#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 -0.57 0.18 1.62 1.47 -1.26 -5.01 116.67 113.10 2pac s ASP 2 Ca 0.00 -0.31 0.23 0.00 1.18 0.00 0.00 52.55 53.66 2pac s ASP 2 Cb 0.00 0.73 0.90 0.00 -0.34 0.00 0.00 42.92 44.22 2pac s ASP 2 CO 0.00 -0.06 1.71 -0.81 0.68 0.00 0.00 175.17 176.69 2pac n PRO 3 N 3.79 0.17 0.07 2.11 -0.05 -1.26 -1.85 135.00 137.97 2pac n PRO 3 Ca 0.07 0.31 -0.04 0.00 -0.05 0.00 0.00 63.50 63.79 2pac n PRO 3 Cb 0.62 -1.77 -0.08 0.00 -0.05 0.00 0.00 33.50 32.23 2pac n PRO 3 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 175.50 176.38 2pac h GLU 4 N 0.00 0.00 0.02 0.54 5.08 -1.97 0.14 114.58 118.39 2pac h GLU 4 Ca 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 2pac h GLU 4 Cb 0.45 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2pac h GLU 4 CO 0.00 0.68 -0.97 0.28 -1.00 0.00 0.00 179.01 178.00 2pac h VAL 5 N 0.00 1.58 -0.07 3.13 2.07 -1.83 -2.94 116.25 118.20 2pac h VAL 5 Ca -0.07 -2.99 -0.24 0.00 0.82 0.00 0.00 66.70 64.21 2pac h VAL 5 Cb 1.68 2.68 0.01 0.00 -1.52 0.00 0.00 31.29 34.14 2pac h VAL 5 CO 0.09 0.86 -0.91 -0.07 0.02 0.00 0.00 177.57 177.56 2pac h LEU 6 N 0.05 0.87 -2.15 2.57 -0.00 -1.36 0.21 115.31 115.50 2pac h LEU 6 Ca -0.04 -0.64 0.00 0.00 -0.00 0.00 0.00 57.88 57.20 2pac h LEU 6 Cb 1.66 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 42.06 2pac h LEU 6 CO 0.14 1.44 0.00 0.15 -0.00 0.00 0.00 178.44 180.17 2pac h PHE 7 N 0.44 0.00 0.00 1.13 3.57 -0.90 -1.74 116.94 119.44 2pac h PHE 7 Ca -0.09 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.41 2pac h PHE 7 Cb 1.55 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.29 2pac h PHE 7 CO 0.09 0.00 -0.52 1.17 -2.23 0.00 0.00 178.31 176.81 2pac n LYS 8 N -2.66 3.83 0.14 1.11 3.00 -1.12 -2.28 118.16 120.17 2pac n LYS 8 Ca -0.02 -0.01 0.04 0.00 -0.00 0.00 0.00 58.31 58.32 2pac n LYS 8 Cb 0.06 -0.83 0.47 0.00 0.00 0.00 0.00 35.03 34.73 2pac n LYS 8 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.40 174.45 2pac h ASN 9 N 0.00 0.19 0.00 3.14 -1.07 0.38 -3.41 115.58 114.81 2pac h ASN 9 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 56.30 56.35 2pac h ASN 9 Cb 0.13 -0.05 0.00 0.00 -2.07 0.00 0.00 38.32 36.33 2pac h ASN 9 CO 0.00 0.26 0.00 1.17 0.07 0.00 0.00 177.43 178.93 2pac n LYS 10 N -4.38 0.00 -0.46 4.14 3.00 -1.24 -5.06 118.16 114.16 2pac n LYS 10 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.30 2pac n LYS 10 Cb 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.21 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 3.99 0.78 0.19 3.14 0.00 -1.26 -4.98 105.19 107.05 2pac n GLY 11 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -5.27 1.09 -0.25 0.00 3.14 -0.97 -1.46 118.33 114.62 2pac n VAL 13 Ca -0.10 0.56 0.05 0.00 -2.96 0.00 0.00 64.34 61.89 2pac n VAL 13 Cb 0.18 -1.56 0.18 0.00 -1.06 0.00 0.00 33.84 31.58 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 1.23 0.96 0.00 1.55 0.00 -1.76 -3.32 119.26 117.93 2pac h ALA 14 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2pac h ALA 14 Cb 0.43 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2pac h ALA 14 CO 0.00 -0.31 -0.10 0.00 0.00 0.00 0.00 179.25 178.84 2pac n HIS 16 N 0.00 2.65 -0.63 0.00 -0.00 -0.53 -2.22 115.22 114.48 2pac n HIS 16 Ca 0.00 -2.70 -0.31 0.00 -0.00 0.00 0.00 57.72 54.71 2pac n HIS 16 Cb 0.54 -1.16 0.19 0.00 -0.00 0.00 0.00 29.99 29.56 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 0.51 -3.21 -2.86 -1.41 0.00 -1.26 -4.71 120.51 107.58 2pac n ALA 17 Ca 0.37 -1.08 -0.21 0.00 0.00 0.00 0.00 53.44 52.52 2pac n ALA 17 Cb 0.30 -1.78 -0.02 0.00 0.00 0.00 0.00 19.45 17.95 2pac n ALA 17 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 2pac n ILE 18 N -4.47 1.64 0.00 0.00 0.13 -1.26 -2.57 119.36 112.83 2pac n ILE 18 Ca 0.03 -4.69 0.00 0.00 -1.10 0.00 0.00 62.75 56.99 2pac n ILE 18 Cb 0.57 -0.67 0.00 0.00 -0.84 0.00 0.00 39.64 38.71 2pac n ILE 18 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 2pac n ASP 19 N -0.12 0.00 -4.42 9.51 2.03 -1.26 -4.68 116.55 117.61 2pac n ASP 19 Ca 0.27 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.32 2pac n ASP 19 Cb 0.60 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.91 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 0.00 1.10 -0.02 5.18 2.01 -1.26 -4.96 115.64 117.70 2pac s THR 20 Ca 0.00 -2.00 0.04 0.00 0.31 0.00 0.00 61.69 60.04 2pac s THR 20 Cb 0.00 -2.57 -0.01 0.00 0.01 0.00 0.00 72.50 69.94 2pac s THR 20 CO 0.00 0.00 -0.14 -1.59 -0.69 0.00 0.00 174.62 172.20 2pac s LYS 21 N -3.81 1.25 0.01 4.92 -2.85 -1.26 -3.68 119.74 114.32 2pac s LYS 21 Ca 0.27 -0.49 0.00 0.00 -1.00 0.00 0.00 55.97 54.74 2pac s LYS 21 Cb 0.06 -1.17 0.00 0.00 -2.06 0.00 0.00 37.83 34.66 2pac s LYS 21 CO 0.13 0.26 0.00 -0.12 0.10 0.00 0.00 175.35 175.72 2pac n MET 22 N 2.92 0.00 0.00 1.78 1.56 -1.26 -5.02 117.12 117.10 2pac n MET 22 Ca -0.16 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.27 2pac n MET 22 Cb 0.54 -0.01 0.00 0.00 2.15 0.00 0.00 33.22 35.91 2pac n MET 22 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 2pac n VAL 23 N -2.55 0.00 -2.94 1.12 0.31 -1.25 -5.07 118.33 107.96 2pac n VAL 23 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.08 2pac n VAL 23 Cb 0.00 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 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 -4.89 1.48 0.21 2.92 0.00 -0.94 -5.01 107.32 101.09 2pac s GLY 24 Ca 0.00 -0.82 -0.30 0.00 0.00 0.00 0.00 44.72 43.60 2pac s GLY 24 CO 0.00 -0.67 1.38 2.56 0.00 0.00 0.00 173.10 176.36 2pac s PRO 25 N -4.58 4.33 0.05 2.90 0.04 -1.26 -4.73 135.00 131.74 2pac s PRO 25 Ca 0.46 2.17 -0.32 0.00 0.04 0.00 0.00 61.00 63.34 2pac s PRO 25 Cb -0.10 -3.16 -0.11 0.00 0.04 0.00 0.00 34.50 31.17 2pac s PRO 25 CO 0.40 -0.35 1.84 0.00 0.04 0.00 0.00 177.00 178.94 2pac n ALA 26 N 2.67 1.56 0.22 8.56 0.00 -1.24 -4.70 120.51 127.58 2pac n ALA 26 Ca 0.07 0.30 0.13 0.00 0.00 0.00 0.00 53.44 53.94 2pac n ALA 26 Cb 0.42 -2.55 0.70 0.00 0.00 0.00 0.00 19.45 18.01 2pac n ALA 26 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2pac h TYR 27 N 8.80 0.00 0.23 0.00 -1.99 -1.76 -0.93 116.97 121.31 2pac h TYR 27 Ca -0.48 0.00 -0.34 0.00 2.00 0.00 0.00 58.73 59.91 2pac h TYR 27 Cb 1.25 0.00 0.03 0.00 2.00 0.00 0.00 36.73 40.00 2pac h TYR 27 CO 0.83 0.00 -1.58 1.57 -0.00 0.00 0.00 178.16 178.98 2pac h LYS 28 N 0.00 0.48 0.00 4.88 2.10 -1.86 -2.54 116.57 119.63 2pac h LYS 28 Ca 0.00 -0.82 -0.08 0.00 -2.00 0.00 0.00 60.65 57.75 2pac h LYS 28 Cb 0.22 0.30 -0.01 0.00 -0.90 0.00 0.00 32.23 31.84 2pac h LYS 28 CO 0.00 1.39 -0.37 0.38 -2.00 0.00 0.00 179.45 178.85 2pac h ASP 29 N 0.13 0.00 0.14 7.07 3.04 -1.56 -1.24 116.42 123.99 2pac h ASP 29 Ca -0.29 0.00 -0.19 0.00 -3.24 0.00 0.00 57.03 53.31 2pac h ASP 29 Cb 2.14 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 40.43 2pac h ASP 29 CO 0.24 0.37 -0.73 0.58 -2.04 0.00 0.00 179.24 177.66 2pac h VAL 30 N 0.00 1.35 -0.29 4.15 2.07 -1.44 -0.33 116.25 121.76 2pac h VAL 30 Ca -0.00 -2.07 0.00 0.00 0.82 0.00 0.00 66.70 65.44 2pac h VAL 30 Cb 0.92 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.74 2pac h VAL 30 CO 0.05 0.63 0.00 0.00 0.02 0.00 0.00 177.57 178.27 2pac n ALA 31 N -2.54 2.84 -1.86 1.67 0.00 -0.89 -2.41 120.51 117.34 2pac n ALA 31 Ca -0.05 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.65 2pac n ALA 31 Cb 0.71 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.14 2pac n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pac n ALA 32 N 0.36 1.81 -2.64 0.00 0.00 -0.52 -4.63 120.51 114.88 2pac n ALA 32 Ca 0.12 -0.68 -0.03 0.00 0.00 0.00 0.00 53.44 52.85 2pac n ALA 32 Cb 0.51 -0.30 0.07 0.00 0.00 0.00 0.00 19.45 19.73 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 0.00 0.83 0.00 0.00 5.02 -0.17 -4.93 118.16 118.90 2pac n LYS 33 Ca 0.00 -1.04 0.00 0.00 -2.02 0.00 0.00 58.31 55.25 2pac n LYS 33 Cb 0.62 0.14 0.00 0.00 -0.02 0.00 0.00 35.03 35.77 2pac n LYS 33 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2pac n PHE 34 N -0.80 0.00 -1.57 2.13 7.35 -1.21 -4.87 117.46 118.49 2pac n PHE 34 Ca -0.12 0.00 -0.46 0.00 -0.76 0.00 0.00 57.45 56.10 2pac n PHE 34 Cb 0.75 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.56 2pac n PHE 34 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2pac n ALA 35 N 0.00 -0.62 0.00 3.13 0.00 -1.01 -1.67 120.51 120.33 2pac n ALA 35 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2pac n ALA 35 Cb 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.46 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 1.57 0.32 2.53 0.00 0.00 -1.26 -4.96 105.19 103.39 2pac n GLY 36 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 2pac n GLY 36 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2pac n GLN 37 N -1.70 4.72 -0.58 1.61 1.13 -0.67 -4.99 117.38 116.89 2pac n GLN 37 Ca 0.00 -3.69 -0.30 0.00 -1.94 0.00 0.00 57.00 51.06 2pac n GLN 37 Cb 0.00 -2.61 0.21 0.00 0.11 0.00 0.00 30.24 27.95 2pac n GLN 37 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2pac n ALA 38 N 1.48 -3.61 -1.91 -1.58 0.00 -1.26 -3.63 120.51 110.00 2pac n ALA 38 Ca 0.58 -1.25 -0.13 0.00 0.00 0.00 0.00 53.44 52.65 2pac n ALA 38 Cb 0.25 -1.74 -0.03 0.00 0.00 0.00 0.00 19.45 17.94 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 1.57 0.44 0.00 0.00 0.00 -1.26 -4.85 105.19 101.09 2pac n GLY 39 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.50 1.56 0.20 4.61 0.00 -1.24 -4.69 120.51 120.45 2pac n ALA 40 Ca -0.15 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.32 2pac n ALA 40 Cb 0.55 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.12 2pac n ALA 40 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2pac n GLU 41 N -0.84 0.00 -0.03 0.00 0.28 -1.26 -1.30 120.64 117.49 2pac n GLU 41 Ca 0.00 0.40 -0.09 0.00 -0.16 0.00 0.00 57.16 57.31 2pac n GLU 41 Cb 0.00 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.29 2pac n GLU 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2pac h ALA 42 N 2.20 -0.06 -0.01 -1.84 0.00 -1.96 -2.23 119.26 115.37 2pac h ALA 42 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2pac h ALA 42 Cb 0.10 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2pac h ALA 42 CO 0.00 -0.09 0.00 -0.85 0.00 0.00 0.00 179.25 178.31 2pac n GLU 43 N -4.75 1.05 0.00 0.00 -0.00 -0.99 -2.55 120.64 113.40 2pac n GLU 43 Ca -0.06 -0.08 -0.18 0.00 -0.00 0.00 0.00 57.16 56.83 2pac n GLU 43 Cb 0.28 -1.38 -0.14 0.00 -0.00 0.00 0.00 31.44 30.19 2pac n GLU 43 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 2pac n LEU 44 N -0.79 2.21 0.27 -1.84 7.94 -0.42 -3.07 117.00 121.29 2pac n LEU 44 Ca 0.18 0.26 0.15 0.00 -1.11 0.00 0.00 56.01 55.50 2pac n LEU 44 Cb 0.10 -0.81 0.71 0.00 0.53 0.00 0.00 43.42 43.96 2pac n LEU 44 CO 0.14 0.74 0.97 0.00 -1.11 0.00 0.00 177.39 178.13 2pac h ALA 45 N 0.30 1.09 0.00 1.96 0.00 -1.11 -0.54 119.26 120.95 2pac h ALA 45 Ca -0.39 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.33 2pac h ALA 45 Cb 2.03 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.79 2pac h ALA 45 CO 0.09 0.11 -0.77 1.96 0.00 0.00 0.00 179.25 180.64 2pac h GLN 46 N 0.00 0.00 0.24 0.00 4.20 -1.61 -2.40 115.11 115.53 2pac h GLN 46 Ca -0.00 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.38 2pac h GLN 46 Cb 0.45 0.00 0.04 0.00 0.30 0.00 0.00 27.48 28.27 2pac h GLN 46 CO 0.01 0.35 -1.45 0.00 -0.67 0.00 0.00 178.83 177.07 2pac h ARG 47 N 0.00 0.54 -0.00 1.46 3.08 -1.21 0.44 114.38 118.69 2pac h ARG 47 Ca -0.05 -0.90 0.00 0.00 0.07 0.00 0.00 59.98 59.10 2pac h ARG 47 Cb 1.38 0.33 0.00 0.00 0.08 0.00 0.00 29.97 31.76 2pac h ARG 47 CO 0.05 1.43 -0.00 0.44 -1.07 0.00 0.00 179.97 180.81 2pac n ILE 48 N -3.72 0.00 -0.11 2.04 -5.35 -0.31 0.13 119.36 112.04 2pac n ILE 48 Ca -0.16 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.24 2pac n ILE 48 Cb 1.09 -0.17 0.00 0.00 -1.74 0.00 0.00 39.64 38.82 2pac n ILE 48 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 2pac n LYS 49 N -0.63 2.45 0.00 6.28 4.81 -0.90 -4.70 118.16 125.46 2pac n LYS 49 Ca 0.22 -0.19 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 2pac n LYS 49 Cb 0.19 -0.63 0.00 0.00 0.02 0.00 0.00 35.03 34.61 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 -0.40 0.00 0.00 3.14 2.85 0.15 -4.03 115.26 116.97 2pac n ASN 50 Ca 0.00 -1.00 0.00 0.00 -0.11 0.00 0.00 54.58 53.47 2pac n ASN 50 Cb 0.03 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.05 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 0.00 -1.78 0.00 8.20 0.00 0.12 -4.61 105.19 107.12 2pac n GLY 51 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.49 2pac n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2pac n SER 52 N -1.81 0.99 0.00 1.61 3.41 -1.25 -4.44 113.62 112.13 2pac n SER 52 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2pac n SER 52 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2pac n SER 52 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2pac n GLN 53 N 0.00 5.22 0.00 4.33 7.27 -1.26 -4.62 117.38 128.32 2pac n GLN 53 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2pac n GLN 53 Cb 0.00 -0.57 0.00 0.00 2.41 0.00 0.00 30.24 32.08 2pac n GLN 53 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2pac n GLY 54 N 1.23 1.65 0.04 1.69 0.00 -1.26 -4.83 105.19 103.71 2pac n GLY 54 Ca 0.00 -0.72 -0.06 0.00 0.00 0.00 0.00 46.02 45.24 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 0.21 0.47 -1.39 1.61 0.31 -1.26 -4.62 118.33 113.66 2pac n VAL 55 Ca 0.00 -0.19 -0.05 0.00 -0.01 0.00 0.00 64.34 64.09 2pac n VAL 55 Cb 0.00 -0.80 0.20 0.00 -0.91 0.00 0.00 33.84 32.34 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 -2.70 1.29 0.00 3.52 7.02 -1.26 -5.02 117.44 120.28 2pac n TRP 56 Ca -0.14 -1.57 0.00 0.00 -1.02 0.00 0.00 57.50 54.77 2pac n TRP 56 Cb 0.66 -0.53 0.00 0.00 -2.42 0.00 0.00 31.31 29.02 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 -1.07 3.25 0.21 6.99 0.00 -1.26 -4.97 105.19 108.33 2pac n GLY 57 Ca 0.35 -1.41 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 2pac n GLY 57 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pac h PRO 58 N 0.00 0.68 -6.00 1.61 0.14 -1.91 -3.38 132.00 123.14 2pac h PRO 58 Ca 0.00 -0.34 -0.63 0.00 0.14 0.00 0.00 66.00 65.18 2pac h PRO 58 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 31.13 2pac h PRO 58 CO 0.00 0.94 1.44 1.51 0.14 0.00 0.00 178.00 182.04 2pac n ILE 59 N -4.31 0.28 -1.81 -3.56 3.06 -1.26 -4.61 119.36 107.15 2pac n ILE 59 Ca -0.04 -0.36 -0.29 0.00 -2.50 0.00 0.00 62.75 59.57 2pac n ILE 59 Cb 0.44 -2.12 0.09 0.00 0.54 0.00 0.00 39.64 38.58 2pac n ILE 59 CO 0.00 0.00 0.00 -2.16 -2.50 0.00 0.00 176.55 171.89 2pac s PRO 60 N 6.20 2.04 -0.15 9.51 0.04 -1.26 -4.80 135.00 146.57 2pac s PRO 60 Ca 1.04 0.26 -0.23 0.00 0.04 0.00 0.00 61.00 62.11 2pac s PRO 60 Cb -0.59 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 31.98 2pac s PRO 60 CO 0.42 -1.57 0.71 1.41 0.04 0.00 0.00 177.00 178.02 2pac s MET 61 N -5.45 4.30 -0.32 4.56 -2.45 -1.26 -4.96 119.30 113.71 2pac s MET 61 Ca 0.61 0.81 -0.37 0.00 -1.25 0.00 0.00 55.69 55.49 2pac s MET 61 Cb -0.12 -3.54 -0.13 0.00 1.25 0.00 0.00 34.83 32.29 2pac s MET 61 CO 0.51 -0.19 2.04 -2.30 1.05 0.00 0.00 175.02 176.13 2pac n PRO 62 N 4.77 1.09 -1.86 4.11 -0.02 -1.26 -4.04 135.00 137.80 2pac n PRO 62 Ca 0.01 0.34 -0.43 0.00 -2.02 0.00 0.00 63.50 61.40 2pac n PRO 62 Cb 0.50 -2.29 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 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 5.29 3.21 -0.14 0.52 0.04 -1.26 -4.64 135.00 138.01 2pac s PRO 63 Ca 1.06 1.60 -0.00 0.00 0.04 0.00 0.00 61.00 63.69 2pac s PRO 63 Cb -0.96 -4.27 -0.01 0.00 0.04 0.00 0.00 34.50 29.30 2pac s PRO 63 CO 0.55 -2.01 -0.13 1.21 0.04 0.00 0.00 177.00 176.67 2pac s ASN 64 N 7.05 3.93 0.09 6.66 3.04 -1.26 -4.91 114.94 129.55 2pac s ASN 64 Ca 0.87 -0.37 -0.29 0.00 0.04 0.00 0.00 52.86 53.11 2pac s ASN 64 Cb -0.25 -1.61 -0.06 0.00 -1.54 0.00 0.00 41.25 37.79 2pac s ASN 64 CO 0.33 0.13 0.91 0.00 -3.04 0.00 0.00 177.10 175.43 2pac s ALA 65 N 0.58 3.27 0.00 1.71 0.00 -1.26 -4.15 121.76 121.91 2pac s ALA 65 Ca -0.08 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.38 2pac s ALA 65 Cb -0.16 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.75 2pac s ALA 65 CO 0.03 -0.01 0.00 0.28 0.00 0.00 0.00 175.76 176.06 2pac n VAL 66 N 2.84 0.00 -4.34 0.00 0.31 -1.26 -5.12 118.33 110.76 2pac n VAL 66 Ca 0.01 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.08 2pac n VAL 66 Cb 0.49 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.33 2pac n VAL 66 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2pac s SER 67 N 1.13 4.04 -1.19 4.52 0.15 -1.26 -5.05 113.70 116.04 2pac s SER 67 Ca 0.00 -0.69 -0.18 0.00 0.70 0.00 0.00 55.95 55.78 2pac s SER 67 Cb 0.00 -0.59 0.09 0.00 -1.71 0.00 0.00 66.02 63.80 2pac s SER 67 CO 0.00 0.09 1.58 -1.81 1.20 0.00 0.00 173.24 174.30 2pac s ASP 68 N -2.93 6.79 0.00 5.45 1.01 -1.26 -2.96 116.67 122.77 2pac s ASP 68 Ca 0.25 -2.29 0.00 0.00 0.71 0.00 0.00 52.55 51.22 2pac s ASP 68 Cb -0.08 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.32 2pac s ASP 68 CO 0.14 -1.17 0.00 -0.67 0.21 0.00 0.00 175.17 173.69 2pac n ASP 69 N 7.91 0.00 0.14 0.27 2.03 -1.26 -4.87 116.55 120.77 2pac n ASP 69 Ca 0.41 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.74 2pac n ASP 69 Cb 0.47 0.00 0.11 0.00 -0.72 0.00 0.00 41.12 40.97 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 0.00 -0.67 5.08 -1.98 -2.43 114.58 114.59 2pac h GLU 70 Ca 0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.10 2pac h GLU 70 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 2pac h GLU 70 CO 0.00 0.58 -1.75 0.00 -1.00 0.00 0.00 179.01 176.84 2pac n ALA 71 N -2.29 1.65 -0.04 3.43 0.00 -1.15 -3.59 120.51 118.50 2pac n ALA 71 Ca 0.01 -0.79 -0.04 0.00 0.00 0.00 0.00 53.44 52.62 2pac n ALA 71 Cb 0.70 -0.77 0.19 0.00 0.00 0.00 0.00 19.45 19.57 2pac n ALA 71 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2pac h GLN 72 N 0.00 0.64 -0.18 0.00 4.15 -1.78 0.75 115.11 118.70 2pac h GLN 72 Ca -0.29 -0.20 -0.12 0.00 0.77 0.00 0.00 58.65 58.82 2pac h GLN 72 Cb 1.91 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 29.54 2pac h GLN 72 CO 0.06 0.74 -0.35 1.15 -1.93 0.00 0.00 178.83 178.50 2pac h THR 73 N 0.58 1.34 0.00 2.39 2.02 -1.57 -3.09 112.91 114.58 2pac h THR 73 Ca 0.10 -1.59 -0.09 0.00 0.77 0.00 0.00 66.41 65.60 2pac h THR 73 Cb 0.54 1.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.86 2pac h THR 73 CO 0.03 0.49 -0.43 -0.07 0.37 0.00 0.00 175.52 175.91 2pac h LEU 74 N 0.21 0.00 -1.62 2.58 3.38 -1.58 -2.62 115.31 115.65 2pac h LEU 74 Ca 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2pac h LEU 74 Cb 0.95 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 2pac h LEU 74 CO 0.08 0.43 -0.15 0.00 0.09 0.00 0.00 178.44 178.90 2pac h ALA 75 N 1.57 1.14 0.00 1.53 0.00 -0.80 -1.94 119.26 120.76 2pac h ALA 75 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2pac h ALA 75 Cb 0.92 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2pac h ALA 75 CO 0.06 0.18 -1.17 0.36 0.00 0.00 0.00 179.25 178.68 2pac n LYS 76 N -3.47 0.50 0.23 0.00 2.85 -1.02 -3.66 118.16 113.59 2pac n LYS 76 Ca -0.01 0.02 0.15 0.00 -1.05 0.00 0.00 58.31 57.42 2pac n LYS 76 Cb 0.31 -1.69 0.48 0.00 -0.65 0.00 0.00 35.03 33.48 2pac n LYS 76 CO 0.00 0.00 0.00 2.35 -0.05 0.00 0.00 177.40 179.70 2pac h TRP 77 N 0.00 0.00 0.00 5.58 7.01 -1.01 -2.75 115.95 124.78 2pac h TRP 77 Ca 0.00 0.00 -0.09 0.00 2.11 0.00 0.00 58.89 60.91 2pac h TRP 77 Cb 0.90 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.95 2pac h TRP 77 CO 0.00 0.00 -0.50 0.28 -2.79 0.00 0.00 178.44 175.43 2pac h VAL 78 N 0.00 1.26 -0.96 2.65 2.07 -1.63 -2.31 116.25 117.33 2pac h VAL 78 Ca 0.00 -2.13 0.13 0.00 0.82 0.00 0.00 66.70 65.52 2pac h VAL 78 Cb 0.68 2.57 -0.14 0.00 -1.52 0.00 0.00 31.29 32.87 2pac h VAL 78 CO 0.00 0.43 -0.46 0.25 0.02 0.00 0.00 177.57 177.80 2pac h LEU 79 N -1.00 -1.70 -5.00 2.57 7.12 -1.61 -3.37 115.31 112.32 2pac h LEU 79 Ca -0.13 0.31 -0.11 0.00 0.13 0.00 0.00 57.88 58.09 2pac h LEU 79 Cb 1.02 0.82 -0.10 0.00 -0.53 0.00 0.00 40.66 41.88 2pac h LEU 79 CO -0.08 -0.27 0.11 -1.54 -0.13 0.00 0.00 178.44 176.53 2pac n SER 80 N -5.39 -1.26 0.00 1.25 3.41 -1.05 -4.45 113.62 106.14 2pac n SER 80 Ca 0.07 -1.77 0.00 0.00 -0.26 0.00 0.00 58.87 56.90 2pac n SER 80 Cb 0.35 1.01 0.00 0.00 -0.26 0.00 0.00 64.21 65.30 2pac n SER 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pac n GLN 81 N -0.53 0.00 0.00 4.33 10.64 -0.87 -4.95 117.38 126.01 2pac n GLN 81 Ca -0.24 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 54.93 2pac n GLN 81 Cb 0.68 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.06 2pac n GLN 81 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40