#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 -0.09 -1.00 -2.53 0.00 -1.26 -4.95 120.51 110.68 1nhn n ALA 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1nhn n ALA 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.69 -1.16 -3.07 0.00 -0.04 -1.26 -4.75 135.00 123.03 1nhn n PRO 5 Ca 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.41 1nhn n PRO 5 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 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 -1.49 -1.65 -0.07 0.54 5.02 -1.26 -5.02 118.16 114.22 1nhn n LYS 6 Ca 0.00 1.62 -0.14 0.00 -2.02 0.00 0.00 58.31 57.77 1nhn n LYS 6 Cb 0.00 -5.38 -0.05 0.00 -0.02 0.00 0.00 35.03 29.58 1nhn n LYS 6 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1nhn n ARG 7 N -1.37 0.32 -2.25 1.97 3.00 -1.26 -5.07 116.66 112.00 1nhn n ARG 7 Ca 0.01 0.14 -0.26 0.00 -0.00 0.00 0.00 57.85 57.74 1nhn n ARG 7 Cb 0.51 -1.05 0.08 0.00 0.00 0.00 0.00 32.46 32.01 1nhn n ARG 7 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1nhn s PRO 8 N -2.33 1.97 0.80 -0.14 0.04 -1.26 -5.08 135.00 129.01 1nhn s PRO 8 Ca -0.21 -0.42 -0.13 0.00 0.04 0.00 0.00 61.00 60.28 1nhn s PRO 8 Cb 0.07 -2.18 0.20 0.00 0.04 0.00 0.00 34.50 32.64 1nhn s PRO 8 CO 0.27 -1.37 0.46 -0.35 0.04 0.00 0.00 177.00 176.05 1nhn n PRO 9 N -2.97 -3.34 -0.19 0.56 -0.04 -1.26 -4.92 135.00 122.83 1nhn n PRO 9 Ca 0.10 -0.78 0.04 0.00 -0.04 0.00 0.00 63.50 62.82 1nhn n PRO 9 Cb 0.60 -1.04 0.05 0.00 -0.04 0.00 0.00 33.50 33.07 1nhn n PRO 9 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1nhn n SER 10 N -4.26 1.18 0.00 3.54 3.41 -1.26 -4.87 113.62 111.36 1nhn n SER 10 Ca 0.07 -2.26 0.00 0.00 -0.26 0.00 0.00 58.87 56.43 1nhn n SER 10 Cb 0.32 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1nhn n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nhn n ALA 11 N -0.61 0.00 0.09 7.33 0.00 -1.26 -4.50 120.51 121.56 1nhn n ALA 11 Ca 0.06 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.42 1nhn n ALA 11 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 0.24 -0.82 0.00 3.57 -1.94 -3.23 116.94 114.76 1nhn h PHE 12 Ca 0.00 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.35 1nhn h PHE 12 Cb 0.00 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 1nhn h PHE 12 CO 0.00 0.93 0.44 0.35 -2.23 0.00 0.00 178.31 177.81 1nhn h PHE 13 N 0.09 1.14 0.39 0.41 3.57 -1.93 0.57 116.94 121.18 1nhn h PHE 13 Ca -0.04 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 1nhn h PHE 13 Cb 1.47 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 1nhn h PHE 13 CO 0.02 0.80 -0.38 -0.07 -2.23 0.00 0.00 178.31 176.45 1nhn h LEU 14 N 1.15 -1.04 -0.82 0.59 -0.00 -1.94 -2.27 115.31 110.98 1nhn h LEU 14 Ca 0.29 0.08 0.20 0.00 -0.00 0.00 0.00 57.88 58.45 1nhn h LEU 14 Cb 0.04 0.34 -0.14 0.00 -0.00 0.00 0.00 40.66 40.91 1nhn h LEU 14 CO -0.05 -0.51 0.13 0.15 -0.00 0.00 0.00 178.44 178.17 1nhn h PHE 15 N -0.77 0.17 0.04 1.13 3.57 -1.55 -2.30 116.94 117.24 1nhn h PHE 15 Ca -0.05 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1nhn h PHE 15 Cb 0.66 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 1nhn h PHE 15 CO -0.20 -0.21 -0.13 0.00 -2.23 0.00 0.00 178.31 175.54 1nhn n SER 17 N -3.15 -0.38 -0.18 0.00 2.88 -0.88 -0.55 113.62 111.36 1nhn n SER 17 Ca -0.02 0.91 0.28 0.00 -1.33 0.00 0.00 58.87 58.71 1nhn n SER 17 Cb 0.10 -0.22 0.71 0.00 -0.75 0.00 0.00 64.21 64.06 1nhn n SER 17 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1nhn h GLU 18 N 0.00 0.02 0.00 -1.46 5.08 -1.44 -3.03 114.58 113.76 1nhn h GLU 18 Ca 0.06 -0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.08 1nhn h GLU 18 Cb 0.15 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.33 1nhn h GLU 18 CO -0.34 0.01 -2.26 0.66 -1.00 0.00 0.00 179.01 176.09 1nhn n TYR 19 N -4.28 0.00 -0.13 4.33 4.02 0.29 -4.66 117.16 116.72 1nhn n TYR 19 Ca 0.18 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 58.04 1nhn n TYR 19 Cb 0.94 -0.88 -0.03 0.00 -0.02 0.00 0.00 39.34 39.35 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 -2.91 -0.14 0.00 -0.72 1.74 0.07 0.03 116.66 114.72 1nhn n ARG 20 Ca -0.35 0.61 0.15 0.00 -0.77 0.00 0.00 57.85 57.49 1nhn n ARG 20 Cb 1.00 -0.90 0.84 0.00 -1.02 0.00 0.00 32.46 32.38 1nhn n ARG 20 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1nhn n PRO 21 N -3.95 0.67 -0.11 5.56 -0.04 -1.26 -1.05 135.00 134.81 1nhn n PRO 21 Ca 0.01 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.23 1nhn n PRO 21 Cb 0.08 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 31.93 1nhn n PRO 21 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1nhn n LYS 22 N -1.16 0.58 -0.06 0.54 4.81 0.10 -1.88 118.16 121.08 1nhn n LYS 22 Ca 0.18 0.49 -0.14 0.00 -0.87 0.00 0.00 58.31 57.97 1nhn n LYS 22 Cb 0.18 -1.68 -0.06 0.00 0.02 0.00 0.00 35.03 33.49 1nhn n LYS 22 CO 0.00 0.00 0.00 -0.84 1.17 0.00 0.00 177.40 177.73 1nhn h ILE 23 N -0.96 1.34 -0.10 3.15 3.07 -1.38 -2.15 117.51 120.48 1nhn h ILE 23 Ca -0.44 -1.46 -0.00 0.00 1.55 0.00 0.00 64.86 64.50 1nhn h ILE 23 Cb 1.41 1.85 -0.01 0.00 -0.27 0.00 0.00 36.82 39.81 1nhn h ILE 23 CO -0.26 0.44 0.06 0.50 -1.05 0.00 0.00 178.15 177.84 1nhn h LYS 24 N 0.15 0.13 -0.31 0.16 3.64 -1.26 0.83 116.57 119.91 1nhn h LYS 24 Ca 0.02 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1nhn h LYS 24 Cb 0.82 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 1nhn h LYS 24 CO 0.06 0.10 0.21 0.78 -2.27 0.00 0.00 179.45 178.33 1nhn h GLY 25 N 0.16 0.37 0.16 5.01 0.00 -0.72 -0.83 103.07 107.21 1nhn h GLY 25 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1nhn h GLY 25 CO -0.01 0.12 -1.62 1.18 0.00 0.00 0.00 176.54 176.21 1nhn n GLU 26 N -4.49 0.50 -2.91 4.80 -0.58 0.27 -4.51 120.64 113.72 1nhn n GLU 26 Ca 0.02 -0.11 -0.27 0.00 -0.42 0.00 0.00 57.16 56.38 1nhn n GLU 26 Cb 0.14 -1.55 -0.04 0.00 -0.57 0.00 0.00 31.44 29.42 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 -2.13 4.00 -0.81 -0.32 8.25 0.26 -4.85 115.22 119.63 1nhn n HIS 27 Ca -0.02 -3.92 -0.09 0.00 -0.26 0.00 0.00 57.72 53.44 1nhn n HIS 27 Cb 0.51 -0.49 -0.05 0.00 1.12 0.00 0.00 29.99 31.08 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 1.56 0.00 -0.41 -0.04 -0.49 -3.16 135.00 132.20 1nhn n PRO 28 Ca 0.32 -0.79 0.00 0.00 -0.04 0.00 0.00 63.50 62.99 1nhn n PRO 28 Cb 0.40 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 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 1.51 0.00 0.00 0.55 0.00 -1.26 -5.10 105.19 100.88 1nhn n GLY 29 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.00 0.00 -4.76 0.99 -0.00 -1.19 -5.15 117.00 105.88 1nhn n LEU 30 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.71 1nhn n LEU 30 Cb 0.13 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.48 1nhn n LEU 30 CO 0.00 -0.26 -0.20 -0.44 -0.00 0.00 0.00 177.39 176.49 1nhn s SER 31 N -0.85 4.20 -0.04 1.45 0.01 -1.26 -4.99 113.70 112.22 1nhn s SER 31 Ca 0.00 -1.50 0.02 0.00 1.31 0.00 0.00 55.95 55.78 1nhn s SER 31 Cb 0.00 0.29 0.11 0.00 0.21 0.00 0.00 66.02 66.63 1nhn s SER 31 CO 0.00 -0.81 0.79 0.00 0.41 0.00 0.00 173.24 173.63 1nhn n ILE 32 N -1.30 0.61 0.00 1.44 3.06 -1.26 -1.37 119.36 120.55 1nhn n ILE 32 Ca -0.13 -0.22 0.00 0.00 -2.50 0.00 0.00 62.75 59.90 1nhn n ILE 32 Cb 0.66 -0.58 0.00 0.00 0.54 0.00 0.00 39.64 40.27 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 0.13 0.00 0.17 4.50 0.00 -1.26 -4.33 105.19 104.40 1nhn n GLY 33 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.41 2.11 0.22 1.61 -0.08 -0.87 -2.40 116.55 115.72 1nhn n ASP 34 Ca 0.00 0.01 0.09 0.00 -1.51 0.00 0.00 54.79 53.39 1nhn n ASP 34 Cb 0.13 -0.44 0.48 0.00 2.34 0.00 0.00 41.12 43.64 1nhn n ASP 34 CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 1nhn h VAL 35 N -0.27 0.67 0.25 5.18 3.04 -1.52 0.10 116.25 123.71 1nhn h VAL 35 Ca -0.51 -1.10 -0.34 0.00 -1.01 0.00 0.00 66.70 63.75 1nhn h VAL 35 Cb 1.66 1.71 0.04 0.00 -2.01 0.00 0.00 31.29 32.68 1nhn h VAL 35 CO -0.16 0.24 -1.48 0.00 -1.01 0.00 0.00 177.57 175.15 1nhn h ALA 36 N 1.75 -0.15 -0.48 3.17 0.00 -1.74 -2.48 119.26 119.34 1nhn h ALA 36 Ca -0.00 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.04 1nhn h ALA 36 Cb 0.69 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1nhn h ALA 36 CO 0.03 0.70 0.31 -0.22 0.00 0.00 0.00 179.25 180.07 1nhn h LYS 37 N 0.13 0.64 0.15 0.00 3.64 -0.91 0.13 116.57 120.35 1nhn h LYS 37 Ca -0.26 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.09 1nhn h LYS 37 Cb 2.15 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 33.80 1nhn h LYS 37 CO 0.27 0.44 -0.32 0.87 -2.27 0.00 0.00 179.45 178.44 1nhn h LYS 38 N 0.65 -0.54 -0.29 1.90 1.79 -0.85 -0.90 116.57 118.33 1nhn h LYS 38 Ca 0.17 0.04 0.06 0.00 -2.18 0.00 0.00 60.65 58.75 1nhn h LYS 38 Cb -0.05 0.12 -0.07 0.00 -1.58 0.00 0.00 32.23 30.66 1nhn h LYS 38 CO -0.04 -0.36 -0.15 -0.07 -1.08 0.00 0.00 179.45 177.75 1nhn h LEU 39 N -0.56 -0.51 -1.75 2.94 3.38 -1.08 0.21 115.31 117.94 1nhn h LEU 39 Ca 0.02 0.12 0.54 0.00 0.09 0.00 0.00 57.88 58.65 1nhn h LEU 39 Cb 0.58 0.28 -0.10 0.00 0.09 0.00 0.00 40.66 41.50 1nhn h LEU 39 CO -0.17 -0.19 1.21 1.23 0.09 0.00 0.00 178.44 180.61 1nhn h GLY 40 N -0.12 0.57 0.00 0.83 0.00 0.49 -1.13 103.07 103.71 1nhn h GLY 40 Ca 0.15 -0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.39 1nhn h GLY 40 CO -0.36 -0.20 -0.96 1.18 0.00 0.00 0.00 176.54 176.20 1nhn n GLU 41 N -4.27 0.51 -0.37 4.80 -0.58 0.03 -4.48 120.64 116.28 1nhn n GLU 41 Ca 0.43 0.36 0.31 0.00 -0.42 0.00 0.00 57.16 57.83 1nhn n GLU 41 Cb 1.84 -1.56 0.57 0.00 -0.57 0.00 0.00 31.44 31.72 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 0.16 -0.84 3.49 2.86 0.47 0.84 114.93 120.90 1nhn h MET 42 Ca -0.08 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1nhn h MET 42 Cb 0.89 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.47 1nhn h MET 42 CO -0.05 0.10 0.55 2.35 1.06 0.00 0.00 176.91 180.92 1nhn h TRP 43 N 0.16 1.06 -0.40 -0.22 2.91 -1.49 -0.72 115.95 117.25 1nhn h TRP 43 Ca 0.79 0.02 -0.15 0.00 1.13 0.00 0.00 58.89 60.68 1nhn h TRP 43 Cb 2.14 -0.36 -0.01 0.00 -0.51 0.00 0.00 29.16 30.43 1nhn h TRP 43 CO -0.01 0.67 -0.33 -0.91 -1.03 0.00 0.00 178.44 176.83 1nhn h ASN 44 N 1.14 0.96 -0.23 2.65 2.35 -1.07 -2.66 115.58 118.71 1nhn h ASN 44 Ca 0.31 -0.41 -0.13 0.00 -0.55 0.00 0.00 56.30 55.51 1nhn h ASN 44 Cb -0.12 -0.27 -0.07 0.00 0.05 0.00 0.00 38.32 37.91 1nhn h ASN 44 CO -0.06 1.19 0.17 0.59 -1.65 0.00 0.00 177.43 177.67 1nhn n ASN 45 N -4.07 4.49 0.00 5.81 3.02 -0.35 -4.82 115.26 119.34 1nhn n ASN 45 Ca -0.01 -2.54 0.00 0.00 -0.03 0.00 0.00 54.58 52.00 1nhn n ASN 45 Cb 0.51 -0.83 0.00 0.00 -0.61 0.00 0.00 39.78 38.85 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 0.53 0.00 -3.80 3.41 5.66 -0.77 -4.92 114.28 114.40 1nhn n THR 46 Ca 0.14 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.78 1nhn n THR 46 Cb 0.65 -0.41 -0.12 0.00 -1.55 0.00 0.00 70.33 68.90 1nhn n THR 46 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1nhn s ALA 47 N -2.07 3.16 -1.79 1.79 0.00 -1.26 -4.95 121.76 116.64 1nhn s ALA 47 Ca 0.00 -1.09 0.09 0.00 0.00 0.00 0.00 51.96 50.95 1nhn s ALA 47 Cb 0.00 -2.04 0.49 0.00 0.00 0.00 0.00 23.12 21.56 1nhn s ALA 47 CO 0.00 -0.42 1.03 0.00 0.00 0.00 0.00 175.76 176.38 1nhn n ALA 48 N 4.78 1.73 0.30 0.00 0.00 -1.26 0.01 120.51 126.07 1nhn n ALA 48 Ca -0.16 -0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.29 1nhn n ALA 48 Cb 0.51 -1.14 0.10 0.00 0.00 0.00 0.00 19.45 18.92 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 -1.10 2.45 -0.11 0.00 -0.08 -1.26 -4.11 116.55 112.33 1nhn n ASP 49 Ca 0.06 -1.71 0.02 0.00 -1.51 0.00 0.00 54.79 51.65 1nhn n ASP 49 Cb 0.04 -0.09 0.01 0.00 2.34 0.00 0.00 41.12 43.41 1nhn n ASP 49 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1nhn n ASP 50 N 0.74 0.97 0.01 1.67 2.03 0.10 -4.45 116.55 117.62 1nhn n ASP 50 Ca 0.10 -0.99 -0.13 0.00 0.52 0.00 0.00 54.79 54.29 1nhn n ASP 50 Cb 0.38 0.30 -0.14 0.00 -0.72 0.00 0.00 41.12 40.94 1nhn n ASP 50 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1nhn h LYS 51 N 0.53 0.11 -0.96 -0.67 1.57 -1.63 -3.38 116.57 112.15 1nhn h LYS 51 Ca 0.00 -0.19 0.40 0.00 -1.87 0.00 0.00 60.65 58.99 1nhn h LYS 51 Cb 0.14 0.07 -0.17 0.00 0.08 0.00 0.00 32.23 32.35 1nhn h LYS 51 CO 0.00 0.82 0.52 1.04 -0.57 0.00 0.00 179.45 181.26 1nhn n GLN 52 N -3.25 -0.06 0.29 3.15 1.13 -1.26 -0.70 117.38 116.69 1nhn n GLN 52 Ca -0.19 1.30 -0.14 0.00 -1.94 0.00 0.00 57.00 56.02 1nhn n GLN 52 Cb 1.04 -2.34 -0.07 0.00 0.11 0.00 0.00 30.24 28.98 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 -0.73 -0.74 -1.09 0.11 -1.88 -0.98 132.00 126.69 1nhn h PRO 53 Ca 0.80 0.05 0.16 0.00 0.11 0.00 0.00 66.00 67.12 1nhn h PRO 53 Cb 2.14 0.17 -0.11 0.00 0.11 0.00 0.00 31.00 33.31 1nhn h PRO 53 CO -0.71 -0.43 0.19 1.88 -0.21 0.00 0.00 178.00 178.72 1nhn h TYR 54 N -1.07 0.30 0.20 0.65 0.05 -1.39 -1.41 116.97 114.30 1nhn h TYR 54 Ca -0.08 0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.74 1nhn h TYR 54 Cb 0.64 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.35 1nhn h TYR 54 CO 0.01 -0.07 -0.21 0.93 -1.05 0.00 0.00 178.16 177.77 1nhn h GLU 55 N 0.28 -0.39 -1.41 4.88 4.39 -0.76 -0.13 114.58 121.45 1nhn h GLU 55 Ca 0.42 0.03 0.41 0.00 0.34 0.00 0.00 59.36 60.55 1nhn h GLU 55 Cb 0.71 0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 29.39 1nhn h GLU 55 CO -0.50 -0.26 1.10 0.87 -1.16 0.00 0.00 179.01 179.05 1nhn h LYS 56 N -0.41 0.00 0.04 2.33 1.79 -0.16 0.18 116.57 120.34 1nhn h LYS 56 Ca -0.03 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1nhn h LYS 56 Cb 0.35 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 1nhn h LYS 56 CO -0.03 0.00 -0.02 -0.22 -1.08 0.00 0.00 179.45 178.10 1nhn h LYS 57 N 0.00 -0.05 -0.94 3.15 1.63 -0.52 -2.36 116.57 117.49 1nhn h LYS 57 Ca 0.67 0.00 0.17 0.00 -0.85 0.00 0.00 60.65 60.64 1nhn h LYS 57 Cb 2.85 0.01 -0.10 0.00 -0.60 0.00 0.00 32.23 34.39 1nhn h LYS 57 CO -0.01 -0.03 0.53 0.00 -3.45 0.00 0.00 179.45 176.49 1nhn h ALA 58 N -1.27 1.49 0.25 5.00 0.00 -0.15 -1.03 119.26 123.55 1nhn h ALA 58 Ca -0.01 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1nhn h ALA 58 Cb 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1nhn h ALA 58 CO 0.01 -0.07 -0.13 0.00 0.00 0.00 0.00 179.25 179.07 1nhn h ALA 59 N 1.61 -0.35 -0.47 0.00 0.00 -0.80 -0.51 119.26 118.75 1nhn h ALA 59 Ca 0.53 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.46 1nhn h ALA 59 Cb 0.79 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.62 1nhn h ALA 59 CO -0.38 -0.69 -0.21 -0.22 0.00 0.00 0.00 179.25 177.75 1nhn h LYS 60 N -0.35 -0.10 0.11 0.00 3.64 -0.64 -0.22 116.57 119.01 1nhn h LYS 60 Ca -0.03 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1nhn h LYS 60 Cb 0.27 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1nhn h LYS 60 CO 0.05 -0.07 -0.05 -0.07 -2.27 0.00 0.00 179.45 177.04 1nhn h LEU 61 N -0.11 -0.13 -1.31 5.20 3.38 -1.22 -2.77 115.31 118.37 1nhn h LEU 61 Ca 0.22 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1nhn h LEU 61 Cb 0.45 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1nhn h LEU 61 CO -0.54 0.11 0.15 0.07 0.09 0.00 0.00 178.44 178.32 1nhn h LYS 62 N -0.37 0.62 0.18 1.13 5.09 -0.82 -2.27 116.57 120.14 1nhn h LYS 62 Ca -0.02 -0.09 -0.01 0.00 0.09 0.00 0.00 60.65 60.63 1nhn h LYS 62 Cb 0.30 -0.11 -0.00 0.00 0.10 0.00 0.00 32.23 32.52 1nhn h LYS 62 CO 0.02 0.54 -0.14 1.49 -2.09 0.00 0.00 179.45 179.28 1nhn h GLU 63 N 0.62 -0.29 -0.89 0.07 4.22 -1.03 0.18 114.58 117.45 1nhn h GLU 63 Ca 0.15 0.02 0.17 0.00 0.08 0.00 0.00 59.36 59.78 1nhn h GLU 63 Cb 0.17 0.07 -0.16 0.00 0.50 0.00 0.00 28.75 29.32 1nhn h GLU 63 CO -0.01 -0.20 -0.27 0.87 -2.18 0.00 0.00 179.01 177.23 1nhn h LYS 64 N -0.31 -0.02 0.18 1.92 1.57 -1.35 -2.26 116.57 116.31 1nhn h LYS 64 Ca -0.02 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1nhn h LYS 64 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1nhn h LYS 64 CO 0.01 -0.01 -0.24 -0.92 -0.57 0.00 0.00 179.45 177.71 1nhn h TYR 65 N -0.02 -0.68 -1.74 -1.35 3.20 -1.11 -2.47 116.97 112.80 1nhn h TYR 65 Ca 0.40 0.01 0.53 0.00 3.14 0.00 0.00 58.73 62.81 1nhn h TYR 65 Cb 0.64 0.27 -0.10 0.00 1.54 0.00 0.00 36.73 39.08 1nhn h TYR 65 CO -0.73 -0.30 1.22 0.39 -1.64 0.00 0.00 178.16 177.10 1nhn n GLU 66 N -3.81 -0.01 0.09 1.82 1.02 0.02 -0.18 120.64 119.59 1nhn n GLU 66 Ca -0.05 1.11 -0.12 0.00 -0.02 0.00 0.00 57.16 58.08 1nhn n GLU 66 Cb 0.21 -2.42 -0.08 0.00 -0.02 0.00 0.00 31.44 29.13 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 -0.26 0.00 3.49 6.56 -1.35 0.72 116.57 125.73 1nhn h LYS 67 Ca 0.90 0.02 -0.02 0.00 -1.06 0.00 0.00 60.65 60.48 1nhn h LYS 67 Cb 3.39 0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 35.10 1nhn h LYS 67 CO -0.15 0.13 -0.10 0.22 -2.06 0.00 0.00 179.45 177.49 1nhn h ASP 68 N -0.78 0.00 0.44 0.86 3.58 -0.46 -0.37 116.42 119.71 1nhn h ASP 68 Ca -0.03 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.21 1nhn h ASP 68 Cb 0.51 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.56 1nhn h ASP 68 CO 0.05 0.10 -0.93 0.40 -2.88 0.00 0.00 179.24 175.98 1nhn h ILE 69 N 0.00 1.44 -0.82 2.25 5.03 -0.84 -0.01 117.51 124.56 1nhn h ILE 69 Ca -0.00 -2.54 0.04 0.00 -0.12 0.00 0.00 64.86 62.24 1nhn h ILE 69 Cb 0.21 2.46 -0.05 0.00 -3.03 0.00 0.00 36.82 36.41 1nhn h ILE 69 CO 0.01 0.75 0.54 0.00 -0.68 0.00 0.00 178.15 178.77 1nhn h ALA 70 N 0.82 1.51 -0.10 1.87 0.00 0.21 -0.49 119.26 123.09 1nhn h ALA 70 Ca -0.07 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 1nhn h ALA 70 Cb 1.56 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 19.09 1nhn h ALA 70 CO 0.15 0.40 -0.60 0.00 0.00 0.00 0.00 179.25 179.20 1nhn h ALA 71 N 1.53 0.20 -0.79 0.00 0.00 -0.83 -0.04 119.26 119.34 1nhn h ALA 71 Ca 0.33 -0.54 0.19 0.00 0.00 0.00 0.00 54.91 54.88 1nhn h ALA 71 Cb 0.06 -0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.71 1nhn h ALA 71 CO -0.10 0.46 0.12 -0.92 0.00 0.00 0.00 179.25 178.82 1nhn h TYR 72 N 0.20 0.16 0.00 0.00 3.20 0.54 1.28 116.97 122.36 1nhn h TYR 72 Ca -0.05 0.05 -0.22 0.00 3.14 0.00 0.00 58.73 61.65 1nhn h TYR 72 Cb 1.25 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 39.54 1nhn h TYR 72 CO 0.11 -0.19 -1.24 -0.09 -1.64 0.00 0.00 178.16 175.11 1nhn h ARG 73 N 0.18 0.00 -0.81 1.82 2.43 -1.30 -3.33 114.38 113.38 1nhn h ARG 73 Ca 0.46 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 59.10 1nhn h ARG 73 Cb 0.84 0.00 -0.30 0.00 -0.42 0.00 0.00 29.97 30.10 1nhn h ARG 73 CO -0.62 0.68 0.22 0.00 -1.51 0.00 0.00 179.97 178.73 1nhn n ALA 74 N -2.41 5.53 -0.19 2.80 0.00 0.09 -4.67 120.51 121.65 1nhn n ALA 74 Ca -0.07 -3.43 -0.02 0.00 0.00 0.00 0.00 53.44 49.92 1nhn n ALA 74 Cb 0.94 -1.15 0.05 0.00 0.00 0.00 0.00 19.45 19.29 1nhn n ALA 74 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1nhn h LYS 75 N 1.73 -0.03 0.00 0.00 2.10 0.14 -3.39 116.57 117.12 1nhn h LYS 75 Ca 0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.13 1nhn h LYS 75 Cb 1.43 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.76 1nhn h LYS 75 CO 1.09 -0.02 0.00 0.41 -2.00 0.00 0.00 179.45 178.93 1nhn n GLY 76 N -1.42 0.00 0.83 0.07 0.00 -1.26 -5.06 105.19 98.35 1nhn n GLY 76 Ca 0.06 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.15 1nhn n GLY 76 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nhn n LYS 77 N 0.00 -1.10 -2.44 1.61 5.02 -1.26 -4.29 118.16 115.70 1nhn n LYS 77 Ca 0.00 0.86 -0.43 0.00 -2.02 0.00 0.00 58.31 56.72 1nhn n LYS 77 Cb 0.00 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.37 1nhn n LYS 77 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1nhn n PRO 78 N -3.06 3.26 0.00 1.97 -0.04 -1.26 -3.98 135.00 131.89 1nhn n PRO 78 Ca -0.02 -3.34 0.00 0.00 -0.04 0.00 0.00 63.50 60.10 1nhn n PRO 78 Cb 0.43 -3.21 0.00 0.00 -0.04 0.00 0.00 33.50 30.69 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 6.16 0.00 -1.74 3.54 2.03 -1.26 -5.05 116.55 120.22 1nhn n ASP 79 Ca 0.44 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.57 1nhn n ASP 79 Cb 0.41 0.00 0.11 0.00 -0.72 0.00 0.00 41.12 40.93 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 0.00 5.05 -0.84 -1.67 0.00 -1.26 -5.11 120.51 116.69 1nhn n ALA 80 Ca 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 53.44 50.00 1nhn n ALA 80 Cb 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1nhn n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50