 5.75 -1.80 0.28 115.11 119.87 2pac h GLN 72 Ca -0.24 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.19 2pac h GLN 72 Cb 1.97 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 30.39 2pac h GLN 72 CO 0.10 0.38 -0.09 1.15 -2.65 0.00 0.00 178.83 177.72 2pac h THR 73 N 0.59 1.38 0.00 2.39 2.02 -1.60 -2.69 112.91 115.01 2pac h THR 73 Ca 0.27 -1.28 0.00 0.00 0.77 0.00 0.00 66.41 66.17 2pac h THR 73 Cb 0.29 2.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 2pac h THR 73 CO -0.08 0.36 0.00 0.18 0.37 0.00 0.00 175.52 176.35 2pac n LEU 74 N -4.68 0.00 -0.08 2.58 4.77 -0.78 -3.02 117.00 115.78 2pac n LEU 74 Ca -0.07 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.85 2pac n LEU 74 Cb 0.32 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.25 2pac n LEU 74 CO 0.37 0.00 -1.08 0.00 -1.33 0.00 0.00 177.39 175.34 2pac n ALA 75 N -0.85 1.74 0.47 -1.18 0.00 0.93 -3.44 120.51 118.18 2pac n ALA 75 Ca 0.16 -1.18 0.12 0.00 0.00 0.00 0.00 53.44 52.54 2pac n ALA 75 Cb 0.07 -0.28 0.21 0.00 0.00 0.00 0.00 19.45 19.45 2pac n ALA 75 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2pac h LYS 76 N 0.00 0.00 0.15 0.00 2.10 -1.39 -1.24 116.57 116.19 2pac h LYS 76 Ca -0.45 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 57.86 2pac h LYS 76 Cb 2.01 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 33.34 2pac h LYS 76 CO 0.02 0.00 -1.77 2.35 -2.00 0.00 0.00 179.45 178.05 2pac h TRP 77 N 0.00 0.59 0.36 0.07 7.01 -1.66 0.18 115.95 122.50 2pac h TRP 77 Ca 0.00 -0.43 -0.02 0.00 2.11 0.00 0.00 58.89 60.55 2pac h TRP 77 Cb 0.82 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.86 2pac h TRP 77 CO 0.00 1.63 -0.17 0.28 -2.79 0.00 0.00 178.44 177.39 2pac h VAL 78 N 0.09 0.66 0.03 2.65 2.07 -1.59 -3.31 116.25 116.84 2pac h VAL 78 Ca -0.34 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 2pac h VAL 78 Cb 2.07 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 2pac h VAL 78 CO 0.15 0.07 -0.01 0.25 0.02 0.00 0.00 177.57 178.04 2pac h LEU 79 N -0.67 -0.03 -8.78 2.57 7.12 -1.34 -3.41 115.31 110.77 2pac h LEU 79 Ca -0.05 0.00 -0.60 0.00 0.13 0.00 0.00 57.88 57.36 2pac h LEU 79 Cb 0.47 0.01 -0.10 0.00 -0.53 0.00 0.00 40.66 40.51 2pac h LEU 79 CO 0.08 -0.02 0.51 -0.55 -0.13 0.00 0.00 178.44 178.33 2pac s SER 80 N -2.19 6.59 0.28 1.25 0.15 0.64 -4.48 113.70 115.95 2pac s SER 80 Ca -0.01 0.38 0.02 0.00 0.70 0.00 0.00 55.95 57.05 2pac s SER 80 Cb 0.00 -2.44 0.64 0.00 -1.71 0.00 0.00 66.02 62.52 2pac s SER 80 CO 0.02 -0.86 1.76 0.06 1.20 0.00 0.00 173.24 175.42 2pac h GLN 81 N 8.62 0.65 0.00 5.44 3.07 -1.78 -3.33 115.11 127.78 2pac h GLN 81 Ca -0.24 -0.04 0.00 0.00 0.09 0.00 0.00 58.65 58.46 2pac h GLN 81 Cb 1.08 -0.15 0.00 0.00 0.08 0.00 0.00 27.48 28.50 2pac h GLN 81 CO 0.97 0.43 0.00 0.36 0.09 0.00 0.00 178.83 180.68