#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 -1.90 0.01 1.62 5.68 -1.26 -4.74 116.55 115.95 2pac n ASP 2 Ca 0.00 0.02 0.11 0.00 -0.50 0.00 0.00 54.79 54.42 2pac n ASP 2 Cb 0.00 -1.14 0.50 0.00 -1.14 0.00 0.00 41.12 39.34 2pac n ASP 2 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06 2pac n PRO 3 N -2.90 0.01 0.11 0.11 -0.04 -1.26 -2.17 135.00 128.85 2pac n PRO 3 Ca 0.04 0.10 -0.03 0.00 -0.04 0.00 0.00 63.50 63.57 2pac n PRO 3 Cb 0.57 -1.52 0.04 0.00 -0.04 0.00 0.00 33.50 32.56 2pac n PRO 3 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2pac h GLU 4 N 0.00 0.00 0.05 0.54 4.81 -1.95 0.20 114.58 118.22 2pac h GLU 4 Ca 0.00 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.93 2pac h GLU 4 Cb 0.42 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 2pac h GLU 4 CO 0.00 0.74 -1.67 0.28 -0.73 0.00 0.00 179.01 177.64 2pac h VAL 5 N 0.00 0.94 -0.11 0.32 2.07 -1.86 -3.09 116.25 114.52 2pac h VAL 5 Ca -0.01 -2.71 -0.08 0.00 0.82 0.00 0.00 66.70 64.72 2pac h VAL 5 Cb 1.41 2.55 -0.01 0.00 -1.52 0.00 0.00 31.29 33.72 2pac h VAL 5 CO 0.10 0.68 -0.28 0.25 0.02 0.00 0.00 177.57 178.34 2pac h LEU 6 N 0.03 0.20 -0.57 2.57 6.46 -1.35 -2.04 115.31 120.61 2pac h LEU 6 Ca -0.28 -0.06 -0.16 0.00 -0.12 0.00 0.00 57.88 57.26 2pac h LEU 6 Cb 2.00 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 41.86 2pac h LEU 6 CO 0.10 0.48 -0.64 0.15 -0.62 0.00 0.00 178.44 177.91 2pac h PHE 7 N 0.18 0.39 0.00 1.25 3.04 -0.67 -2.69 116.94 118.45 2pac h PHE 7 Ca 0.03 -0.16 0.00 0.00 3.98 0.00 0.00 57.97 61.82 2pac h PHE 7 Cb 0.59 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 39.03 2pac h PHE 7 CO 0.01 0.86 0.00 1.17 -2.02 0.00 0.00 178.31 178.32 2pac n LYS 8 N -3.86 0.70 -0.00 1.11 4.81 -0.81 -2.37 118.16 117.74 2pac n LYS 8 Ca -0.03 0.01 -0.01 0.00 -0.87 0.00 0.00 58.31 57.42 2pac n LYS 8 Cb 0.65 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 34.19 2pac n LYS 8 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 2pac h ASN 9 N 0.00 -0.09 0.00 3.14 -0.00 -1.10 -3.47 115.58 114.06 2pac h ASN 9 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 56.30 56.31 2pac h ASN 9 Cb 0.08 0.04 0.00 0.00 -0.00 0.00 0.00 38.32 38.44 2pac h ASN 9 CO 0.00 -0.02 0.00 2.29 -0.00 0.00 0.00 177.43 179.70 2pac n LYS 10 N -2.76 0.00 0.14 6.67 2.85 -1.26 -5.02 118.16 118.78 2pac n LYS 10 Ca -0.00 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.20 2pac n LYS 10 Cb 0.02 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.37 2pac n LYS 10 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 2pac h GLY 11 N 0.00 -0.37 0.91 2.58 0.00 -1.89 -2.26 103.07 102.04 2pac h GLY 11 Ca 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 2pac h GLY 11 CO 0.00 -0.13 -0.42 0.00 0.00 0.00 0.00 176.54 175.98 2pac n VAL 13 N -5.58 0.70 -0.11 0.00 3.14 -1.00 -1.80 118.33 113.68 2pac n VAL 13 Ca -0.14 0.17 0.22 0.00 -2.96 0.00 0.00 64.34 61.63 2pac n VAL 13 Cb 0.45 -1.09 0.65 0.00 -1.06 0.00 0.00 33.84 32.79 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 2.27 2.51 0.00 1.55 0.00 -0.99 -3.27 119.26 121.33 2pac h ALA 14 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2pac h ALA 14 Cb 0.04 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2pac h ALA 14 CO 0.00 -0.72 -0.05 0.00 0.00 0.00 0.00 179.25 178.48 2pac n HIS 16 N 0.00 -1.91 0.00 0.00 8.25 -0.75 -2.46 115.22 118.35 2pac n HIS 16 Ca 0.00 -0.84 0.00 0.00 -0.26 0.00 0.00 57.72 56.62 2pac n HIS 16 Cb 0.52 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.44 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 -2.65 0.00 -0.03 -1.41 0.00 -1.26 -4.77 120.51 110.38 2pac n ALA 17 Ca -0.06 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.32 2pac n ALA 17 Cb 0.23 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.03 1.39 -2.12 0.00 -6.64 -1.26 -2.02 119.36 108.69 2pac n ILE 18 Ca 0.00 -0.78 0.04 0.00 -1.77 0.00 0.00 62.75 60.24 2pac n ILE 18 Cb 0.00 -0.77 0.06 0.00 -1.44 0.00 0.00 39.64 37.49 2pac n ILE 18 CO 0.00 0.00 0.00 -0.90 -1.77 0.00 0.00 176.55 173.88 2pac n ASP 19 N -2.89 1.02 -3.82 7.28 5.68 -1.26 -1.41 116.55 121.15 2pac n ASP 19 Ca -0.19 -2.43 -0.09 0.00 -0.50 0.00 0.00 54.79 51.57 2pac n ASP 19 Cb 1.02 -0.33 -0.07 0.00 -1.14 0.00 0.00 41.12 40.60 2pac n ASP 19 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2pac s THR 20 N -0.81 0.12 -0.06 2.12 2.01 -1.26 -5.08 115.64 112.68 2pac s THR 20 Ca 0.27 -1.01 0.03 0.00 0.31 0.00 0.00 61.69 61.29 2pac s THR 20 Cb 0.29 -1.21 0.01 0.00 0.01 0.00 0.00 72.50 71.60 2pac s THR 20 CO -0.10 -0.56 -0.14 -1.59 -0.69 0.00 0.00 174.62 171.54 2pac s LYS 21 N -3.52 1.77 0.00 4.92 0.00 -1.26 -4.00 119.74 117.64 2pac s LYS 21 Ca 0.02 -0.49 0.00 0.00 0.00 0.00 0.00 55.97 55.50 2pac s LYS 21 Cb 0.03 -1.47 0.00 0.00 0.00 0.00 0.00 37.83 36.39 2pac s LYS 21 CO -0.09 0.10 0.00 -1.33 0.00 0.00 0.00 175.35 174.03 2pac n MET 22 N 3.59 0.00 -0.10 1.78 2.81 -1.26 -4.99 117.12 118.94 2pac n MET 22 Ca -0.21 0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.51 2pac n MET 22 Cb 0.52 0.00 -0.13 0.00 -0.71 0.00 0.00 33.22 32.90 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 0.00 1.52 -3.58 2.03 0.31 -1.13 -5.00 118.33 112.47 2pac n VAL 23 Ca 0.00 -0.63 -0.22 0.00 -0.01 0.00 0.00 64.34 63.47 2pac n VAL 23 Cb 0.00 -1.30 -0.01 0.00 -0.91 0.00 0.00 33.84 31.62 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 -6.19 2.15 0.73 2.92 0.00 -1.03 -4.98 107.32 100.92 2pac s GLY 24 Ca -0.29 -1.71 -0.11 0.00 0.00 0.00 0.00 44.72 42.62 2pac s GLY 24 CO 0.66 -1.78 1.08 2.56 0.00 0.00 0.00 173.10 175.63 2pac s PRO 25 N -4.27 2.58 0.11 2.90 0.04 -1.26 -4.72 135.00 130.38 2pac s PRO 25 Ca 0.46 1.08 -0.17 0.00 0.04 0.00 0.00 61.00 62.41 2pac s PRO 25 Cb -0.03 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.50 2pac s PRO 25 CO 0.27 -1.39 0.57 0.00 0.04 0.00 0.00 177.00 176.50 2pac s ALA 26 N -2.94 3.57 0.31 8.56 0.00 -1.26 -4.26 121.76 125.74 2pac s ALA 26 Ca 0.60 -0.02 0.20 0.00 0.00 0.00 0.00 51.96 52.74 2pac s ALA 26 Cb -0.16 -2.61 0.96 0.00 0.00 0.00 0.00 23.12 21.31 2pac s ALA 26 CO 0.55 0.41 1.88 1.88 0.00 0.00 0.00 175.76 180.48 2pac h TYR 27 N 4.09 0.00 0.00 0.00 -1.99 -1.42 0.38 116.97 118.02 2pac h TYR 27 Ca -0.49 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.13 2pac h TYR 27 Cb 1.20 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.92 2pac h TYR 27 CO 0.67 0.28 -0.50 -0.22 -0.00 0.00 0.00 178.16 178.38 2pac h LYS 28 N 0.00 0.00 0.00 4.88 1.63 -1.52 -0.02 116.57 121.55 2pac h LYS 28 Ca -0.00 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.66 2pac h LYS 28 Cb 0.63 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.24 2pac h LYS 28 CO 0.04 0.50 -0.99 -0.44 -3.45 0.00 0.00 179.45 175.11 2pac h ASP 29 N 0.00 0.00 0.35 4.20 3.32 -1.58 -2.45 116.42 120.26 2pac h ASP 29 Ca -0.01 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.92 2pac h ASP 29 Cb 1.15 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 2pac h ASP 29 CO 0.07 0.55 -0.50 0.58 -1.72 0.00 0.00 179.24 178.22 2pac h VAL 30 N 0.00 1.35 0.00 -1.35 2.07 0.17 -1.71 116.25 116.77 2pac h VAL 30 Ca -0.08 -1.75 -0.09 0.00 0.82 0.00 0.00 66.70 65.60 2pac h VAL 30 Cb 1.50 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 33.12 2pac h VAL 30 CO 0.06 0.51 -0.41 0.00 0.02 0.00 0.00 177.57 177.76 2pac h ALA 31 N 1.33 0.75 -0.17 1.67 0.00 -0.97 -0.84 119.26 121.03 2pac h ALA 31 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2pac h ALA 31 Cb 0.94 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2pac h ALA 31 CO 0.08 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.83 2pac n ALA 32 N -2.21 2.52 0.00 0.00 0.00 -0.83 -2.78 120.51 117.20 2pac n ALA 32 Ca 0.02 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2pac n ALA 32 Cb 0.68 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 0.19 0.67 -0.01 0.00 3.00 -0.71 -4.84 118.16 116.46 2pac n LYS 33 Ca 0.15 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.45 2pac n LYS 33 Cb 0.28 -0.98 -0.00 0.00 0.00 0.00 0.00 35.03 34.33 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 -6.90 5.64 0.04 -1.20 -3.47 116.94 111.04 2pac h PHE 34 Ca 0.00 0.00 -0.58 0.00 2.80 0.00 0.00 57.97 60.19 2pac h PHE 34 Cb 0.11 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 38.13 2pac h PHE 34 CO 0.00 0.00 -0.96 0.00 -0.60 0.00 0.00 178.31 176.75 2pac n ALA 35 N -2.44 -2.14 0.00 2.45 0.00 -1.12 -2.56 120.51 114.69 2pac n ALA 35 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.02 2pac n ALA 35 Cb 0.04 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.08 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 -2.34 4.01 7.00 0.00 0.00 -1.26 -5.10 105.19 107.51 2pac n GLY 36 Ca -0.28 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 0.00 0.00 -2.66 1.61 3.00 -1.06 -4.90 117.38 113.37 2pac n GLN 37 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.95 2pac n GLN 37 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 30.24 30.25 2pac n GLN 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2pac n ALA 38 N 11.22 -0.22 -1.51 -1.58 0.00 -1.26 -4.96 120.51 122.20 2pac n ALA 38 Ca 0.00 0.07 -0.08 0.00 0.00 0.00 0.00 53.44 53.43 2pac n ALA 38 Cb 0.00 -1.34 0.18 0.00 0.00 0.00 0.00 19.45 18.29 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 -0.77 5.10 2.17 0.00 0.00 -1.26 -4.98 105.19 105.46 2pac n GLY 39 Ca -0.00 -1.42 -0.03 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.08 -3.10 0.17 4.61 0.00 -1.26 -4.60 120.51 115.25 2pac n ALA 40 Ca 0.36 0.49 0.09 0.00 0.00 0.00 0.00 53.44 54.39 2pac n ALA 40 Cb 1.02 -1.45 0.48 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.12 0.12 -0.04 0.00 0.28 -1.26 0.22 120.64 119.84 2pac n GLU 41 Ca 0.04 0.59 -0.13 0.00 -0.16 0.00 0.00 57.16 57.50 2pac n GLU 41 Cb 0.15 -1.87 -0.11 0.00 1.43 0.00 0.00 31.44 31.04 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 2.04 -0.02 -0.01 -1.84 0.00 -1.99 -1.90 119.26 115.53 2pac h ALA 42 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2pac h ALA 42 Cb 0.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2pac h ALA 42 CO 0.00 -0.13 0.00 0.39 0.00 0.00 0.00 179.25 179.51 2pac n GLU 43 N -4.74 1.19 0.07 0.00 1.02 -0.36 -2.60 120.64 115.22 2pac n GLU 43 Ca -0.09 -0.27 -0.20 0.00 -0.02 0.00 0.00 57.16 56.58 2pac n GLU 43 Cb 0.36 -1.46 -0.15 0.00 -0.02 0.00 0.00 31.44 30.17 2pac n GLU 43 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2pac h LEU 44 N 0.65 0.51 -1.14 -4.62 7.12 -0.14 -2.96 115.31 114.72 2pac h LEU 44 Ca 0.00 -0.72 -0.02 0.00 0.13 0.00 0.00 57.88 57.27 2pac h LEU 44 Cb 0.14 -0.16 -0.00 0.00 -0.53 0.00 0.00 40.66 40.10 2pac h LEU 44 CO 0.00 1.61 -0.08 0.00 -0.13 0.00 0.00 178.44 179.84 2pac h ALA 45 N 0.32 1.00 0.00 1.25 0.00 -1.08 -2.41 119.26 118.34 2pac h ALA 45 Ca -0.29 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2pac h ALA 45 Cb 2.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.84 2pac h ALA 45 CO 0.17 0.09 -0.25 -0.56 0.00 0.00 0.00 179.25 178.71 2pac h GLN 46 N 0.00 0.00 0.15 0.00 3.07 -1.49 -2.66 115.11 114.18 2pac h GLN 46 Ca -0.00 0.00 -0.33 0.00 0.09 0.00 0.00 58.65 58.41 2pac h GLN 46 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.22 2pac h GLN 46 CO 0.01 0.00 -1.65 0.00 0.09 0.00 0.00 178.83 177.28 2pac h ARG 47 N 0.00 0.32 0.00 0.06 3.08 -1.28 0.12 114.38 116.68 2pac h ARG 47 Ca 0.00 -0.55 0.00 0.00 0.07 0.00 0.00 59.98 59.50 2pac h ARG 47 Cb 0.96 0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.21 2pac h ARG 47 CO 0.00 1.21 0.00 0.44 -1.07 0.00 0.00 179.97 180.55 2pac n ILE 48 N -3.51 0.15 -0.18 2.04 -5.35 -0.95 0.23 119.36 111.79 2pac n ILE 48 Ca -0.21 0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 2pac n ILE 48 Cb 1.06 -0.60 0.00 0.00 -1.74 0.00 0.00 39.64 38.36 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 -1.31 1.88 0.00 6.28 3.00 -1.00 -4.76 118.16 122.25 2pac n LYS 49 Ca 0.12 -0.17 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 2pac n LYS 49 Cb 0.22 -0.58 0.00 0.00 0.00 0.00 0.00 35.03 34.67 2pac n LYS 49 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2pac n ASN 50 N -0.32 0.20 -0.26 3.14 2.85 0.40 -1.56 115.26 119.71 2pac n ASN 50 Ca 0.00 -1.05 0.01 0.00 -0.11 0.00 0.00 54.58 53.42 2pac n ASN 50 Cb 0.04 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.06 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 -0.03 -2.93 0.00 8.20 0.00 0.14 -4.24 105.19 106.33 2pac n GLY 51 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.75 2pac n GLY 51 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2pac n SER 52 N -1.89 0.05 -3.15 1.61 7.64 -1.25 -4.59 113.62 112.05 2pac n SER 52 Ca -0.00 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.93 2pac n SER 52 Cb 0.09 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.29 2pac n SER 52 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2pac s GLN 53 N 3.52 0.13 -0.03 1.43 -0.44 -1.26 -4.64 119.66 118.36 2pac s GLN 53 Ca 0.00 0.13 -0.01 0.00 -2.50 0.00 0.00 55.36 52.98 2pac s GLN 53 Cb 0.00 0.06 0.00 0.00 -1.64 0.00 0.00 33.01 31.43 2pac s GLN 53 CO 0.00 -0.23 0.03 0.41 0.50 0.00 0.00 175.29 175.99 2pac n GLY 54 N 5.11 -1.68 1.68 2.59 0.00 -1.26 -5.07 105.19 106.56 2pac n GLY 54 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.25 0.19 -1.62 1.61 0.31 -1.26 -4.88 118.33 112.43 2pac n VAL 55 Ca 0.01 0.06 -0.08 0.00 -0.01 0.00 0.00 64.34 64.31 2pac n VAL 55 Cb 0.02 -0.57 0.15 0.00 -0.91 0.00 0.00 33.84 32.53 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 -2.97 1.34 0.00 3.52 7.02 -1.26 -5.07 117.44 120.02 2pac n TRP 56 Ca 0.00 -1.83 0.00 0.00 -1.02 0.00 0.00 57.50 54.65 2pac n TRP 56 Cb 0.00 -0.46 0.00 0.00 -2.42 0.00 0.00 31.31 28.43 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 -1.02 -0.27 0.76 6.99 0.00 -1.26 -5.03 105.19 105.37 2pac n GLY 57 Ca 0.34 -1.98 -0.06 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.76 -3.04 1.61 -0.04 -1.26 -4.27 135.00 127.23 2pac n PRO 58 Ca 0.00 -0.40 -0.16 0.00 -0.04 0.00 0.00 63.50 62.90 2pac n PRO 58 Cb 0.00 -0.30 0.02 0.00 -0.04 0.00 0.00 33.50 33.17 2pac n PRO 58 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2pac n ILE 59 N -2.64 -9.17 -1.77 0.52 -0.00 -1.26 -4.98 119.36 100.07 2pac n ILE 59 Ca 0.03 0.64 -0.29 0.00 -0.00 0.00 0.00 62.75 63.13 2pac n ILE 59 Cb 0.12 -6.29 0.15 0.00 -0.00 0.00 0.00 39.64 33.62 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 -2.62 0.98 0.09 0.38 0.04 -1.26 -4.98 135.00 127.63 2pac s PRO 60 Ca 0.27 -0.08 -0.30 0.00 0.04 0.00 0.00 61.00 60.93 2pac s PRO 60 Cb -0.06 -1.85 -0.06 0.00 0.04 0.00 0.00 34.50 32.57 2pac s PRO 60 CO 0.80 -2.24 1.10 1.41 0.04 0.00 0.00 177.00 178.12 2pac s MET 61 N -5.63 4.53 0.27 4.56 -2.45 -1.26 -4.96 119.30 114.37 2pac s MET 61 Ca 0.68 1.65 -0.30 0.00 -1.25 0.00 0.00 55.69 56.47 2pac s MET 61 Cb -0.09 -3.35 -0.12 0.00 1.25 0.00 0.00 34.83 32.52 2pac s MET 61 CO 0.52 -0.07 1.49 -0.35 1.05 0.00 0.00 175.02 177.65 2pac n PRO 62 N 3.36 2.36 -2.25 4.11 -0.04 -1.26 -3.87 135.00 137.41 2pac n PRO 62 Ca 0.06 0.84 -0.40 0.00 -0.04 0.00 0.00 63.50 63.96 2pac n PRO 62 Cb 0.47 -2.55 -0.03 0.00 -0.04 0.00 0.00 33.50 31.35 2pac n PRO 62 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2pac s PRO 63 N -0.59 2.86 0.00 0.54 0.04 -1.26 -3.91 135.00 132.67 2pac s PRO 63 Ca 0.65 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.96 2pac s PRO 63 Cb -0.57 -4.30 0.00 0.00 0.04 0.00 0.00 34.50 29.67 2pac s PRO 63 CO 0.50 -2.49 0.00 -1.71 0.04 0.00 0.00 177.00 173.34 2pac n ASN 64 N 11.37 -1.29 -3.25 6.66 4.05 -0.60 -4.84 115.26 127.36 2pac n ASN 64 Ca 0.13 -0.27 -0.04 0.00 0.45 0.00 0.00 54.58 54.85 2pac n ASN 64 Cb 0.51 0.00 -0.04 0.00 1.23 0.00 0.00 39.78 41.48 2pac n ASN 64 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2pac s ALA 65 N -2.60 -1.65 0.00 5.20 0.00 -1.23 -4.54 121.76 116.93 2pac s ALA 65 Ca 0.00 0.87 0.00 0.00 0.00 0.00 0.00 51.96 52.83 2pac s ALA 65 Cb 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 21.00 2pac s ALA 65 CO 0.00 -1.59 0.00 0.28 0.00 0.00 0.00 175.76 174.45 2pac n VAL 66 N 5.39 0.00 0.00 0.00 0.31 -1.26 -5.15 118.33 117.61 2pac n VAL 66 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2pac n VAL 66 Cb 0.51 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.44 2pac n VAL 66 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2pac n SER 67 N 0.00 0.00 -2.65 4.52 7.64 -1.26 -5.06 113.62 116.81 2pac n SER 67 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 2pac n SER 67 Cb 0.00 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.26 2pac n SER 67 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2pac n ASP 68 N 0.00 -1.07 0.10 6.43 -0.08 -1.26 -5.01 116.55 115.66 2pac n ASP 68 Ca 0.00 -1.60 0.00 0.00 -1.51 0.00 0.00 54.79 51.68 2pac n ASP 68 Cb 0.00 1.03 0.00 0.00 2.34 0.00 0.00 41.12 44.49 2pac n ASP 68 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2pac n ASP 69 N 0.07 -0.84 0.32 1.67 2.03 -1.26 -4.61 116.55 113.92 2pac n ASP 69 Ca -0.17 0.36 0.19 0.00 0.52 0.00 0.00 54.79 55.69 2pac n ASP 69 Cb 0.71 0.94 1.06 0.00 -0.72 0.00 0.00 41.12 43.11 2pac n ASP 69 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2pac h GLU 70 N 0.00 0.00 0.06 -0.67 4.81 -2.00 0.33 114.58 117.11 2pac h GLU 70 Ca 0.00 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.92 2pac h GLU 70 Cb 0.00 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 2pac h GLU 70 CO 0.00 0.01 -1.73 0.00 -0.73 0.00 0.00 179.01 176.56 2pac h ALA 71 N 1.99 0.56 -0.39 2.92 0.00 -1.90 -3.19 119.26 119.25 2pac h ALA 71 Ca -0.00 -1.36 0.06 0.00 0.00 0.00 0.00 54.91 53.61 2pac h ALA 71 Cb 0.03 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2pac h ALA 71 CO 0.00 1.41 0.27 1.96 0.00 0.00 0.00 179.25 182.89 2pac h GLN 72 N 0.03 0.29 0.25 0.00 4.20 -1.21 0.41 115.11 119.09 2pac h GLN 72 Ca -0.31 -0.02 -0.34 0.00 0.06 0.00 0.00 58.65 58.05 2pac h GLN 72 Cb 2.01 -0.06 0.04 0.00 0.30 0.00 0.00 27.48 29.76 2pac h GLN 72 CO 0.10 0.19 -1.49 0.00 -0.67 0.00 0.00 178.83 176.96 2pac h THR 73 N 0.30 1.26 0.00 -0.54 1.03 -1.52 -3.11 112.91 110.32 2pac h THR 73 Ca 0.17 -2.68 0.00 0.00 -0.01 0.00 0.00 66.41 63.89 2pac h THR 73 Cb 0.30 3.03 0.00 0.00 -1.07 0.00 0.00 68.15 70.41 2pac h THR 73 CO -0.04 0.81 0.00 0.18 -0.01 0.00 0.00 175.52 176.46 2pac n LEU 74 N -3.72 0.26 0.08 0.00 4.77 -0.77 -2.69 117.00 114.93 2pac n LEU 74 Ca -0.18 0.54 0.07 0.00 -0.03 0.00 0.00 56.01 56.41 2pac n LEU 74 Cb 1.10 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 41.69 2pac n LEU 74 CO 0.60 -0.16 -0.10 0.00 -1.33 0.00 0.00 177.39 176.40 2pac h ALA 75 N 2.70 0.57 0.00 -1.18 0.00 -0.25 -3.14 119.26 117.96 2pac h ALA 75 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2pac h ALA 75 Cb 0.49 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2pac h ALA 75 CO 0.00 0.39 -0.35 0.87 0.00 0.00 0.00 179.25 180.16 2pac h LYS 76 N 0.00 0.00 0.12 0.00 1.79 -1.44 -1.19 116.57 115.85 2pac h LYS 76 Ca -0.07 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.09 2pac h LYS 76 Cb 1.25 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.89 2pac h LYS 76 CO 0.02 0.00 -1.57 2.35 -1.08 0.00 0.00 179.45 179.17 2pac h TRP 77 N 0.00 0.45 0.10 -1.35 7.01 -1.63 -0.38 115.95 120.14 2pac h TRP 77 Ca 0.00 -0.33 -0.00 0.00 2.11 0.00 0.00 58.89 60.67 2pac h TRP 77 Cb 0.93 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.97 2pac h TRP 77 CO 0.00 1.40 -0.05 0.28 -2.79 0.00 0.00 178.44 177.28 2pac h VAL 78 N 0.07 1.13 0.60 2.65 2.07 -1.57 -2.06 116.25 119.14 2pac h VAL 78 Ca -0.26 -0.96 -0.03 0.00 0.82 0.00 0.00 66.70 66.28 2pac h VAL 78 Cb 2.02 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 33.52 2pac h VAL 78 CO 0.16 0.23 -0.32 0.25 0.02 0.00 0.00 177.57 177.90 2pac h LEU 79 N -0.58 -0.78 -7.45 2.57 5.85 -1.32 -3.39 115.31 110.21 2pac h LEU 79 Ca -0.01 0.03 -0.64 0.00 0.84 0.00 0.00 57.88 58.10 2pac h LEU 79 Cb 0.47 0.21 -0.41 0.00 0.37 0.00 0.00 40.66 41.31 2pac h LEU 79 CO 0.02 -0.52 -0.66 -0.94 -0.34 0.00 0.00 178.44 176.00 2pac s SER 80 N -3.35 4.41 0.00 1.25 1.04 -0.15 -4.90 113.70 112.00 2pac s SER 80 Ca -0.13 -2.73 0.00 0.00 0.48 0.00 0.00 55.95 53.57 2pac s SER 80 Cb 0.02 -1.60 0.00 0.00 0.10 0.00 0.00 66.02 64.54 2pac s SER 80 CO 0.39 -0.28 0.71 1.67 0.98 0.00 0.00 173.24 176.72 2pac n GLN 81 N 3.48 0.00 0.00 4.02 7.27 -0.77 -4.22 117.38 127.16 2pac n GLN 81 Ca 0.05 0.22 0.00 0.00 0.07 0.00 0.00 57.00 57.34 2pac n GLN 81 Cb 0.35 -1.21 0.00 0.00 2.41 0.00 0.00 30.24 31.79 2pac n GLN 81 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49