#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nhn n ALA 4 N 0.00 -1.34 -1.43 5.41 0.00 -1.26 -4.80 120.51 117.09 1nhn n ALA 4 Ca 0.00 -0.03 -0.38 0.00 0.00 0.00 0.00 53.44 53.03 1nhn n ALA 4 Cb 0.00 -0.19 0.05 0.00 0.00 0.00 0.00 19.45 19.31 1nhn n ALA 4 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1nhn n PRO 5 N -0.77 0.49 -3.24 0.00 -0.02 -1.26 -4.98 135.00 125.21 1nhn n PRO 5 Ca -0.06 0.20 -0.24 0.00 -2.02 0.00 0.00 63.50 61.37 1nhn n PRO 5 Cb 0.14 -1.76 -0.07 0.00 -0.02 0.00 0.00 33.50 31.79 1nhn n PRO 5 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1nhn n LYS 6 N -0.26 1.47 -2.70 -0.52 -0.00 -1.26 -4.99 118.16 109.89 1nhn n LYS 6 Ca 0.11 -3.79 -0.06 0.00 -0.00 0.00 0.00 58.31 54.57 1nhn n LYS 6 Cb 0.48 -1.66 0.01 0.00 -0.00 0.00 0.00 35.03 33.86 1nhn n LYS 6 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1nhn n ARG 7 N 0.99 -2.26 -0.60 -1.58 0.63 -1.26 -4.98 116.66 107.60 1nhn n ARG 7 Ca 0.25 2.03 -0.31 0.00 -0.92 0.00 0.00 57.85 58.90 1nhn n ARG 7 Cb 0.50 -5.24 0.20 0.00 0.45 0.00 0.00 32.46 28.38 1nhn n ARG 7 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1nhn n PRO 8 N -0.22 -1.76 -1.51 -0.14 -0.02 -1.26 -4.79 135.00 125.30 1nhn n PRO 8 Ca 0.10 -0.48 -0.44 0.00 -2.02 0.00 0.00 63.50 60.65 1nhn n PRO 8 Cb 0.37 -1.97 -0.06 0.00 -0.02 0.00 0.00 33.50 31.82 1nhn n PRO 8 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1nhn n PRO 9 N -3.47 1.13 -3.71 0.52 -0.02 -1.26 -4.91 135.00 123.28 1nhn n PRO 9 Ca 0.03 0.23 -0.11 0.00 -2.02 0.00 0.00 63.50 61.63 1nhn n PRO 9 Cb 0.57 -2.76 -0.11 0.00 -0.02 0.00 0.00 33.50 31.18 1nhn n PRO 9 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1nhn s SER 10 N 8.94 -0.46 0.00 2.55 0.01 -1.26 -4.57 113.70 118.91 1nhn s SER 10 Ca 1.08 0.83 0.00 0.00 1.31 0.00 0.00 55.95 59.17 1nhn s SER 10 Cb -0.63 0.75 0.00 0.00 0.21 0.00 0.00 66.02 66.35 1nhn s SER 10 CO 0.41 -0.17 0.00 0.00 0.41 0.00 0.00 173.24 173.88 1nhn n ALA 11 N 3.87 0.00 0.13 1.44 0.00 -1.26 -4.14 120.51 120.55 1nhn n ALA 11 Ca -0.21 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.22 1nhn n ALA 11 Cb 0.56 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.16 1nhn n ALA 11 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1nhn h PHE 12 N 0.00 0.00 0.95 0.00 3.57 -1.96 -3.27 116.94 116.23 1nhn h PHE 12 Ca 0.00 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 1nhn h PHE 12 Cb 0.00 0.00 0.01 0.00 2.79 0.00 0.00 35.95 38.75 1nhn h PHE 12 CO 0.00 0.64 -0.45 0.35 -2.23 0.00 0.00 178.31 176.61 1nhn h PHE 13 N 0.00 -1.18 -0.90 0.41 3.57 -1.81 -0.75 116.94 116.28 1nhn h PHE 13 Ca -0.01 -0.03 0.18 0.00 3.53 0.00 0.00 57.97 61.65 1nhn h PHE 13 Cb 1.16 0.39 -0.17 0.00 2.79 0.00 0.00 35.95 40.12 1nhn h PHE 13 CO 0.00 -0.73 -0.22 -0.07 -2.23 0.00 0.00 178.31 175.06 1nhn h LEU 14 N -1.32 -0.83 -0.76 0.59 -0.00 -1.86 1.19 115.31 112.33 1nhn h LEU 14 Ca -0.13 0.27 0.03 0.00 -0.00 0.00 0.00 57.88 58.05 1nhn h LEU 14 Cb 0.97 0.56 -0.05 0.00 -0.00 0.00 0.00 40.66 42.15 1nhn h LEU 14 CO 0.21 -0.30 0.48 0.15 -0.00 0.00 0.00 178.44 178.99 1nhn h PHE 15 N 0.00 0.90 0.00 1.13 3.57 -1.59 -1.72 116.94 119.23 1nhn h PHE 15 Ca 0.44 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.96 1nhn h PHE 15 Cb 0.67 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.11 1nhn h PHE 15 CO -0.70 0.52 0.00 0.00 -2.23 0.00 0.00 178.31 175.90 1nhn n SER 17 N -0.70 1.28 0.04 0.00 7.64 -0.14 -3.52 113.62 118.22 1nhn n SER 17 Ca 0.09 -0.07 -0.11 0.00 1.01 0.00 0.00 58.87 59.79 1nhn n SER 17 Cb 0.04 0.22 -0.13 0.00 -1.01 0.00 0.00 64.21 63.33 1nhn n SER 17 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1nhn h GLU 18 N 0.00 0.10 0.00 1.43 5.08 -1.46 -3.41 114.58 116.32 1nhn h GLU 18 Ca -0.54 -0.17 -0.36 0.00 -1.00 0.00 0.00 59.36 57.30 1nhn h GLU 18 Cb 2.00 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 31.25 1nhn h GLU 18 CO -0.03 0.93 -2.37 0.66 -1.00 0.00 0.00 179.01 177.19 1nhn n TYR 19 N -3.32 0.00 -0.21 4.33 4.02 -0.93 -4.48 117.16 116.58 1nhn n TYR 19 Ca -0.10 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.74 1nhn n TYR 19 Cb 1.01 -0.94 -0.05 0.00 -0.02 0.00 0.00 39.34 39.34 1nhn n TYR 19 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1nhn n ARG 20 N -3.12 -0.22 0.00 -0.72 1.74 -1.23 0.13 116.66 113.24 1nhn n ARG 20 Ca -0.41 0.75 0.14 0.00 -0.77 0.00 0.00 57.85 57.56 1nhn n ARG 20 Cb 0.99 -1.10 0.58 0.00 -1.02 0.00 0.00 32.46 31.91 1nhn n ARG 20 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1nhn n PRO 21 N -4.62 1.10 -0.07 5.56 -0.02 -1.26 -1.28 135.00 134.42 1nhn n PRO 21 Ca 0.01 -0.51 -0.22 0.00 -2.02 0.00 0.00 63.50 60.76 1nhn n PRO 21 Cb 0.13 -1.49 -0.12 0.00 -0.02 0.00 0.00 33.50 32.00 1nhn n PRO 21 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1nhn n LYS 22 N -0.50 0.64 -0.03 -0.52 3.00 0.12 -2.25 118.16 118.61 1nhn n LYS 22 Ca 0.17 0.43 -0.15 0.00 -0.00 0.00 0.00 58.31 58.76 1nhn n LYS 22 Cb 0.29 -1.71 -0.09 0.00 0.00 0.00 0.00 35.03 33.53 1nhn n LYS 22 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.40 176.56 1nhn h ILE 23 N -0.58 1.40 -0.78 3.15 3.07 -1.25 -2.70 117.51 119.83 1nhn h ILE 23 Ca -0.41 -1.70 0.14 0.00 1.55 0.00 0.00 64.86 64.45 1nhn h ILE 23 Cb 1.61 2.24 -0.05 0.00 -0.27 0.00 0.00 36.82 40.35 1nhn h ILE 23 CO -0.11 0.50 0.51 0.50 -1.05 0.00 0.00 178.15 178.50 1nhn h LYS 24 N -0.08 0.47 -0.90 0.16 3.64 -1.34 1.17 116.57 119.69 1nhn h LYS 24 Ca -0.02 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1nhn h LYS 24 Cb 0.97 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.64 1nhn h LYS 24 CO 0.07 0.31 0.60 0.78 -2.27 0.00 0.00 179.45 178.93 1nhn h GLY 25 N 0.48 1.27 1.19 5.01 0.00 -1.14 -0.89 103.07 108.99 1nhn h GLY 25 Ca 0.38 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1nhn h GLY 25 CO -0.13 0.47 -0.71 0.83 0.00 0.00 0.00 176.54 176.99 1nhn h GLU 26 N 1.23 0.00 -2.25 4.80 4.39 -0.33 -3.38 114.58 119.04 1nhn h GLU 26 Ca 0.33 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.43 1nhn h GLU 26 Cb -0.14 0.00 -0.42 0.00 -0.10 0.00 0.00 28.75 28.10 1nhn h GLU 26 CO -0.07 0.00 -0.57 0.72 -1.16 0.00 0.00 179.01 177.93 1nhn n HIS 27 N -2.47 3.84 0.80 4.33 8.25 0.37 -4.88 115.22 125.46 1nhn n HIS 27 Ca 0.02 -4.03 0.00 0.00 -0.26 0.00 0.00 57.72 53.45 1nhn n HIS 27 Cb 0.50 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 31.06 1nhn n HIS 27 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1nhn n PRO 28 N 0.26 0.80 0.00 -0.41 -0.04 -0.73 -2.06 135.00 132.82 1nhn n PRO 28 Ca 0.31 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 1nhn n PRO 28 Cb 0.40 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 1nhn n PRO 28 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nhn n GLY 29 N 0.28 -0.12 4.00 0.55 0.00 -1.26 -5.10 105.19 103.55 1nhn n GLY 29 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1nhn n GLY 29 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nhn s LEU 30 N -0.06 3.04 0.00 0.99 1.43 -0.87 -5.14 118.68 118.07 1nhn s LEU 30 Ca 0.00 -0.92 0.00 0.00 -1.03 0.00 0.00 54.13 52.18 1nhn s LEU 30 Cb 0.00 -1.58 0.00 0.00 0.03 0.00 0.00 46.19 44.64 1nhn s LEU 30 CO 0.00 -1.25 0.03 -1.54 0.23 0.00 0.00 176.35 173.82 1nhn n SER 31 N -2.10 2.40 -2.10 2.29 3.41 -1.26 -4.99 113.62 111.28 1nhn n SER 31 Ca 0.11 -1.85 -0.13 0.00 -0.26 0.00 0.00 58.87 56.74 1nhn n SER 31 Cb 0.62 0.11 0.26 0.00 -0.26 0.00 0.00 64.21 64.94 1nhn n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nhn n ILE 32 N -0.59 3.02 0.00 -1.33 3.06 -1.26 -2.07 119.36 120.20 1nhn n ILE 32 Ca -0.07 -1.71 0.00 0.00 -2.50 0.00 0.00 62.75 58.47 1nhn n ILE 32 Cb 0.25 -0.41 0.00 0.00 0.54 0.00 0.00 39.64 40.02 1nhn n ILE 32 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1nhn n GLY 33 N -0.49 0.00 0.13 4.50 0.00 -1.26 -4.35 105.19 103.72 1nhn n GLY 33 Ca 0.48 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.23 1nhn n GLY 33 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nhn n ASP 34 N -2.12 1.95 0.05 1.61 2.03 -1.20 -2.33 116.55 116.54 1nhn n ASP 34 Ca 0.00 0.30 0.14 0.00 0.52 0.00 0.00 54.79 55.75 1nhn n ASP 34 Cb 0.46 -0.80 0.61 0.00 -0.72 0.00 0.00 41.12 40.67 1nhn n ASP 34 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1nhn h VAL 35 N -0.86 0.87 -0.30 5.18 2.07 -1.73 0.59 116.25 122.07 1nhn h VAL 35 Ca -0.63 -0.05 -0.14 0.00 0.82 0.00 0.00 66.70 66.71 1nhn h VAL 35 Cb 1.61 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 1nhn h VAL 35 CO -0.34 0.03 -0.38 0.00 0.02 0.00 0.00 177.57 176.90 1nhn h ALA 36 N 1.80 0.77 0.03 1.67 0.00 -1.75 -0.84 119.26 120.93 1nhn h ALA 36 Ca 0.18 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1nhn h ALA 36 Cb 0.55 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1nhn h ALA 36 CO -0.02 0.65 -0.01 -0.22 0.00 0.00 0.00 179.25 179.65 1nhn h LYS 37 N 0.58 -0.03 0.51 0.00 3.64 0.45 0.44 116.57 122.16 1nhn h LYS 37 Ca 0.05 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1nhn h LYS 37 Cb 0.91 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.71 1nhn h LYS 37 CO 0.08 0.29 -0.51 0.87 -2.27 0.00 0.00 179.45 177.92 1nhn h LYS 38 N -0.37 -0.98 -0.19 1.90 6.56 -0.68 -1.70 116.57 121.11 1nhn h LYS 38 Ca -0.00 0.07 0.04 0.00 -1.06 0.00 0.00 60.65 59.70 1nhn h LYS 38 Cb 0.34 0.22 -0.04 0.00 -0.57 0.00 0.00 32.23 32.18 1nhn h LYS 38 CO 0.01 -0.65 -0.08 -0.07 -2.06 0.00 0.00 179.45 176.60 1nhn h LEU 39 N -1.01 -0.26 -0.96 2.94 3.38 -1.20 0.15 115.31 118.35 1nhn h LEU 39 Ca -0.06 0.07 0.33 0.00 0.09 0.00 0.00 57.88 58.30 1nhn h LEU 39 Cb 0.88 0.15 -0.09 0.00 0.09 0.00 0.00 40.66 41.69 1nhn h LEU 39 CO -0.06 -0.10 0.62 0.61 0.09 0.00 0.00 178.44 179.60 1nhn n GLY 40 N -1.23 -0.57 0.10 0.83 0.00 0.15 -0.88 105.19 103.60 1nhn n GLY 40 Ca -0.02 0.51 -0.15 0.00 0.00 0.00 0.00 46.02 46.36 1nhn n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1nhn n GLU 41 N -3.98 0.55 -0.31 1.61 1.02 -0.64 -4.59 120.64 114.29 1nhn n GLU 41 Ca 0.27 0.23 0.30 0.00 -0.02 0.00 0.00 57.16 57.95 1nhn n GLU 41 Cb 1.08 -1.45 0.56 0.00 -0.02 0.00 0.00 31.44 31.61 1nhn n GLU 41 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1nhn n MET 42 N -4.40 -0.06 -0.28 3.49 2.81 -0.05 -0.78 117.12 117.85 1nhn n MET 42 Ca -0.26 1.33 0.08 0.00 -1.81 0.00 0.00 57.70 57.04 1nhn n MET 42 Cb 0.63 -2.38 0.32 0.00 -0.71 0.00 0.00 33.22 31.08 1nhn n MET 42 CO 0.00 0.00 0.00 2.35 1.51 0.00 0.00 175.97 179.83 1nhn h TRP 43 N 0.00 0.91 -0.16 2.03 2.91 -1.55 0.26 115.95 120.35 1nhn h TRP 43 Ca 0.81 0.03 -0.21 0.00 1.13 0.00 0.00 58.89 60.65 1nhn h TRP 43 Cb 2.14 -0.29 0.01 0.00 -0.51 0.00 0.00 29.16 30.51 1nhn h TRP 43 CO -0.02 0.40 -0.72 -0.91 -1.03 0.00 0.00 178.44 176.16 1nhn h ASN 44 N 0.83 0.91 -0.33 2.65 2.35 -1.22 -2.96 115.58 117.81 1nhn h ASN 44 Ca 0.42 -0.62 -0.19 0.00 -0.55 0.00 0.00 56.30 55.35 1nhn h ASN 44 Cb 0.48 -0.27 -0.10 0.00 0.05 0.00 0.00 38.32 38.48 1nhn h ASN 44 CO -0.18 1.38 0.25 0.59 -1.65 0.00 0.00 177.43 177.82 1nhn n ASN 45 N -3.99 4.58 -1.53 5.81 3.02 -0.25 -4.86 115.26 118.05 1nhn n ASN 45 Ca -0.07 -2.68 0.00 0.00 -0.03 0.00 0.00 54.58 51.79 1nhn n ASN 45 Cb 0.72 -0.83 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 1nhn n ASN 45 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1nhn n THR 46 N 0.31 0.00 -0.93 3.41 5.66 -0.08 -4.90 114.28 117.74 1nhn n THR 46 Ca 0.20 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 61.26 1nhn n THR 46 Cb 0.73 -0.58 0.39 0.00 -1.55 0.00 0.00 70.33 69.32 1nhn n THR 46 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1nhn n ALA 47 N -3.00 3.94 -1.33 1.79 0.00 -1.26 -4.91 120.51 115.73 1nhn n ALA 47 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 53.44 51.45 1nhn n ALA 47 Cb 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1nhn n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nhn n ALA 48 N 0.49 -0.42 0.00 0.00 0.00 -1.26 -3.91 120.51 115.42 1nhn n ALA 48 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1nhn n ALA 48 Cb 1.21 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 20.44 1nhn n ALA 48 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1nhn n ASP 49 N -0.56 0.84 -0.22 0.00 -0.08 -1.26 -4.75 116.55 110.53 1nhn n ASP 49 Ca 0.00 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.38 1nhn n ASP 49 Cb 0.21 0.06 0.50 0.00 2.34 0.00 0.00 41.12 44.22 1nhn n ASP 49 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1nhn n ASP 50 N -1.13 0.65 0.03 1.67 8.00 -1.25 -3.01 116.55 121.52 1nhn n ASP 50 Ca 0.00 -1.52 0.01 0.00 0.71 0.00 0.00 54.79 53.99 1nhn n ASP 50 Cb 0.09 -0.04 -0.08 0.00 -0.02 0.00 0.00 41.12 41.07 1nhn n ASP 50 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1nhn n LYS 51 N -0.36 0.62 -0.35 -1.24 5.02 -1.26 -4.22 118.16 116.37 1nhn n LYS 51 Ca 0.15 0.21 0.05 0.00 -2.02 0.00 0.00 58.31 56.70 1nhn n LYS 51 Cb 0.17 -1.80 0.23 0.00 -0.02 0.00 0.00 35.03 33.60 1nhn n LYS 51 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1nhn h GLN 52 N 0.00 1.02 -0.49 1.97 1.08 -1.88 0.26 115.11 117.07 1nhn h GLN 52 Ca -0.16 -0.06 -0.11 0.00 -1.45 0.00 0.00 58.65 56.88 1nhn h GLN 52 Cb 1.55 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 28.73 1nhn h GLN 52 CO 0.04 0.68 -0.12 -1.00 -0.95 0.00 0.00 178.83 177.48 1nhn h PRO 53 N 1.05 0.90 0.07 1.46 0.13 -1.79 -3.31 132.00 130.53 1nhn h PRO 53 Ca 0.45 -0.32 -0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1nhn h PRO 53 Cb 0.32 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.38 1nhn h PRO 53 CO -0.20 0.97 -0.03 1.88 -0.23 0.00 0.00 178.00 180.39 1nhn h TYR 54 N 0.81 -0.09 -0.25 1.56 0.05 -1.60 -3.36 116.97 114.09 1nhn h TYR 54 Ca 0.13 -0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.96 1nhn h TYR 54 Cb 0.65 0.03 -0.08 0.00 1.01 0.00 0.00 36.73 38.34 1nhn h TYR 54 CO 0.04 0.45 -0.47 1.05 -1.05 0.00 0.00 178.16 178.18 1nhn h GLU 55 N -0.71 -0.44 -0.42 4.88 4.11 -0.61 0.22 114.58 121.61 1nhn h GLU 55 Ca -0.01 0.03 0.12 0.00 0.07 0.00 0.00 59.36 59.57 1nhn h GLU 55 Cb 0.58 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 1nhn h GLU 55 CO 0.02 -0.29 0.61 1.57 0.07 0.00 0.00 179.01 180.98 1nhn h LYS 56 N -0.45 0.00 0.00 1.06 5.09 -1.71 0.38 116.57 120.93 1nhn h LYS 56 Ca 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.82 1nhn h LYS 56 Cb 0.63 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.95 1nhn h LYS 56 CO -0.49 0.00 -0.26 0.87 -2.09 0.00 0.00 179.45 177.48 1nhn h LYS 57 N 0.00 0.00 -0.99 0.07 1.79 -1.12 -3.10 116.57 113.22 1nhn h LYS 57 Ca 0.20 0.00 0.22 0.00 -2.18 0.00 0.00 60.65 58.89 1nhn h LYS 57 Cb 1.41 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 31.87 1nhn h LYS 57 CO -0.00 0.01 -0.16 0.00 -1.08 0.00 0.00 179.45 178.23 1nhn n ALA 58 N -3.20 0.33 0.29 3.86 0.00 0.56 -0.04 120.51 122.31 1nhn n ALA 58 Ca -0.04 1.08 -0.18 0.00 0.00 0.00 0.00 53.44 54.30 1nhn n ALA 58 Cb 0.14 -0.69 -0.09 0.00 0.00 0.00 0.00 19.45 18.80 1nhn n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nhn h ALA 59 N 1.97 -1.04 -0.77 0.00 0.00 -0.46 -0.51 119.26 118.46 1nhn h ALA 59 Ca 0.52 -0.17 0.18 0.00 0.00 0.00 0.00 54.91 55.43 1nhn h ALA 59 Cb 0.89 0.65 -0.13 0.00 0.00 0.00 0.00 17.79 19.21 1nhn h ALA 59 CO -0.99 -1.12 0.05 -0.22 0.00 0.00 0.00 179.25 176.97 1nhn h LYS 60 N -0.95 0.12 0.94 0.00 3.64 -0.37 0.41 116.57 120.36 1nhn h LYS 60 Ca -0.05 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 1nhn h LYS 60 Cb 0.82 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.63 1nhn h LYS 60 CO -0.05 0.08 -0.45 -0.07 -2.27 0.00 0.00 179.45 176.69 1nhn h LEU 61 N 0.13 -1.07 -1.25 5.20 3.38 -0.72 -1.86 115.31 119.12 1nhn h LEU 61 Ca 0.43 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.53 1nhn h LEU 61 Cb 0.78 0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.75 1nhn h LEU 61 CO -0.66 -0.74 0.55 0.07 0.09 0.00 0.00 178.44 177.76 1nhn h LYS 62 N -1.32 0.83 0.33 1.13 2.10 -0.69 -1.89 116.57 117.07 1nhn h LYS 62 Ca -0.13 -0.05 -0.00 0.00 -2.00 0.00 0.00 60.65 58.47 1nhn h LYS 62 Cb 0.97 -0.19 -0.02 0.00 -0.90 0.00 0.00 32.23 32.09 1nhn h LYS 62 CO 0.21 0.55 -0.28 1.49 -2.00 0.00 0.00 179.45 179.43 1nhn h GLU 63 N 0.86 -0.60 -0.43 0.07 4.57 -0.89 -0.68 114.58 117.49 1nhn h GLU 63 Ca 0.39 0.04 0.09 0.00 -1.18 0.00 0.00 59.36 58.70 1nhn h GLU 63 Cb 0.36 0.14 -0.09 0.00 -0.16 0.00 0.00 28.75 29.00 1nhn h GLU 63 CO -0.15 -0.40 -0.18 1.57 -1.18 0.00 0.00 179.01 178.67 1nhn h LYS 64 N -0.62 -0.09 0.00 1.92 2.10 -0.57 -2.62 116.57 116.69 1nhn h LYS 64 Ca -0.02 0.01 0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1nhn h LYS 64 Cb 0.55 0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.88 1nhn h LYS 64 CO -0.03 -0.06 -0.24 -0.92 -2.00 0.00 0.00 179.45 176.20 1nhn h TYR 65 N -0.09 -0.70 -1.39 0.07 3.20 -0.92 0.07 116.97 117.21 1nhn h TYR 65 Ca 0.21 0.02 0.45 0.00 3.14 0.00 0.00 58.73 62.55 1nhn h TYR 65 Cb 0.41 0.31 -0.11 0.00 1.54 0.00 0.00 36.73 38.88 1nhn h TYR 65 CO -0.44 -0.26 0.93 0.39 -1.64 0.00 0.00 178.16 177.15 1nhn n GLU 66 N -3.81 -0.02 -0.08 1.82 -0.58 -0.31 0.22 120.64 117.89 1nhn n GLU 66 Ca -0.03 1.07 -0.16 0.00 -0.42 0.00 0.00 57.16 57.62 1nhn n GLU 66 Cb 0.18 -2.21 -0.13 0.00 -0.57 0.00 0.00 31.44 28.71 1nhn n GLU 66 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1nhn h LYS 67 N 0.00 0.01 -0.78 3.49 6.56 -1.14 -3.04 116.57 121.66 1nhn h LYS 67 Ca 0.80 -0.01 0.20 0.00 -1.06 0.00 0.00 60.65 60.58 1nhn h LYS 67 Cb 2.78 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 34.41 1nhn h LYS 67 CO -0.30 1.01 0.54 0.22 -2.06 0.00 0.00 179.45 178.86 1nhn h ASP 68 N -0.99 0.16 0.17 0.86 3.58 0.17 0.11 116.42 120.49 1nhn h ASP 68 Ca -0.08 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.38 1nhn h ASP 68 Cb 1.08 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.12 1nhn h ASP 68 CO -0.04 0.07 -0.08 -0.29 -2.88 0.00 0.00 179.24 176.01 1nhn h ILE 69 N 0.16 0.94 -0.90 2.25 -0.00 -0.90 0.84 117.51 119.90 1nhn h ILE 69 Ca 0.38 -0.82 0.24 0.00 -0.00 0.00 0.00 64.86 64.66 1nhn h ILE 69 Cb 1.26 1.42 -0.05 0.00 -0.00 0.00 0.00 36.82 39.45 1nhn h ILE 69 CO -0.06 0.18 0.63 0.00 -0.00 0.00 0.00 178.15 178.90 1nhn h ALA 70 N 0.05 2.63 0.09 0.18 0.00 -0.77 -0.48 119.26 120.96 1nhn h ALA 70 Ca -0.02 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1nhn h ALA 70 Cb 0.48 0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.32 1nhn h ALA 70 CO 0.04 -0.90 -0.64 0.00 0.00 0.00 0.00 179.25 177.75 1nhn h ALA 71 N 1.58 -0.04 -1.05 0.00 0.00 -0.57 -1.20 119.26 117.98 1nhn h ALA 71 Ca 0.45 -0.63 0.29 0.00 0.00 0.00 0.00 54.91 55.01 1nhn h ALA 71 Cb 1.54 0.07 -0.12 0.00 0.00 0.00 0.00 17.79 19.27 1nhn h ALA 71 CO -0.07 0.30 0.64 -0.92 0.00 0.00 0.00 179.25 179.20 1nhn h TYR 72 N -0.41 0.84 0.14 0.00 5.03 0.83 0.21 116.97 123.61 1nhn h TYR 72 Ca -0.11 0.03 -0.30 0.00 2.58 0.00 0.00 58.73 60.94 1nhn h TYR 72 Cb 1.46 -0.23 0.00 0.00 1.55 0.00 0.00 36.73 39.51 1nhn h TYR 72 CO 0.20 -0.03 -1.52 -0.09 -1.32 0.00 0.00 178.16 175.40 1nhn h ARG 73 N 0.41 0.30 -1.15 1.82 2.43 -1.51 -3.34 114.38 113.34 1nhn h ARG 73 Ca 0.67 -0.51 0.43 0.00 -0.81 0.00 0.00 59.98 59.76 1nhn h ARG 73 Cb 1.57 0.19 -0.16 0.00 -0.42 0.00 0.00 29.97 31.15 1nhn h ARG 73 CO -0.45 1.25 0.69 0.00 -1.51 0.00 0.00 179.97 179.94 1nhn h ALA 74 N 0.02 2.41 0.00 2.80 0.00 0.67 -3.38 119.26 121.78 1nhn h ALA 74 Ca -0.31 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1nhn h ALA 74 Cb 1.88 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.94 1nhn h ALA 74 CO 0.11 -1.13 0.00 0.36 0.00 0.00 0.00 179.25 178.58 1nhn n LYS 75 N -5.00 0.00 -2.44 0.00 2.85 -0.64 -0.73 118.16 112.19 1nhn n LYS 75 Ca 0.38 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.64 1nhn n LYS 75 Cb 1.35 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 35.78 1nhn n LYS 75 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1nhn n GLY 76 N 0.00 1.91 0.35 2.58 0.00 -1.26 -4.75 105.19 104.02 1nhn n GLY 76 Ca 0.00 -1.10 -0.02 0.00 0.00 0.00 0.00 46.02 44.89 1nhn n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nhn h LYS 77 N 2.18 1.15 -0.41 1.61 1.57 -1.20 0.19 116.57 121.66 1nhn h LYS 77 Ca -0.13 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1nhn h LYS 77 Cb 1.43 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1nhn h LYS 77 CO 0.19 0.83 0.00 -0.35 -0.57 0.00 0.00 179.45 179.55 1nhn n PRO 78 N -4.35 2.06 -3.13 3.15 -0.04 -1.26 -5.00 135.00 126.43 1nhn n PRO 78 Ca 0.09 -1.64 -0.10 0.00 -0.04 0.00 0.00 63.50 61.81 1nhn n PRO 78 Cb 0.08 -1.38 0.01 0.00 -0.04 0.00 0.00 33.50 32.17 1nhn n PRO 78 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1nhn n ASP 79 N 0.83 -6.79 -3.02 3.54 2.03 0.65 -4.90 116.55 108.91 1nhn n ASP 79 Ca 0.16 0.51 -0.36 0.00 0.52 0.00 0.00 54.79 55.62 1nhn n ASP 79 Cb 0.40 -2.83 0.02 0.00 -0.72 0.00 0.00 41.12 37.98 1nhn n ASP 79 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nhn n ALA 80 N 0.63 5.89 -0.95 -1.67 0.00 -1.26 -5.09 120.51 118.06 1nhn n ALA 80 Ca -0.01 -4.36 0.00 0.00 0.00 0.00 0.00 53.44 49.07 1nhn n ALA 80 Cb 0.43 -1.59 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1nhn n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50