#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pac s ASP 2 N 0.00 1.83 0.22 1.62 1.11 -1.26 -5.03 116.67 115.16 2pac s ASP 2 Ca 0.00 -0.48 0.26 0.00 0.18 0.00 0.00 52.55 52.50 2pac s ASP 2 Cb 0.00 -0.12 0.86 0.00 1.07 0.00 0.00 42.92 44.73 2pac s ASP 2 CO 0.00 0.05 1.76 -0.81 1.18 0.00 0.00 175.17 177.35 2pac n PRO 3 N 1.85 0.24 0.08 8.23 -0.04 -1.26 -1.86 135.00 142.24 2pac n PRO 3 Ca -0.18 0.27 -0.04 0.00 -0.04 0.00 0.00 63.50 63.51 2pac n PRO 3 Cb 0.54 -1.82 -0.07 0.00 -0.04 0.00 0.00 33.50 32.11 2pac n PRO 3 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2pac h GLU 4 N 0.00 0.00 0.00 0.54 4.11 -1.97 0.31 114.58 117.57 2pac h GLU 4 Ca 0.00 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.21 2pac h GLU 4 Cb 0.64 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 2pac h GLU 4 CO 0.00 0.78 -1.18 0.28 0.07 0.00 0.00 179.01 178.96 2pac h VAL 5 N 0.00 1.29 0.00 -1.06 2.07 -1.94 -3.12 116.25 113.50 2pac h VAL 5 Ca -0.03 -2.99 -0.17 0.00 0.82 0.00 0.00 66.70 64.33 2pac h VAL 5 Cb 1.64 2.62 -0.03 0.00 -1.52 0.00 0.00 31.29 34.01 2pac h VAL 5 CO 0.10 0.74 -0.91 -0.07 0.02 0.00 0.00 177.57 177.45 2pac h LEU 6 N 0.00 0.00 -1.37 2.57 3.38 -1.33 -2.48 115.31 116.08 2pac h LEU 6 Ca -0.10 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 2pac h LEU 6 Cb 1.79 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.53 2pac h LEU 6 CO 0.10 0.77 -0.17 0.15 0.09 0.00 0.00 178.44 179.39 2pac h PHE 7 N 0.00 0.00 -0.05 1.13 3.57 -0.40 -2.59 116.94 118.60 2pac h PHE 7 Ca -0.05 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.45 2pac h PHE 7 Cb 1.63 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.37 2pac h PHE 7 CO 0.00 0.17 0.00 0.36 -2.23 0.00 0.00 178.31 176.61 2pac n LYS 8 N -3.39 1.55 0.00 1.11 2.85 -1.18 -3.11 118.16 115.98 2pac n LYS 8 Ca -0.00 -1.61 0.11 0.00 -1.05 0.00 0.00 58.31 55.76 2pac n LYS 8 Cb 0.36 -1.35 0.12 0.00 -0.65 0.00 0.00 35.03 33.51 2pac n LYS 8 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 2pac n ASN 9 N 1.02 0.89 0.00 -5.58 6.94 -0.94 -4.76 115.26 112.83 2pac n ASN 9 Ca 0.11 -0.72 0.00 0.00 -0.02 0.00 0.00 54.58 53.95 2pac n ASN 9 Cb 0.45 0.51 0.00 0.00 -2.36 0.00 0.00 39.78 38.38 2pac n ASN 9 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 2pac n LYS 10 N -1.23 0.00 -0.60 -3.83 3.00 -1.22 -5.06 118.16 109.22 2pac n LYS 10 Ca 0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.35 2pac n LYS 10 Cb 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.35 2pac n LYS 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2pac n GLY 11 N 4.03 0.17 0.06 3.14 0.00 -1.26 -4.99 105.19 106.35 2pac n GLY 11 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -4.94 0.87 -0.04 0.00 3.14 -1.24 -1.76 118.33 114.36 2pac n VAL 13 Ca -0.08 0.22 0.23 0.00 -2.96 0.00 0.00 64.34 61.75 2pac n VAL 13 Cb 0.19 -1.16 0.72 0.00 -1.06 0.00 0.00 33.84 32.53 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 2.18 2.52 0.00 1.55 0.00 -1.86 -3.30 119.26 120.35 2pac h ALA 14 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2pac h ALA 14 Cb 0.03 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2pac h ALA 14 CO 0.00 -0.82 -0.01 0.00 0.00 0.00 0.00 179.25 178.42 2pac n HIS 16 N 0.00 0.00 -0.78 0.00 -0.00 -0.72 -2.12 115.22 111.60 2pac n HIS 16 Ca -0.01 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.73 2pac n HIS 16 Cb 0.43 -0.05 -0.01 0.00 -0.00 0.00 0.00 29.99 30.36 2pac n HIS 16 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2pac n ALA 17 N -2.69 -1.35 -1.22 -1.41 0.00 -1.26 -4.21 120.51 108.36 2pac n ALA 17 Ca -0.01 0.28 -0.27 0.00 0.00 0.00 0.00 53.44 53.44 2pac n ALA 17 Cb 0.05 -0.96 0.14 0.00 0.00 0.00 0.00 19.45 18.68 2pac n ALA 17 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2pac n ILE 18 N -2.25 3.31 0.00 0.00 2.08 -1.26 -2.53 119.36 118.71 2pac n ILE 18 Ca -0.01 -2.24 0.00 0.00 0.56 0.00 0.00 62.75 61.06 2pac n ILE 18 Cb 0.26 -0.75 0.00 0.00 -0.75 0.00 0.00 39.64 38.41 2pac n ILE 18 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 2pac n ASP 19 N -1.00 0.00 -4.07 4.38 5.68 -1.26 -4.30 116.55 115.98 2pac n ASP 19 Ca 0.59 0.00 -0.09 0.00 -0.50 0.00 0.00 54.79 54.79 2pac n ASP 19 Cb 1.27 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 41.16 2pac n ASP 19 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2pac s THR 20 N 0.00 0.12 0.10 2.12 -4.23 -1.26 -5.01 115.64 107.49 2pac s THR 20 Ca 0.00 -1.71 0.07 0.00 -1.18 0.00 0.00 61.69 58.87 2pac s THR 20 Cb 0.00 -1.82 -0.04 0.00 1.34 0.00 0.00 72.50 71.98 2pac s THR 20 CO 0.00 -0.57 -0.11 -0.75 -0.54 0.00 0.00 174.62 172.66 2pac s LYS 21 N -3.99 2.11 0.00 3.99 2.20 -1.26 -3.76 119.74 119.04 2pac s LYS 21 Ca 0.17 -1.02 0.00 0.00 -0.36 0.00 0.00 55.97 54.76 2pac s LYS 21 Cb 0.06 -2.29 0.00 0.00 -1.51 0.00 0.00 37.83 34.09 2pac s LYS 21 CO -0.02 0.51 0.00 -0.12 -0.36 0.00 0.00 175.35 175.36 2pac n MET 22 N 0.76 0.00 -0.07 4.03 0.00 -1.26 -5.03 117.12 115.55 2pac n MET 22 Ca -0.14 0.00 -0.16 0.00 -0.00 0.00 0.00 57.70 57.40 2pac n MET 22 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.69 2pac n MET 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2pac n VAL 23 N -0.48 0.88 -2.90 1.12 0.31 -1.20 -5.04 118.33 111.02 2pac n VAL 23 Ca 0.00 -0.19 -0.20 0.00 -0.01 0.00 0.00 64.34 63.94 2pac n VAL 23 Cb 0.00 -1.73 0.02 0.00 -0.91 0.00 0.00 33.84 31.22 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 -5.23 1.78 0.37 2.92 0.00 -0.90 -4.78 107.32 101.46 2pac s GLY 24 Ca -0.21 -1.37 -0.26 0.00 0.00 0.00 0.00 44.72 42.87 2pac s GLY 24 CO 0.27 -1.16 1.15 2.56 0.00 0.00 0.00 173.10 175.92 2pac s PRO 25 N -4.55 4.23 0.06 2.90 0.04 -1.26 -4.67 135.00 131.75 2pac s PRO 25 Ca 0.53 1.82 -0.31 0.00 0.04 0.00 0.00 61.00 63.09 2pac s PRO 25 Cb -0.10 -2.81 -0.07 0.00 0.04 0.00 0.00 34.50 31.56 2pac s PRO 25 CO 0.36 -0.16 1.49 0.00 0.04 0.00 0.00 177.00 178.73 2pac s ALA 26 N -1.36 3.63 0.24 8.56 0.00 -1.25 -4.76 121.76 126.81 2pac s ALA 26 Ca 0.53 1.07 -0.06 0.00 0.00 0.00 0.00 51.96 53.50 2pac s ALA 26 Cb -0.31 -3.62 0.29 0.00 0.00 0.00 0.00 23.12 19.48 2pac s ALA 26 CO 0.39 -0.90 1.87 1.88 0.00 0.00 0.00 175.76 179.00 2pac h TYR 27 N 7.71 1.05 -0.00 0.00 -1.99 -1.72 0.18 116.97 122.20 2pac h TYR 27 Ca -0.41 0.03 -0.07 0.00 2.00 0.00 0.00 58.73 60.28 2pac h TYR 27 Cb 1.19 -0.35 -0.01 0.00 2.00 0.00 0.00 36.73 39.57 2pac h TYR 27 CO 0.73 0.59 -0.35 -0.22 -0.00 0.00 0.00 178.16 178.91 2pac h LYS 28 N 1.07 0.01 -0.07 4.88 3.64 -1.80 -1.78 116.57 122.52 2pac h LYS 28 Ca 0.36 -0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.59 2pac h LYS 28 Cb 0.05 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2pac h LYS 28 CO -0.13 0.36 -0.60 -0.44 -2.27 0.00 0.00 179.45 176.37 2pac h ASP 29 N 0.01 0.26 -0.13 4.20 3.32 -1.34 -1.43 116.42 121.30 2pac h ASP 29 Ca -0.00 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 56.85 2pac h ASP 29 Cb 0.62 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 2pac h ASP 29 CO 0.05 0.80 -0.05 0.58 -1.72 0.00 0.00 179.24 178.90 2pac h VAL 30 N 0.17 1.19 -0.02 -1.35 2.07 0.10 0.13 116.25 118.54 2pac h VAL 30 Ca -0.01 -0.77 -0.13 0.00 0.82 0.00 0.00 66.70 66.61 2pac h VAL 30 Cb 1.10 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 2pac h VAL 30 CO 0.09 0.25 -0.62 0.00 0.02 0.00 0.00 177.57 177.32 2pac h ALA 31 N 1.56 0.94 -0.37 1.67 0.00 -0.84 -1.58 119.26 120.64 2pac h ALA 31 Ca 0.08 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2pac h ALA 31 Cb 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2pac h ALA 31 CO 0.01 0.76 0.00 0.00 0.00 0.00 0.00 179.25 180.03 2pac n ALA 32 N -2.44 2.78 -0.88 0.00 0.00 -0.11 -3.49 120.51 116.38 2pac n ALA 32 Ca -0.02 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.58 2pac n ALA 32 Cb 0.62 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.06 2pac n ALA 32 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2pac n LYS 33 N 0.54 0.00 0.01 0.00 4.76 -0.38 -4.91 118.16 118.17 2pac n LYS 33 Ca 0.14 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.51 2pac n LYS 33 Cb 0.52 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.67 2pac n LYS 33 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 2pac h PHE 34 N 0.00 -0.70 -5.71 2.13 0.04 -1.52 -3.47 116.94 107.70 2pac h PHE 34 Ca 0.00 0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.69 2pac h PHE 34 Cb 0.00 0.31 0.01 0.00 2.20 0.00 0.00 35.95 38.47 2pac h PHE 34 CO 0.00 -0.25 -0.92 0.00 -0.60 0.00 0.00 178.31 176.55 2pac n ALA 35 N -2.74 -1.93 -1.56 2.45 0.00 -1.23 -3.91 120.51 111.59 2pac n ALA 35 Ca -0.03 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2pac n ALA 35 Cb 0.17 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 0.78 0.96 2.51 0.00 0.00 -1.26 -5.04 105.19 103.13 2pac n GLY 36 Ca -0.02 -0.49 -0.27 0.00 0.00 0.00 0.00 46.02 45.23 2pac n GLY 36 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2pac n GLN 37 N -0.53 0.59 -3.69 1.61 -0.06 -1.25 -5.04 117.38 109.01 2pac n GLN 37 Ca 0.00 -3.50 -0.37 0.00 -2.00 0.00 0.00 57.00 51.13 2pac n GLN 37 Cb 0.33 -1.82 -0.09 0.00 -4.06 0.00 0.00 30.24 24.60 2pac n GLN 37 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2pac s ALA 38 N -0.32 3.62 -0.00 1.69 0.00 -1.26 -4.77 121.76 120.72 2pac s ALA 38 Ca 0.31 -3.27 0.00 0.00 0.00 0.00 0.00 51.96 49.01 2pac s ALA 38 Cb 0.02 -2.73 0.01 0.00 0.00 0.00 0.00 23.12 20.42 2pac s ALA 38 CO -0.19 -2.12 0.66 0.41 0.00 0.00 0.00 175.76 174.52 2pac n GLY 39 N 3.52 -1.30 0.00 0.00 0.00 -1.26 -5.02 105.19 101.13 2pac n GLY 39 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.14 0.00 0.00 4.61 0.00 -1.26 -4.98 120.51 118.74 2pac n ALA 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2pac n ALA 40 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 2pac n ALA 40 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2pac n GLU 41 N 0.00 0.00 -0.02 0.00 2.13 -1.26 -4.60 120.64 116.89 2pac n GLU 41 Ca 0.00 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.61 2pac n GLU 41 Cb 0.00 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 31.58 2pac n GLU 41 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2pac h ALA 42 N 0.00 0.21 -0.01 4.31 0.00 -1.98 -2.82 119.26 118.98 2pac h ALA 42 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 53.81 2pac h ALA 42 Cb 0.00 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2pac h ALA 42 CO 0.00 0.80 -0.17 -1.91 0.00 0.00 0.00 179.25 177.97 2pac n GLU 43 N -4.02 0.76 0.01 0.00 2.13 -1.26 -1.37 120.64 116.89 2pac n GLU 43 Ca -0.26 -0.35 -0.14 0.00 0.66 0.00 0.00 57.16 57.07 2pac n GLU 43 Cb 0.85 -1.49 -0.14 0.00 0.27 0.00 0.00 31.44 30.92 2pac n GLU 43 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 2pac h LEU 44 N 0.86 0.20 -0.14 4.31 7.12 -1.89 -2.95 115.31 122.82 2pac h LEU 44 Ca 0.00 -0.37 -0.09 0.00 0.13 0.00 0.00 57.88 57.55 2pac h LEU 44 Cb 0.42 -0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 40.48 2pac h LEU 44 CO 0.00 1.33 -0.41 0.00 -0.13 0.00 0.00 178.44 179.23 2pac h ALA 45 N 0.64 0.76 0.00 1.25 0.00 -1.44 -2.85 119.26 117.62 2pac h ALA 45 Ca -0.29 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.23 2pac h ALA 45 Cb 2.00 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.72 2pac h ALA 45 CO 0.11 0.51 -0.10 0.37 0.00 0.00 0.00 179.25 180.14 2pac h GLN 46 N 0.00 0.00 0.02 0.00 5.75 -1.23 -1.93 115.11 117.72 2pac h GLN 46 Ca -0.00 0.00 -0.23 0.00 -0.15 0.00 0.00 58.65 58.27 2pac h GLN 46 Cb 1.26 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.81 2pac h GLN 46 CO 0.05 0.10 -0.97 0.00 -2.65 0.00 0.00 178.83 175.36 2pac h ARG 47 N 0.00 0.37 0.00 1.69 -0.00 -1.32 0.64 114.38 115.76 2pac h ARG 47 Ca -0.00 -0.42 0.00 0.00 -0.50 0.00 0.00 59.98 59.06 2pac h ARG 47 Cb 0.65 0.12 0.00 0.00 0.00 0.00 0.00 29.97 30.74 2pac h ARG 47 CO 0.01 1.10 0.00 -0.89 0.00 0.00 0.00 179.97 180.20 2pac n ILE 48 N -3.71 0.77 -0.49 2.04 5.41 -0.75 0.12 119.36 122.74 2pac n ILE 48 Ca -0.07 0.19 0.00 0.00 1.00 0.00 0.00 62.75 63.88 2pac n ILE 48 Cb 0.85 -0.92 0.00 0.00 -0.71 0.00 0.00 39.64 38.86 2pac n ILE 48 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2pac n LYS 49 N -1.42 0.11 0.00 0.38 4.81 -1.04 -4.47 118.16 116.54 2pac n LYS 49 Ca 0.05 -0.48 0.00 0.00 -0.87 0.00 0.00 58.31 57.01 2pac n LYS 49 Cb 0.16 -0.75 0.00 0.00 0.02 0.00 0.00 35.03 34.46 2pac n LYS 49 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2pac n ASN 50 N -0.08 0.00 0.00 3.14 4.05 0.22 -2.04 115.26 120.55 2pac n ASN 50 Ca 0.00 -1.00 0.00 0.00 0.45 0.00 0.00 54.58 54.03 2pac n ASN 50 Cb 0.20 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.21 2pac n ASN 50 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2pac n GLY 51 N 0.00 -2.69 0.00 8.20 0.00 0.12 -4.77 105.19 106.04 2pac n GLY 51 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.68 2pac n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2pac n SER 52 N -1.58 -0.40 -0.03 1.61 2.88 -1.25 -4.50 113.62 110.35 2pac n SER 52 Ca 0.00 -0.36 -0.03 0.00 -1.33 0.00 0.00 58.87 57.15 2pac n SER 52 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 2pac n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2pac n GLN 53 N -0.76 2.79 0.00 -1.46 1.13 -1.26 -4.81 117.38 113.01 2pac n GLN 53 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2pac n GLN 53 Cb 0.00 -1.15 0.00 0.00 0.11 0.00 0.00 30.24 29.20 2pac n GLN 53 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2pac n GLY 54 N 2.70 2.13 0.47 1.08 0.00 -1.26 -4.95 105.19 105.36 2pac n GLY 54 Ca -0.10 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 0.05 0.00 -0.05 1.61 0.31 -1.26 -4.87 118.33 114.13 2pac n VAL 55 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 2pac n VAL 55 Cb 0.00 -0.56 -0.07 0.00 -0.91 0.00 0.00 33.84 32.30 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 -2.32 0.00 -3.97 3.52 7.02 -1.26 -5.02 117.44 115.41 2pac n TRP 56 Ca 0.00 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.36 2pac n TRP 56 Cb 0.29 -0.48 -0.13 0.00 -2.42 0.00 0.00 31.31 28.57 2pac n TRP 56 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 2pac s GLY 57 N -4.29 0.15 -0.02 6.99 0.00 -1.26 -5.03 107.32 103.87 2pac s GLY 57 Ca -0.06 -0.26 0.03 0.00 0.00 0.00 0.00 44.72 44.42 2pac s GLY 57 CO 0.39 -0.28 0.89 -1.55 0.00 0.00 0.00 173.10 172.54 2pac n PRO 58 N 2.52 1.44 -3.96 2.90 -0.04 -1.26 -4.30 135.00 132.30 2pac n PRO 58 Ca -0.16 -0.45 -0.31 0.00 -0.04 0.00 0.00 63.50 62.53 2pac n PRO 58 Cb 0.58 -1.36 -0.14 0.00 -0.04 0.00 0.00 33.50 32.54 2pac n PRO 58 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2pac s ILE 59 N -1.56 2.55 0.56 0.52 2.07 -1.26 -5.01 121.20 119.07 2pac s ILE 59 Ca 0.08 -2.72 -0.19 0.00 -1.41 0.00 0.00 60.65 56.41 2pac s ILE 59 Cb 0.05 -2.81 -0.07 0.00 0.13 0.00 0.00 42.46 39.76 2pac s ILE 59 CO 0.04 -0.70 0.85 -0.81 -1.91 0.00 0.00 174.94 172.41 2pac n PRO 60 N 3.82 0.88 -2.65 3.50 -0.04 -1.26 -4.93 135.00 134.31 2pac n PRO 60 Ca 0.04 0.33 -0.40 0.00 -0.04 0.00 0.00 63.50 63.43 2pac n PRO 60 Cb 0.38 -2.01 -0.05 0.00 -0.04 0.00 0.00 33.50 31.78 2pac n PRO 60 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pac s MET 61 N -2.42 4.77 -0.50 0.54 0.23 -1.26 -4.84 119.30 115.81 2pac s MET 61 Ca 0.71 1.59 -0.42 0.00 -1.03 0.00 0.00 55.69 56.54 2pac s MET 61 Cb -0.45 -3.23 -0.18 0.00 -1.53 0.00 0.00 34.83 29.44 2pac s MET 61 CO 0.51 0.40 2.17 -2.30 -2.03 0.00 0.00 175.02 173.77 2pac n PRO 62 N 1.34 0.13 -1.72 3.16 -0.02 -1.26 -3.60 135.00 133.03 2pac n PRO 62 Ca -0.02 0.03 -0.33 0.00 -2.02 0.00 0.00 63.50 61.16 2pac n PRO 62 Cb 0.46 -1.62 0.05 0.00 -0.02 0.00 0.00 33.50 32.38 2pac n PRO 62 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2pac s PRO 63 N 6.17 2.69 0.19 0.52 0.05 -1.26 -4.74 135.00 138.62 2pac s PRO 63 Ca 1.19 1.48 0.00 0.00 0.05 0.00 0.00 61.00 63.73 2pac s PRO 63 Cb -1.41 -1.93 0.00 0.00 0.05 0.00 0.00 34.50 31.21 2pac s PRO 63 CO 0.63 -1.35 0.00 0.09 0.05 0.00 0.00 177.00 176.42 2pac n ASN 64 N -2.40 -4.61 0.00 6.66 4.13 -0.87 -4.90 115.26 113.27 2pac n ASN 64 Ca 0.11 0.53 0.00 0.00 1.68 0.00 0.00 54.58 56.90 2pac n ASN 64 Cb 0.52 -1.43 0.00 0.00 -1.54 0.00 0.00 39.78 37.32 2pac n ASN 64 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2pac n ALA 65 N -0.52 0.00 -2.98 5.41 0.00 -1.26 -4.97 120.51 116.19 2pac n ALA 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2pac n ALA 65 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2pac n ALA 65 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2pac n VAL 66 N -1.31 0.00 0.00 0.00 0.24 -1.26 -5.15 118.33 110.86 2pac n VAL 66 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2pac n VAL 66 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2pac n VAL 66 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2pac n SER 67 N 0.00 0.00 -1.26 -1.34 2.88 -1.26 -5.04 113.62 107.60 2pac n SER 67 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 2pac n SER 67 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 2pac n SER 67 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2pac n ASP 68 N 0.00 -0.47 0.07 -3.46 2.03 -1.26 -4.96 116.55 108.50 2pac n ASP 68 Ca 0.00 -1.09 0.00 0.00 0.52 0.00 0.00 54.79 54.22 2pac n ASP 68 Cb 0.00 0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.58 2pac n ASP 68 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2pac n ASP 69 N -0.27 0.29 0.31 1.67 2.03 -1.26 -4.37 116.55 114.95 2pac n ASP 69 Ca -0.09 0.24 0.18 0.00 0.52 0.00 0.00 54.79 55.63 2pac n ASP 69 Cb 0.52 0.05 1.01 0.00 -0.72 0.00 0.00 41.12 41.99 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 0.00 0.15 -0.67 4.39 -2.00 -0.69 114.58 115.77 2pac h GLU 70 Ca 0.00 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.40 2pac h GLU 70 Cb 0.14 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.80 2pac h GLU 70 CO 0.00 0.01 -1.50 0.00 -1.16 0.00 0.00 179.01 176.35 2pac h ALA 71 N 1.99 0.13 -0.92 3.43 0.00 -1.93 -3.28 119.26 118.68 2pac h ALA 71 Ca -0.00 -1.06 0.27 0.00 0.00 0.00 0.00 54.91 54.11 2pac h ALA 71 Cb 0.02 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 2pac h ALA 71 CO 0.00 0.86 0.66 0.37 0.00 0.00 0.00 179.25 181.14 2pac h GLN 72 N -0.12 0.01 0.04 0.00 4.15 -1.34 0.49 115.11 118.33 2pac h GLN 72 Ca -0.31 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.11 2pac h GLN 72 Cb 1.91 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.59 2pac h GLN 72 CO 0.12 0.01 -0.02 1.15 -1.93 0.00 0.00 178.83 178.16 2pac h THR 73 N 0.01 1.34 0.00 2.39 2.02 -1.51 -3.03 112.91 114.13 2pac h THR 73 Ca 0.44 -1.41 0.00 0.00 0.77 0.00 0.00 66.41 66.21 2pac h THR 73 Cb 1.74 2.25 0.00 0.00 -1.74 0.00 0.00 68.15 70.40 2pac h THR 73 CO -0.01 0.35 0.00 0.18 0.37 0.00 0.00 175.52 176.41 2pac n LEU 74 N -4.82 0.00 0.06 2.58 4.32 -0.03 -2.39 117.00 116.72 2pac n LEU 74 Ca -0.09 0.12 0.05 0.00 -0.02 0.00 0.00 56.01 56.08 2pac n LEU 74 Cb 0.30 -0.12 -0.05 0.00 -1.62 0.00 0.00 43.42 41.93 2pac n LEU 74 CO 0.31 -0.04 -0.18 0.00 -1.22 0.00 0.00 177.39 176.27 2pac n ALA 75 N -1.12 2.18 0.26 -1.18 0.00 0.15 -3.49 120.51 117.30 2pac n ALA 75 Ca 0.14 -0.42 0.11 0.00 0.00 0.00 0.00 53.44 53.27 2pac n ALA 75 Cb 0.12 -1.01 -0.06 0.00 0.00 0.00 0.00 19.45 18.50 2pac n ALA 75 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2pac n LYS 76 N -2.79 0.49 -0.05 0.00 3.00 -1.00 -3.67 118.16 114.13 2pac n LYS 76 Ca -0.06 -0.04 -0.16 0.00 -0.00 0.00 0.00 58.31 58.06 2pac n LYS 76 Cb 0.72 -1.63 -0.05 0.00 0.00 0.00 0.00 35.03 34.07 2pac n LYS 76 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.40 179.75 2pac h TRP 77 N 0.00 1.08 0.69 5.64 7.01 -1.62 0.37 115.95 129.13 2pac h TRP 77 Ca 0.00 -0.42 -0.03 0.00 2.11 0.00 0.00 58.89 60.54 2pac h TRP 77 Cb 0.89 -0.19 0.01 0.00 -2.10 0.00 0.00 29.16 27.76 2pac h TRP 77 CO 0.00 1.25 -0.34 -0.39 -2.79 0.00 0.00 178.44 176.17 2pac h VAL 78 N 0.62 0.00 -0.25 2.65 -1.51 -1.68 -1.19 116.25 114.88 2pac h VAL 78 Ca -0.01 0.00 0.07 0.00 -1.23 0.00 0.00 66.70 65.53 2pac h VAL 78 Cb 1.26 0.00 -0.01 0.00 -2.13 0.00 0.00 31.29 30.41 2pac h VAL 78 CO 0.14 0.00 0.25 -0.07 -1.23 0.00 0.00 177.57 176.66 2pac h LEU 79 N -0.94 0.00 -5.54 4.19 3.38 -1.63 -2.79 115.31 111.98 2pac h LEU 79 Ca -0.09 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.27 2pac h LEU 79 Cb 0.72 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.07 2pac h LEU 79 CO 0.15 0.00 -0.51 -1.20 0.09 0.00 0.00 178.44 176.97 2pac n SER 80 N -3.91 4.56 -4.74 -0.43 7.64 0.13 -4.72 113.62 112.15 2pac n SER 80 Ca 0.03 -3.64 -0.28 0.00 1.01 0.00 0.00 58.87 55.99 2pac n SER 80 Cb 0.39 -0.63 -0.07 0.00 -1.01 0.00 0.00 64.21 62.90 2pac n SER 80 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2pac s GLN 81 N -3.33 2.70 0.00 1.43 -1.52 -0.50 -4.65 119.66 113.79 2pac s GLN 81 Ca 0.46 -0.86 0.00 0.00 -1.95 0.00 0.00 55.36 53.02 2pac s GLN 81 Cb 0.25 -2.58 0.00 0.00 -0.22 0.00 0.00 33.01 30.45 2pac s GLN 81 CO -0.11 0.52 0.00 1.17 -0.25 0.00 0.00 175.29 176.61