#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 3.30 -1.00 5.41 0.00 -1.26 -5.06 120.51 121.90 1nhn n ALA 4 Ca 0.00 -2.96 0.00 0.00 0.00 0.00 0.00 53.44 50.48 1nhn n ALA 4 Cb 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1nhn n ALA 4 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1nhn n PRO 5 N -1.15 -0.06 -3.15 0.00 -0.04 -1.26 -4.83 135.00 124.50 1nhn n PRO 5 Ca 0.21 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.54 1nhn n PRO 5 Cb 0.77 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.24 1nhn n PRO 5 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1nhn n LYS 6 N -0.77 -1.86 -0.03 0.54 5.02 -1.26 -5.02 118.16 114.78 1nhn n LYS 6 Ca 0.00 1.63 -0.03 0.00 -2.02 0.00 0.00 58.31 57.89 1nhn n LYS 6 Cb 0.00 -4.65 -0.04 0.00 -0.02 0.00 0.00 35.03 30.32 1nhn n LYS 6 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1nhn n ARG 7 N -1.06 2.84 -2.42 1.97 1.85 -1.26 -5.09 116.66 113.48 1nhn n ARG 7 Ca -0.01 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.59 1nhn n ARG 7 Cb 0.54 -1.14 0.11 0.00 -1.05 0.00 0.00 32.46 30.92 1nhn n ARG 7 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1nhn s PRO 8 N -2.13 1.64 0.83 2.89 0.04 -1.26 -5.08 135.00 131.92 1nhn s PRO 8 Ca -0.03 -0.84 -0.15 0.00 0.04 0.00 0.00 61.00 60.02 1nhn s PRO 8 Cb 0.02 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 1nhn s PRO 8 CO 0.22 -1.52 -0.56 -0.35 0.04 0.00 0.00 177.00 174.82 1nhn n PRO 9 N -2.97 -0.49 -0.66 0.56 -0.04 -1.26 -4.93 135.00 125.22 1nhn n PRO 9 Ca 0.13 -0.14 0.04 0.00 -0.04 0.00 0.00 63.50 63.49 1nhn n PRO 9 Cb 0.60 -1.13 0.06 0.00 -0.04 0.00 0.00 33.50 32.99 1nhn n PRO 9 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1nhn n SER 10 N 2.14 0.98 0.00 3.54 2.88 -1.26 -4.82 113.62 117.08 1nhn n SER 10 Ca 0.00 -2.49 0.00 0.00 -1.33 0.00 0.00 58.87 55.05 1nhn n SER 10 Cb 0.40 -0.32 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 1nhn n SER 10 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nhn n ALA 11 N -0.35 0.00 0.20 -1.46 0.00 -1.26 -4.42 120.51 113.22 1nhn n ALA 11 Ca 0.07 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.61 1nhn n ALA 11 Cb 0.79 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.41 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 -0.24 0.00 3.57 -1.94 -3.22 116.94 115.12 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 38.73 1nhn h PHE 12 CO 0.00 0.17 -0.06 0.35 -2.23 0.00 0.00 178.31 176.55 1nhn h PHE 13 N 0.00 0.51 0.13 0.41 3.57 -1.93 0.16 116.94 119.79 1nhn h PHE 13 Ca -0.00 -0.11 0.02 0.00 3.53 0.00 0.00 57.97 61.41 1nhn h PHE 13 Cb 1.08 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.66 1nhn h PHE 13 CO 0.00 0.68 -0.31 -0.07 -2.23 0.00 0.00 178.31 176.38 1nhn h LEU 14 N 0.20 -0.91 -0.73 0.59 -0.00 -1.93 -0.99 115.31 111.53 1nhn h LEU 14 Ca 0.06 0.10 0.15 0.00 -0.00 0.00 0.00 57.88 58.19 1nhn h LEU 14 Cb 0.52 0.34 -0.10 0.00 -0.00 0.00 0.00 40.66 41.42 1nhn h LEU 14 CO 0.02 -0.40 0.25 0.15 -0.00 0.00 0.00 178.44 178.46 1nhn h PHE 15 N -0.54 0.41 -0.04 1.13 3.04 -1.54 -1.14 116.94 118.25 1nhn h PHE 15 Ca 0.03 0.04 0.02 0.00 3.98 0.00 0.00 57.97 62.04 1nhn h PHE 15 Cb 0.57 -0.07 -0.03 0.00 2.56 0.00 0.00 35.95 38.98 1nhn h PHE 15 CO -0.28 0.01 -0.11 0.00 -2.02 0.00 0.00 178.31 175.91 1nhn h SER 17 N -0.17 -0.97 -0.91 0.00 0.02 -0.05 0.23 113.55 111.70 1nhn h SER 17 Ca 0.05 0.10 0.26 0.00 -0.84 0.00 0.00 61.79 61.36 1nhn h SER 17 Cb 0.24 0.35 -0.15 0.00 0.14 0.00 0.00 62.40 62.98 1nhn h SER 17 CO -0.14 -0.36 0.21 -0.33 -1.14 0.00 0.00 176.83 175.06 1nhn h GLU 18 N -0.51 0.13 0.06 3.45 5.08 -1.19 -3.03 114.58 118.58 1nhn h GLU 18 Ca -0.01 -0.01 -0.36 0.00 -1.00 0.00 0.00 59.36 57.98 1nhn h GLU 18 Cb 0.49 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 1nhn h GLU 18 CO -0.15 0.09 -2.13 0.66 -1.00 0.00 0.00 179.01 176.48 1nhn n TYR 19 N -5.30 0.73 -0.26 4.33 4.02 -0.94 -4.32 117.16 115.43 1nhn n TYR 19 Ca 0.23 0.18 -0.03 0.00 -0.01 0.00 0.00 57.90 58.27 1nhn n TYR 19 Cb 0.75 -1.10 -0.01 0.00 -0.02 0.00 0.00 39.34 38.96 1nhn n TYR 19 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 1nhn n ARG 20 N -3.27 -0.20 0.05 -0.72 3.00 0.79 0.99 116.66 117.30 1nhn n ARG 20 Ca -0.33 0.99 0.13 0.00 -0.00 0.00 0.00 57.85 58.64 1nhn n ARG 20 Cb 1.04 -1.47 0.43 0.00 0.00 0.00 0.00 32.46 32.46 1nhn n ARG 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1nhn n PRO 21 N -4.91 0.14 -0.06 -0.14 -0.04 -1.26 -1.89 135.00 126.85 1nhn n PRO 21 Ca 0.05 0.09 -0.06 0.00 -0.04 0.00 0.00 63.50 63.54 1nhn n PRO 21 Cb 0.23 -1.64 -0.04 0.00 -0.04 0.00 0.00 33.50 32.00 1nhn n PRO 21 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1nhn h LYS 22 N 0.00 0.00 -0.36 0.54 3.11 0.44 -2.43 116.57 117.87 1nhn h LYS 22 Ca 0.00 0.00 -0.10 0.00 -2.81 0.00 0.00 60.65 57.74 1nhn h LYS 22 Cb 0.62 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.85 1nhn h LYS 22 CO 0.00 0.34 -0.17 -0.84 -2.81 0.00 0.00 179.45 175.97 1nhn h ILE 23 N -1.00 1.28 -0.38 2.00 3.07 -0.88 -2.06 117.51 119.55 1nhn h ILE 23 Ca -0.03 -1.29 0.05 0.00 1.55 0.00 0.00 64.86 65.15 1nhn h ILE 23 Cb 0.43 1.34 -0.02 0.00 -0.27 0.00 0.00 36.82 38.30 1nhn h ILE 23 CO -0.02 0.42 0.26 0.50 -1.05 0.00 0.00 178.15 178.27 1nhn h LYS 24 N 0.55 0.28 -0.40 0.16 3.64 -1.53 1.30 116.57 120.56 1nhn h LYS 24 Ca 0.08 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1nhn h LYS 24 Cb 0.71 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 1nhn h LYS 24 CO 0.05 0.19 0.17 0.78 -2.27 0.00 0.00 179.45 178.36 1nhn h GLY 25 N 0.29 0.61 0.44 5.01 0.00 -0.85 0.37 103.07 108.94 1nhn h GLY 25 Ca 0.17 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1nhn h GLY 25 CO -0.04 0.27 -1.18 1.18 0.00 0.00 0.00 176.54 176.78 1nhn n GLU 26 N -4.38 0.33 -2.99 4.80 -0.58 0.55 -4.40 120.64 113.96 1nhn n GLU 26 Ca 0.03 -0.03 -0.25 0.00 -0.42 0.00 0.00 57.16 56.49 1nhn n GLU 26 Cb 0.14 -1.58 -0.04 0.00 -0.57 0.00 0.00 31.44 29.39 1nhn n GLU 26 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1nhn n HIS 27 N -1.99 3.33 -0.70 -0.32 8.25 0.42 -4.89 115.22 119.31 1nhn n HIS 27 Ca 0.01 -3.97 -0.06 0.00 -0.26 0.00 0.00 57.72 53.44 1nhn n HIS 27 Cb 0.45 -0.48 -0.02 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 -0.14 1.38 0.00 -0.41 -0.04 0.02 -3.01 135.00 132.80 1nhn n PRO 28 Ca 0.30 -0.57 0.00 0.00 -0.04 0.00 0.00 63.50 63.18 1nhn n PRO 28 Cb 0.44 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 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 1.41 0.00 0.68 0.55 0.00 -1.26 -5.11 105.19 101.47 1nhn n GLY 29 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.13 1nhn n GLY 29 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1nhn n LEU 30 N -0.92 0.00 0.00 0.99 -0.00 -1.16 -5.15 117.00 110.75 1nhn n LEU 30 Ca 0.00 -0.47 -0.16 0.00 -0.00 0.00 0.00 56.01 55.38 1nhn n LEU 30 Cb 0.08 -0.04 -0.04 0.00 -0.00 0.00 0.00 43.42 43.42 1nhn n LEU 30 CO 0.00 -0.43 -0.11 -1.20 -0.00 0.00 0.00 177.39 175.65 1nhn n SER 31 N -2.47 1.86 -0.46 1.45 7.64 -1.26 -5.00 113.62 115.38 1nhn n SER 31 Ca 0.01 -2.19 0.00 0.00 1.01 0.00 0.00 58.87 57.70 1nhn n SER 31 Cb 0.11 0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1nhn n SER 31 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nhn n ILE 32 N -0.59 0.00 -0.01 0.44 3.06 -1.26 -1.37 119.36 119.63 1nhn n ILE 32 Ca -0.07 0.00 -0.01 0.00 -2.50 0.00 0.00 62.75 60.17 1nhn n ILE 32 Cb 0.34 -0.44 -0.02 0.00 0.54 0.00 0.00 39.64 40.06 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 0.06 -0.15 0.18 4.50 0.00 -1.26 -4.27 105.19 104.25 1nhn n GLY 33 Ca 0.00 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.98 1.97 -0.12 1.61 2.03 -0.79 -2.85 116.55 116.43 1nhn n ASP 34 Ca -0.04 0.09 0.06 0.00 0.52 0.00 0.00 54.79 55.42 1nhn n ASP 34 Cb 0.46 -0.54 0.38 0.00 -0.72 0.00 0.00 41.12 40.70 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 -0.44 1.05 -0.06 5.18 2.07 -1.52 0.18 116.25 122.71 1nhn h VAL 35 Ca -0.57 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 1nhn h VAL 35 Cb 1.67 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1nhn h VAL 35 CO -0.23 0.12 0.01 0.00 0.02 0.00 0.00 177.57 177.49 1nhn h ALA 36 N 1.65 0.08 -0.56 1.67 0.00 -1.74 0.70 119.26 121.07 1nhn h ALA 36 Ca 0.25 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1nhn h ALA 36 Cb 0.16 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1nhn h ALA 36 CO -0.07 -0.27 0.20 0.87 0.00 0.00 0.00 179.25 179.98 1nhn h LYS 37 N -0.14 0.83 0.63 0.00 1.57 -0.93 0.24 116.57 118.76 1nhn h LYS 37 Ca 0.02 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 1nhn h LYS 37 Cb 0.29 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 32.46 1nhn h LYS 37 CO 0.00 0.70 -0.30 -0.22 -0.57 0.00 0.00 179.45 179.06 1nhn h LYS 38 N 0.81 -0.81 -0.37 3.15 3.64 -0.55 -2.50 116.57 119.94 1nhn h LYS 38 Ca 0.19 0.06 0.07 0.00 -1.27 0.00 0.00 60.65 59.69 1nhn h LYS 38 Cb 0.20 0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 32.15 1nhn h LYS 38 CO -0.01 -0.54 -0.00 -0.07 -2.27 0.00 0.00 179.45 176.56 1nhn h LEU 39 N -1.12 -0.15 -1.33 5.20 3.38 -0.82 0.89 115.31 121.35 1nhn h LEU 39 Ca -0.09 0.09 0.46 0.00 0.09 0.00 0.00 57.88 58.43 1nhn h LEU 39 Cb 0.65 0.15 -0.13 0.00 0.09 0.00 0.00 40.66 41.42 1nhn h LEU 39 CO 0.14 -0.04 0.86 0.61 0.09 0.00 0.00 178.44 180.10 1nhn n GLY 40 N -1.26 -0.80 0.12 0.83 0.00 0.83 -1.50 105.19 103.41 1nhn n GLY 40 Ca 0.02 0.72 -0.25 0.00 0.00 0.00 0.00 46.02 46.51 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 -4.59 0.57 -0.33 1.61 -0.58 -0.31 -4.38 120.64 112.63 1nhn n GLU 41 Ca 0.39 0.35 0.25 0.00 -0.42 0.00 0.00 57.16 57.72 1nhn n GLU 41 Cb 1.51 -1.56 0.49 0.00 -0.57 0.00 0.00 31.44 31.31 1nhn n GLU 41 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 1nhn h MET 42 N -1.00 0.27 0.35 3.49 2.86 0.22 -1.58 114.93 119.54 1nhn h MET 42 Ca -0.54 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.07 1nhn h MET 42 Cb 1.45 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 33.05 1nhn h MET 42 CO -0.33 0.18 -0.17 2.35 1.06 0.00 0.00 176.91 180.01 1nhn h TRP 43 N 0.28 -0.43 -0.51 -0.22 2.91 -1.59 -1.48 115.95 114.91 1nhn h TRP 43 Ca 0.75 -0.01 0.10 0.00 1.13 0.00 0.00 58.89 60.86 1nhn h TRP 43 Cb 1.75 0.14 -0.08 0.00 -0.51 0.00 0.00 29.16 30.46 1nhn h TRP 43 CO -0.01 -0.20 -0.00 -0.91 -1.03 0.00 0.00 178.44 176.29 1nhn h ASN 44 N -0.59 -0.22 -0.72 2.65 2.35 -1.52 -1.21 115.58 116.33 1nhn h ASN 44 Ca -0.05 0.12 -0.43 0.00 -0.55 0.00 0.00 56.30 55.39 1nhn h ASN 44 Cb 0.43 0.22 -0.18 0.00 0.05 0.00 0.00 38.32 38.84 1nhn h ASN 44 CO 0.08 -0.08 0.51 -3.20 -1.65 0.00 0.00 177.43 173.10 1nhn n ASN 45 N -5.24 6.73 -0.41 5.81 5.15 -0.80 -4.88 115.26 121.61 1nhn n ASN 45 Ca 0.06 -3.24 0.00 0.00 -0.60 0.00 0.00 54.58 50.79 1nhn n ASN 45 Cb 0.27 -1.08 0.00 0.00 -0.53 0.00 0.00 39.78 38.45 1nhn n ASN 45 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1nhn n THR 46 N 0.20 0.00 -1.05 -0.44 5.66 -0.46 -4.86 114.28 113.33 1nhn n THR 46 Ca 0.40 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 61.46 1nhn n THR 46 Cb 0.58 0.00 0.27 0.00 -1.55 0.00 0.00 70.33 69.63 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 3.37 -0.24 1.79 0.00 -1.26 -4.96 120.51 116.21 1nhn n ALA 47 Ca 0.00 -2.38 0.00 0.00 0.00 0.00 0.00 53.44 51.06 1nhn n ALA 47 Cb 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 -0.46 0.00 0.00 0.00 0.00 -1.26 -3.83 120.51 114.97 1nhn n ALA 48 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1nhn n ALA 48 Cb 0.98 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.37 1nhn n ALA 48 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1nhn n ASP 49 N 1.74 0.63 -1.08 0.00 8.00 -1.26 -4.68 116.55 119.89 1nhn n ASP 49 Ca 0.00 -0.14 0.11 0.00 0.71 0.00 0.00 54.79 55.46 1nhn n ASP 49 Cb 0.00 0.41 0.21 0.00 -0.02 0.00 0.00 41.12 41.72 1nhn n ASP 49 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1nhn n ASP 50 N -0.48 3.38 -0.10 -2.24 9.92 -1.25 -4.10 116.55 121.68 1nhn n ASP 50 Ca 0.00 -1.96 -0.10 0.00 -0.53 0.00 0.00 54.79 52.20 1nhn n ASP 50 Cb 0.00 -0.26 -0.16 0.00 -0.64 0.00 0.00 41.12 40.06 1nhn n ASP 50 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1nhn n LYS 51 N 1.36 0.69 -0.33 -1.24 5.02 -1.26 -4.44 118.16 117.97 1nhn n LYS 51 Ca 0.18 -0.01 0.21 0.00 -2.02 0.00 0.00 58.31 56.68 1nhn n LYS 51 Cb 0.57 -1.52 0.41 0.00 -0.02 0.00 0.00 35.03 34.47 1nhn n LYS 51 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1nhn n GLN 52 N -2.74 -0.07 0.46 1.97 1.13 -1.26 -0.39 117.38 116.48 1nhn n GLN 52 Ca -0.33 1.41 -0.19 0.00 -1.94 0.00 0.00 57.00 55.95 1nhn n GLN 52 Cb 1.15 -2.36 -0.09 0.00 0.11 0.00 0.00 30.24 29.05 1nhn n GLN 52 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 1nhn h PRO 53 N 0.00 -1.12 -0.81 -1.09 0.11 -1.85 -1.35 132.00 125.90 1nhn h PRO 53 Ca 0.69 0.08 0.18 0.00 0.11 0.00 0.00 66.00 67.06 1nhn h PRO 53 Cb 1.63 0.25 -0.15 0.00 0.11 0.00 0.00 31.00 32.84 1nhn h PRO 53 CO -0.85 -0.74 -0.08 1.88 -0.21 0.00 0.00 178.00 178.00 1nhn h TYR 54 N -1.18 -0.21 0.40 0.65 -1.99 -1.01 0.16 116.97 113.79 1nhn h TYR 54 Ca -0.12 0.07 -0.02 0.00 2.00 0.00 0.00 58.73 60.66 1nhn h TYR 54 Cb 0.89 0.22 -0.01 0.00 2.00 0.00 0.00 36.73 39.84 1nhn h TYR 54 CO -0.01 -0.31 -0.29 0.93 -0.00 0.00 0.00 178.16 178.48 1nhn h GLU 55 N 0.05 -0.64 -1.08 4.88 4.39 -0.58 0.37 114.58 121.98 1nhn h GLU 55 Ca 0.43 0.04 0.43 0.00 0.34 0.00 0.00 59.36 60.60 1nhn h GLU 55 Cb 0.73 0.14 -0.17 0.00 -0.10 0.00 0.00 28.75 29.36 1nhn h GLU 55 CO -0.77 -0.42 0.61 0.87 -1.16 0.00 0.00 179.01 178.13 1nhn h LYS 56 N -0.66 0.00 0.11 2.33 1.57 0.17 0.16 116.57 120.26 1nhn h LYS 56 Ca -0.05 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1nhn h LYS 56 Cb 0.54 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1nhn h LYS 56 CO 0.03 0.00 -0.05 0.87 -0.57 0.00 0.00 179.45 179.73 1nhn h LYS 57 N 0.00 -0.14 -1.04 3.15 1.79 -0.70 -0.76 116.57 118.87 1nhn h LYS 57 Ca 0.86 0.01 0.30 0.00 -2.18 0.00 0.00 60.65 59.64 1nhn h LYS 57 Cb 2.37 0.03 -0.13 0.00 -1.58 0.00 0.00 32.23 32.92 1nhn h LYS 57 CO -0.71 -0.10 0.62 0.00 -1.08 0.00 0.00 179.45 178.18 1nhn h ALA 58 N -1.68 2.04 0.36 3.86 0.00 -0.30 -0.53 119.26 123.01 1nhn h ALA 58 Ca -0.02 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1nhn h ALA 58 Cb 0.11 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1nhn h ALA 58 CO 0.03 -0.58 -0.17 0.00 0.00 0.00 0.00 179.25 178.52 1nhn h ALA 59 N 1.76 -0.49 -0.85 0.00 0.00 -0.80 -1.24 119.26 117.65 1nhn h ALA 59 Ca 0.70 -0.18 0.20 0.00 0.00 0.00 0.00 54.91 55.63 1nhn h ALA 59 Cb 1.62 0.19 -0.15 0.00 0.00 0.00 0.00 17.79 19.45 1nhn h ALA 59 CO -0.50 -0.53 -0.04 -0.22 0.00 0.00 0.00 179.25 177.96 1nhn h LYS 60 N -0.97 0.06 -0.06 0.00 3.11 0.41 0.16 116.57 119.28 1nhn h LYS 60 Ca -0.05 -0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.75 1nhn h LYS 60 Cb 0.52 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.74 1nhn h LYS 60 CO 0.08 0.04 -0.10 -0.07 -2.81 0.00 0.00 179.45 176.59 1nhn h LEU 61 N 0.06 0.18 -0.78 5.20 3.38 -1.31 -2.84 115.31 119.20 1nhn h LEU 61 Ca 0.47 -0.55 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 1nhn h LEU 61 Cb 0.84 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1nhn h LEU 61 CO -0.79 0.70 -0.28 0.07 0.09 0.00 0.00 178.44 178.24 1nhn h LYS 62 N -0.32 0.61 0.33 1.13 5.09 -0.58 -2.86 116.57 119.96 1nhn h LYS 62 Ca 0.00 -0.25 -0.01 0.00 0.09 0.00 0.00 60.65 60.48 1nhn h LYS 62 Cb 0.66 -0.02 -0.01 0.00 0.10 0.00 0.00 32.23 32.96 1nhn h LYS 62 CO 0.02 0.82 -0.27 1.49 -2.09 0.00 0.00 179.45 179.43 1nhn h GLU 63 N 0.53 -0.56 -0.99 0.07 4.22 -0.77 0.73 114.58 117.80 1nhn h GLU 63 Ca 0.07 0.04 0.22 0.00 0.08 0.00 0.00 59.36 59.77 1nhn h GLU 63 Cb 0.75 0.13 -0.09 0.00 0.50 0.00 0.00 28.75 30.03 1nhn h GLU 63 CO 0.06 -0.37 0.63 1.57 -2.18 0.00 0.00 179.01 178.71 1nhn h LYS 64 N -0.58 0.53 0.48 1.92 2.10 -1.54 -2.02 116.57 117.47 1nhn h LYS 64 Ca -0.04 -0.03 -0.02 0.00 -2.00 0.00 0.00 60.65 58.55 1nhn h LYS 64 Cb 0.49 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 1nhn h LYS 64 CO -0.00 0.35 -0.23 -0.92 -2.00 0.00 0.00 179.45 176.65 1nhn h TYR 65 N 0.55 -0.60 -0.87 0.07 3.20 -1.16 -2.64 116.97 115.53 1nhn h TYR 65 Ca 0.56 -0.01 0.30 0.00 3.14 0.00 0.00 58.73 62.72 1nhn h TYR 65 Cb 1.18 0.20 -0.09 0.00 1.54 0.00 0.00 36.73 39.56 1nhn h TYR 65 CO -0.00 -0.37 0.55 0.39 -1.64 0.00 0.00 178.16 177.08 1nhn n GLU 66 N -3.81 -0.02 0.09 1.82 1.02 0.19 0.59 120.64 120.51 1nhn n GLU 66 Ca -0.08 0.81 -0.10 0.00 -0.02 0.00 0.00 57.16 57.76 1nhn n GLU 66 Cb 0.26 -1.58 -0.07 0.00 -0.02 0.00 0.00 31.44 30.03 1nhn n GLU 66 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1nhn h LYS 67 N 0.00 -0.29 0.00 3.49 6.56 -1.36 0.29 116.57 125.27 1nhn h LYS 67 Ca 0.56 0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 60.17 1nhn h LYS 67 Cb 1.79 0.07 -0.00 0.00 -0.57 0.00 0.00 32.23 33.52 1nhn h LYS 67 CO -0.31 0.08 -0.02 0.22 -2.06 0.00 0.00 179.45 177.35 1nhn h ASP 68 N -0.91 0.00 0.51 0.86 3.58 0.49 0.69 116.42 121.64 1nhn h ASP 68 Ca -0.03 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.26 1nhn h ASP 68 Cb 0.50 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 1nhn h ASP 68 CO 0.05 0.02 -0.69 0.40 -2.88 0.00 0.00 179.24 176.14 1nhn h ILE 69 N 0.00 1.44 -0.94 2.25 1.08 -0.26 -1.58 117.51 119.50 1nhn h ILE 69 Ca -0.00 -2.24 0.04 0.00 -0.39 0.00 0.00 64.86 62.27 1nhn h ILE 69 Cb 0.22 2.19 -0.06 0.00 -3.07 0.00 0.00 36.82 36.10 1nhn h ILE 69 CO 0.00 0.65 0.61 0.00 -0.69 0.00 0.00 178.15 178.73 1nhn h ALA 70 N 1.17 1.24 0.00 1.87 0.00 0.13 0.35 119.26 124.03 1nhn h ALA 70 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1nhn h ALA 70 Cb 1.23 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1nhn h ALA 70 CO 0.10 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.84 1nhn h ALA 71 N 1.39 1.00 -0.00 0.00 0.00 -1.11 -1.52 119.26 119.01 1nhn h ALA 71 Ca 0.37 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 1nhn h ALA 71 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1nhn h ALA 71 CO -0.12 0.00 -0.01 -0.92 0.00 0.00 0.00 179.25 178.20 1nhn h TYR 72 N 0.00 0.02 -0.28 0.00 3.20 0.30 -3.28 116.97 116.93 1nhn h TYR 72 Ca 0.00 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1nhn h TYR 72 Cb 0.55 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 1nhn h TYR 72 CO 0.00 0.70 0.15 0.00 -1.64 0.00 0.00 178.16 177.37 1nhn h ARG 73 N -0.67 0.40 -0.29 1.82 3.08 -1.13 -3.20 114.38 114.38 1nhn h ARG 73 Ca -0.00 -0.05 0.11 0.00 0.07 0.00 0.00 59.98 60.11 1nhn h ARG 73 Cb 0.71 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.64 1nhn h ARG 73 CO 0.00 0.36 0.17 0.00 -1.07 0.00 0.00 179.97 179.44 1nhn n ALA 74 N -2.23 0.30 -0.28 0.04 0.00 -0.58 -4.73 120.51 113.03 1nhn n ALA 74 Ca -0.02 0.24 -0.09 0.00 0.00 0.00 0.00 53.44 53.58 1nhn n ALA 74 Cb 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.28 1nhn n ALA 74 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1nhn n LYS 75 N -3.40 0.00 0.00 0.00 0.00 -1.21 -4.05 118.16 109.49 1nhn n LYS 75 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.41 1nhn n LYS 75 Cb 0.36 -0.22 0.00 0.00 0.00 0.00 0.00 35.03 35.17 1nhn n LYS 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1nhn n GLY 76 N 0.56 3.33 0.46 3.14 0.00 -1.26 -4.93 105.19 106.48 1nhn n GLY 76 Ca 0.02 -1.05 -0.16 0.00 0.00 0.00 0.00 46.02 44.83 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 0.00 -0.78 0.00 1.61 1.79 -1.97 -2.64 116.57 114.58 1nhn h LYS 77 Ca 0.00 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1nhn h LYS 77 Cb 0.00 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1nhn h LYS 77 CO 0.00 -0.52 0.00 -1.00 -1.08 0.00 0.00 179.45 176.85 1nhn h PRO 78 N -0.81 0.00 -2.71 3.15 0.13 -1.91 -3.49 132.00 126.37 1nhn h PRO 78 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1nhn h PRO 78 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1nhn h PRO 78 CO -0.17 0.00 -0.20 -3.47 -0.23 0.00 0.00 178.00 173.93 1nhn n ASP 79 N -2.65 -2.71 -4.01 1.44 -0.08 -1.00 -2.63 116.55 104.91 1nhn n ASP 79 Ca 0.02 0.26 -0.33 0.00 -1.51 0.00 0.00 54.79 53.23 1nhn n ASP 79 Cb 0.33 -0.59 -0.02 0.00 2.34 0.00 0.00 41.12 43.18 1nhn n ASP 79 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1nhn n ALA 80 N 1.18 -2.12 -0.54 -1.67 0.00 -1.26 -5.08 120.51 111.03 1nhn n ALA 80 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1nhn n ALA 80 Cb 0.10 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.06 1nhn n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50