#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 -0.03 -0.97 5.41 0.00 -1.26 -4.81 120.51 118.85 1nhn n ALA 4 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1nhn n ALA 4 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.01 0.00 -3.47 0.00 -0.02 -1.26 -5.01 135.00 125.23 1nhn n PRO 5 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.19 1nhn n PRO 5 Cb 0.00 -0.89 -0.12 0.00 -0.02 0.00 0.00 33.50 32.47 1nhn n PRO 5 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1nhn s LYS 6 N -1.43 0.51 0.00 -0.52 -2.85 -1.26 -5.03 119.74 109.16 1nhn s LYS 6 Ca 0.41 -1.24 0.00 0.00 -1.00 0.00 0.00 55.97 54.15 1nhn s LYS 6 Cb -0.27 -1.29 0.00 0.00 -2.06 0.00 0.00 37.83 34.21 1nhn s LYS 6 CO 0.68 -1.19 0.00 0.54 0.10 0.00 0.00 175.35 175.48 1nhn n ARG 7 N 4.19 0.00 -0.72 1.78 1.74 -1.26 -4.79 116.66 117.60 1nhn n ARG 7 Ca 0.10 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.86 1nhn n ARG 7 Cb 0.38 0.00 0.15 0.00 -1.02 0.00 0.00 32.46 31.97 1nhn n ARG 7 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1nhn n PRO 8 N -0.03 -0.75 -1.53 5.56 -0.02 -1.26 -4.86 135.00 132.11 1nhn n PRO 8 Ca 0.00 -0.18 -0.55 0.00 -2.02 0.00 0.00 63.50 60.76 1nhn n PRO 8 Cb 0.00 -1.95 -0.06 0.00 -0.02 0.00 0.00 33.50 31.46 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 -2.52 0.54 -3.65 0.52 -0.02 -1.26 -4.93 135.00 123.67 1nhn n PRO 9 Ca 0.06 0.19 -0.05 0.00 -2.02 0.00 0.00 63.50 61.68 1nhn n PRO 9 Cb 0.55 -1.71 -0.07 0.00 -0.02 0.00 0.00 33.50 32.25 1nhn n PRO 9 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1nhn s SER 10 N 0.10 -0.89 0.00 2.55 0.15 -1.26 -4.69 113.70 109.66 1nhn s SER 10 Ca 0.85 1.40 0.00 0.00 0.70 0.00 0.00 55.95 58.90 1nhn s SER 10 Cb -1.09 1.69 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 1nhn s SER 10 CO 0.53 -0.23 0.00 0.00 1.20 0.00 0.00 173.24 174.74 1nhn n ALA 11 N 4.92 0.00 0.08 5.45 0.00 -1.26 -4.16 120.51 125.54 1nhn n ALA 11 Ca -0.16 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.17 1nhn n ALA 11 Cb 0.53 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.85 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 0.26 -0.15 0.00 3.57 -1.97 -3.32 116.94 115.34 1nhn h PHE 12 Ca 0.00 -0.19 0.03 0.00 3.53 0.00 0.00 57.97 61.34 1nhn h PHE 12 Cb 0.00 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 38.66 1nhn h PHE 12 CO 0.00 1.16 -0.53 0.35 -2.23 0.00 0.00 178.31 177.05 1nhn h PHE 13 N 0.04 -1.58 -0.64 0.41 3.57 -1.84 0.14 116.94 117.03 1nhn h PHE 13 Ca -0.09 0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.54 1nhn h PHE 13 Cb 1.89 0.71 -0.10 0.00 2.79 0.00 0.00 35.95 41.24 1nhn h PHE 13 CO 0.03 -0.54 -0.56 -0.07 -2.23 0.00 0.00 178.31 174.94 1nhn h LEU 14 N -0.57 -1.95 -0.71 0.59 -0.00 -1.90 0.32 115.31 111.09 1nhn h LEU 14 Ca 0.04 0.28 0.10 0.00 -0.00 0.00 0.00 57.88 58.30 1nhn h LEU 14 Cb 0.68 0.83 -0.08 0.00 -0.00 0.00 0.00 40.66 42.09 1nhn h LEU 14 CO -0.44 -0.34 0.33 0.15 -0.00 0.00 0.00 178.44 178.14 1nhn h PHE 15 N -0.24 0.59 0.53 1.13 3.57 -1.57 -2.35 116.94 118.59 1nhn h PHE 15 Ca 0.11 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 1nhn h PHE 15 Cb 0.53 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 1nhn h PHE 15 CO -0.84 0.18 -0.50 0.00 -2.23 0.00 0.00 178.31 174.92 1nhn h SER 17 N -1.02 -1.98 -0.83 0.00 0.02 -0.65 0.25 113.55 109.34 1nhn h SER 17 Ca -0.06 0.30 0.21 0.00 -0.84 0.00 0.00 61.79 61.39 1nhn h SER 17 Cb 0.88 0.88 -0.14 0.00 0.14 0.00 0.00 62.40 64.16 1nhn h SER 17 CO -0.05 -0.21 0.13 -0.33 -1.14 0.00 0.00 176.83 175.24 1nhn h GLU 18 N -0.00 0.16 0.03 3.45 4.39 -1.30 -3.20 114.58 118.11 1nhn h GLU 18 Ca 0.15 -0.01 -0.36 0.00 0.34 0.00 0.00 59.36 59.48 1nhn h GLU 18 Cb 0.38 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.94 1nhn h GLU 18 CO -0.86 0.10 -2.20 0.66 -1.16 0.00 0.00 179.01 175.56 1nhn n TYR 19 N -5.28 0.48 -0.35 4.33 4.02 -0.71 -4.52 117.16 115.13 1nhn n TYR 19 Ca 0.18 0.13 -0.08 0.00 -0.01 0.00 0.00 57.90 58.13 1nhn n TYR 19 Cb 0.59 -1.07 -0.06 0.00 -0.02 0.00 0.00 39.34 38.78 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 -3.13 -0.34 0.29 -0.72 0.63 0.81 0.82 116.66 115.03 1nhn n ARG 20 Ca -0.34 1.27 0.16 0.00 -0.92 0.00 0.00 57.85 58.03 1nhn n ARG 20 Cb 1.06 -1.88 0.85 0.00 0.45 0.00 0.00 32.46 32.94 1nhn n ARG 20 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 1nhn h PRO 21 N 0.00 0.00 0.18 -0.14 0.13 -1.82 0.25 132.00 130.60 1nhn h PRO 21 Ca 0.17 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.29 1nhn h PRO 21 Cb 0.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.51 1nhn h PRO 21 CO -0.80 0.06 -0.09 0.87 -0.23 0.00 0.00 178.00 177.81 1nhn h LYS 22 N 0.00 -0.24 -0.52 0.86 6.56 0.19 -2.75 116.57 120.66 1nhn h LYS 22 Ca -0.00 0.02 -0.06 0.00 -1.06 0.00 0.00 60.65 59.55 1nhn h LYS 22 Cb 0.29 0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 31.98 1nhn h LYS 22 CO 0.01 -0.16 0.11 -0.84 -2.06 0.00 0.00 179.45 176.50 1nhn h ILE 23 N -1.00 1.25 -0.92 1.86 3.07 -1.00 -1.80 117.51 118.96 1nhn h ILE 23 Ca -0.03 -0.91 0.14 0.00 1.55 0.00 0.00 64.86 65.62 1nhn h ILE 23 Cb 0.19 0.83 -0.08 0.00 -0.27 0.00 0.00 36.82 37.49 1nhn h ILE 23 CO 0.04 0.33 0.59 0.50 -1.05 0.00 0.00 178.15 178.56 1nhn h LYS 24 N 0.74 0.75 -0.92 0.16 3.64 -1.08 0.87 116.57 120.74 1nhn h LYS 24 Ca 0.16 -0.05 0.13 0.00 -1.27 0.00 0.00 60.65 59.63 1nhn h LYS 24 Cb 0.37 -0.17 -0.09 0.00 -0.41 0.00 0.00 32.23 31.93 1nhn h LYS 24 CO 0.01 0.50 0.53 0.78 -2.27 0.00 0.00 179.45 179.00 1nhn h GLY 25 N 0.77 1.50 1.58 5.01 0.00 -1.01 0.81 103.07 111.74 1nhn h GLY 25 Ca 0.46 -0.34 -0.16 0.00 0.00 0.00 0.00 47.33 47.29 1nhn h GLY 25 CO -0.23 0.07 -1.01 0.83 0.00 0.00 0.00 176.54 176.20 1nhn h GLU 26 N 0.81 0.00 -2.29 4.80 5.08 -0.43 -3.38 114.58 119.17 1nhn h GLU 26 Ca 0.47 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 58.19 1nhn h GLU 26 Cb 0.56 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 29.43 1nhn h GLU 26 CO -0.30 0.54 -0.26 0.72 -1.00 0.00 0.00 179.01 178.70 1nhn n HIS 27 N -3.13 3.72 -1.19 4.33 8.25 0.27 -4.77 115.22 122.70 1nhn n HIS 27 Ca -0.04 -3.68 -0.23 0.00 -0.26 0.00 0.00 57.72 53.51 1nhn n HIS 27 Cb 0.84 -0.66 0.01 0.00 1.12 0.00 0.00 29.99 31.30 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 -0.07 2.14 0.00 -0.41 -0.04 0.11 -3.64 135.00 133.09 1nhn n PRO 28 Ca 0.34 -2.08 0.00 0.00 -0.04 0.00 0.00 63.50 61.72 1nhn n PRO 28 Cb 0.36 -1.90 0.00 0.00 -0.04 0.00 0.00 33.50 31.93 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 0.40 0.00 0.00 0.55 0.00 -1.26 -5.10 105.19 99.78 1nhn n GLY 29 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -1.39 0.00 -4.90 0.99 -0.00 -1.24 -5.15 117.00 105.31 1nhn n LEU 30 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 55.75 1nhn n LEU 30 Cb 0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.69 1nhn n LEU 30 CO 0.00 -0.26 0.06 -0.94 -0.00 0.00 0.00 177.39 176.25 1nhn s SER 31 N -0.85 4.64 -0.12 1.45 1.04 -1.26 -4.96 113.70 113.64 1nhn s SER 31 Ca 0.00 -1.23 0.06 0.00 0.48 0.00 0.00 55.95 55.26 1nhn s SER 31 Cb 0.00 0.40 0.37 0.00 0.10 0.00 0.00 66.02 66.89 1nhn s SER 31 CO 0.00 -1.10 1.10 0.00 0.98 0.00 0.00 173.24 174.22 1nhn n ILE 32 N -1.77 1.33 0.00 -1.02 3.06 -1.26 -1.21 119.36 118.49 1nhn n ILE 32 Ca -0.01 -0.66 0.00 0.00 -2.50 0.00 0.00 62.75 59.58 1nhn n ILE 32 Cb 0.64 -0.43 0.00 0.00 0.54 0.00 0.00 39.64 40.39 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 0.24 0.00 0.18 4.50 0.00 -1.26 -4.31 105.19 104.53 1nhn n GLY 33 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.70 1.88 0.12 1.61 -0.08 -0.85 -2.78 116.55 114.75 1nhn n ASP 34 Ca 0.00 0.28 0.06 0.00 -1.51 0.00 0.00 54.79 53.61 1nhn n ASP 34 Cb 0.24 -0.74 0.51 0.00 2.34 0.00 0.00 41.12 43.47 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 -0.86 1.07 -0.18 5.18 3.04 -1.46 0.15 116.25 123.18 1nhn h VAL 35 Ca -0.66 -0.14 -0.04 0.00 -1.01 0.00 0.00 66.70 64.85 1nhn h VAL 35 Cb 1.62 0.75 -0.01 0.00 -2.01 0.00 0.00 31.29 31.64 1nhn h VAL 35 CO -0.38 0.07 -0.03 0.00 -1.01 0.00 0.00 177.57 176.22 1nhn h ALA 36 N 1.85 0.25 -0.46 3.17 0.00 -1.74 -0.92 119.26 121.42 1nhn h ALA 36 Ca 0.08 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1nhn h ALA 36 Cb -0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1nhn h ALA 36 CO -0.02 0.00 0.04 0.87 0.00 0.00 0.00 179.25 180.15 1nhn h LYS 37 N 0.07 0.72 0.58 0.00 1.57 -0.65 0.19 116.57 119.05 1nhn h LYS 37 Ca 0.05 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 1nhn h LYS 37 Cb 0.46 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.67 1nhn h LYS 37 CO 0.02 0.71 -0.28 -0.22 -0.57 0.00 0.00 179.45 179.10 1nhn h LYS 38 N 0.69 -0.76 -0.46 3.15 3.64 -0.61 -0.35 116.57 121.88 1nhn h LYS 38 Ca 0.14 0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.64 1nhn h LYS 38 Cb 0.37 0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.31 1nhn h LYS 38 CO 0.01 -0.50 0.15 -0.07 -2.27 0.00 0.00 179.45 176.77 1nhn h LEU 39 N -0.79 0.14 -1.16 5.20 3.38 -0.98 0.67 115.31 121.76 1nhn h LEU 39 Ca -0.08 0.06 0.42 0.00 0.09 0.00 0.00 57.88 58.37 1nhn h LEU 39 Cb 0.60 0.05 -0.14 0.00 0.09 0.00 0.00 40.66 41.27 1nhn h LEU 39 CO 0.13 0.11 0.72 0.61 0.09 0.00 0.00 178.44 180.10 1nhn n GLY 40 N -1.25 -0.74 0.10 0.83 0.00 0.64 -1.21 105.19 103.55 1nhn n GLY 40 Ca 0.04 0.70 -0.18 0.00 0.00 0.00 0.00 46.02 46.58 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 -4.67 0.54 -0.18 1.61 -0.58 -0.14 -4.45 120.64 112.77 1nhn n GLU 41 Ca 0.36 0.47 0.26 0.00 -0.42 0.00 0.00 57.16 57.82 1nhn n GLU 41 Cb 1.36 -1.65 0.67 0.00 -0.57 0.00 0.00 31.44 31.25 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 0.10 -0.47 3.49 2.86 0.52 -1.65 114.93 118.78 1nhn h MET 42 Ca -0.31 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.34 1nhn h MET 42 Cb 1.16 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.77 1nhn h MET 42 CO -0.19 0.06 0.28 2.35 1.06 0.00 0.00 176.91 180.48 1nhn h TRP 43 N 0.10 0.53 0.00 -0.22 2.91 -1.39 0.88 115.95 118.77 1nhn h TRP 43 Ca 0.43 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.44 1nhn h TRP 43 Cb 1.53 -0.17 -0.00 0.00 -0.51 0.00 0.00 29.16 30.00 1nhn h TRP 43 CO -0.00 0.31 -0.09 -0.91 -1.03 0.00 0.00 178.44 176.72 1nhn h ASN 44 N 0.57 0.00 -0.49 2.65 2.35 -1.53 -1.73 115.58 117.39 1nhn h ASN 44 Ca 0.18 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.79 1nhn h ASN 44 Cb -0.01 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.28 1nhn h ASN 44 CO -0.07 0.09 0.18 0.59 -1.65 0.00 0.00 177.43 176.57 1nhn n ASN 45 N -3.56 3.88 -1.84 5.81 3.02 0.26 -4.89 115.26 117.94 1nhn n ASN 45 Ca -0.02 -2.80 0.00 0.00 -0.03 0.00 0.00 54.58 51.73 1nhn n ASN 45 Cb 0.22 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 38.73 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 0.01 0.00 -1.17 3.41 5.66 -0.65 -4.96 114.28 116.57 1nhn n THR 46 Ca 0.27 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.18 1nhn n THR 46 Cb 1.04 -0.64 0.25 0.00 -1.55 0.00 0.00 70.33 69.43 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 4.62 -1.05 1.79 0.00 -1.26 -4.92 120.51 116.69 1nhn n ALA 47 Ca 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 53.44 50.79 1nhn n ALA 47 Cb 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 -0.65 -0.29 0.00 0.00 0.00 -1.26 -3.77 120.51 114.54 1nhn n ALA 48 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1nhn n ALA 48 Cb 1.34 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 20.62 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 -0.31 1.26 -0.42 0.00 -0.08 -1.26 -4.73 116.55 111.00 1nhn n ASP 49 Ca 0.00 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.30 1nhn n ASP 49 Cb 0.14 0.09 0.08 0.00 2.34 0.00 0.00 41.12 43.77 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 -1.19 1.15 -0.09 1.67 8.00 -1.25 -3.07 116.55 121.78 1nhn n ASP 50 Ca 0.00 -2.05 -0.11 0.00 0.71 0.00 0.00 54.79 53.34 1nhn n ASP 50 Cb 0.13 -0.20 -0.15 0.00 -0.02 0.00 0.00 41.12 40.88 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 0.03 0.68 -0.17 -1.24 5.02 -1.26 -4.42 118.16 116.79 1nhn n LYS 51 Ca 0.06 0.06 -0.02 0.00 -2.02 0.00 0.00 58.31 56.39 1nhn n LYS 51 Cb 0.21 -1.56 0.06 0.00 -0.02 0.00 0.00 35.03 33.71 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 0.06 -0.33 1.97 1.08 -1.88 0.25 115.11 116.26 1nhn h GLN 52 Ca -0.51 -0.00 0.04 0.00 -1.45 0.00 0.00 58.65 56.72 1nhn h GLN 52 Cb 2.17 -0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 29.52 1nhn h GLN 52 CO 0.02 0.04 -0.41 -1.00 -0.95 0.00 0.00 178.83 176.53 1nhn h PRO 53 N 0.06 -0.26 -0.31 1.46 0.13 -1.78 -2.53 132.00 128.77 1nhn h PRO 53 Ca 0.26 0.02 0.07 0.00 -0.87 0.00 0.00 66.00 65.47 1nhn h PRO 53 Cb 0.40 0.06 -0.07 0.00 0.13 0.00 0.00 31.00 31.52 1nhn h PRO 53 CO -0.48 -0.18 -0.14 1.88 -0.23 0.00 0.00 178.00 178.85 1nhn h TYR 54 N -0.27 -0.33 -0.56 1.56 0.05 -1.57 -2.95 116.97 112.90 1nhn h TYR 54 Ca 0.06 0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.93 1nhn h TYR 54 Cb 0.43 0.19 -0.08 0.00 1.01 0.00 0.00 36.73 38.28 1nhn h TYR 54 CO -0.72 -0.21 -0.43 0.93 -1.05 0.00 0.00 178.16 176.68 1nhn h GLU 55 N -0.09 -0.12 -0.88 4.88 5.08 -0.13 0.23 114.58 123.55 1nhn h GLU 55 Ca 0.16 0.01 0.26 0.00 -1.00 0.00 0.00 59.36 58.78 1nhn h GLU 55 Cb 0.33 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 1nhn h GLU 55 CO -0.36 -0.08 0.91 0.87 -1.00 0.00 0.00 179.01 179.34 1nhn h LYS 56 N -0.12 0.00 0.00 2.33 1.57 -1.29 0.32 116.57 119.37 1nhn h LYS 56 Ca 0.09 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.68 1nhn h LYS 56 Cb 0.36 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 1nhn h LYS 56 CO -0.60 0.00 -1.20 1.63 -0.57 0.00 0.00 179.45 178.72 1nhn n LYS 57 N -3.56 0.54 -0.30 3.15 5.02 0.34 -2.97 118.16 120.38 1nhn n LYS 57 Ca 0.19 0.53 0.08 0.00 -2.02 0.00 0.00 58.31 57.10 1nhn n LYS 57 Cb 1.19 -1.71 0.20 0.00 -0.02 0.00 0.00 35.03 34.69 1nhn n LYS 57 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nhn h ALA 58 N -0.66 0.88 0.68 7.82 0.00 0.81 0.43 119.26 129.22 1nhn h ALA 58 Ca -0.29 0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1nhn h ALA 58 Cb 1.15 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 1nhn h ALA 58 CO -0.18 -0.47 -0.43 0.00 0.00 0.00 0.00 179.25 178.17 1nhn h ALA 59 N 1.86 -1.10 -0.93 0.00 0.00 -0.60 -1.37 119.26 117.13 1nhn h ALA 59 Ca 0.49 -0.22 0.17 0.00 0.00 0.00 0.00 54.91 55.35 1nhn h ALA 59 Cb 0.89 0.54 -0.17 0.00 0.00 0.00 0.00 17.79 19.05 1nhn h ALA 59 CO -0.83 -1.13 -0.28 -0.22 0.00 0.00 0.00 179.25 176.79 1nhn h LYS 60 N -1.06 -0.01 0.47 0.00 3.11 -0.11 0.54 116.57 119.52 1nhn h LYS 60 Ca -0.09 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.74 1nhn h LYS 60 Cb 0.86 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.08 1nhn h LYS 60 CO 0.08 -0.01 -0.35 -0.07 -2.81 0.00 0.00 179.45 176.29 1nhn h LEU 61 N -0.01 -0.91 -1.72 5.20 3.38 -0.79 -1.30 115.31 119.16 1nhn h LEU 61 Ca 0.41 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.44 1nhn h LEU 61 Cb 0.65 0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1nhn h LEU 61 CO -0.95 -0.52 0.00 0.11 0.09 0.00 0.00 178.44 177.17 1nhn h LYS 62 N -0.81 0.00 0.37 1.13 1.57 0.02 -2.47 116.57 116.38 1nhn h LYS 62 Ca -0.05 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1nhn h LYS 62 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1nhn h LYS 62 CO 0.01 0.00 -0.18 1.49 -0.57 0.00 0.00 179.45 180.20 1nhn h GLU 63 N 0.00 -0.48 -0.95 3.15 4.22 0.56 -2.33 114.58 118.75 1nhn h GLU 63 Ca 0.00 0.03 0.20 0.00 0.08 0.00 0.00 59.36 59.68 1nhn h GLU 63 Cb 0.26 0.11 -0.18 0.00 0.50 0.00 0.00 28.75 29.44 1nhn h GLU 63 CO 0.00 -0.32 -0.18 -0.22 -2.18 0.00 0.00 179.01 176.11 1nhn h LYS 64 N -0.99 0.01 0.00 1.92 3.11 -0.89 -1.95 116.57 117.78 1nhn h LYS 64 Ca -0.05 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.79 1nhn h LYS 64 Cb 0.38 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.61 1nhn h LYS 64 CO 0.08 0.00 0.00 0.98 -2.81 0.00 0.00 179.45 177.71 1nhn n TYR 65 N -5.57 0.00 -0.56 1.91 4.19 -0.96 -1.42 117.16 114.74 1nhn n TYR 65 Ca 0.16 0.00 0.44 0.00 3.31 0.00 0.00 57.90 61.81 1nhn n TYR 65 Cb 0.52 -0.32 0.71 0.00 0.49 0.00 0.00 39.34 40.74 1nhn n TYR 65 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 1nhn n GLU 66 N -1.82 -0.02 -0.05 2.98 1.02 -0.76 -0.54 120.64 121.45 1nhn n GLU 66 Ca 0.00 1.10 -0.08 0.00 -0.02 0.00 0.00 57.16 58.16 1nhn n GLU 66 Cb 0.00 -2.34 -0.07 0.00 -0.02 0.00 0.00 31.44 29.01 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 -0.02 0.00 3.49 6.56 -1.12 -1.77 116.57 123.72 1nhn h LYS 67 Ca 0.86 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 60.44 1nhn h LYS 67 Cb 3.12 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 34.78 1nhn h LYS 67 CO -0.22 0.51 -0.06 0.22 -2.06 0.00 0.00 179.45 177.83 1nhn h ASP 68 N -0.99 0.00 -0.03 0.86 3.58 0.06 0.13 116.42 120.03 1nhn h ASP 68 Ca -0.00 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.39 1nhn h ASP 68 Cb 0.54 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.59 1nhn h ASP 68 CO 0.00 0.06 -0.19 -0.29 -2.88 0.00 0.00 179.24 175.94 1nhn h ILE 69 N 0.00 1.48 -0.47 2.25 -0.00 -0.88 -0.35 117.51 119.54 1nhn h ILE 69 Ca -0.00 -1.70 0.05 0.00 -0.00 0.00 0.00 64.86 63.20 1nhn h ILE 69 Cb 0.18 2.49 -0.03 0.00 -0.00 0.00 0.00 36.82 39.47 1nhn h ILE 69 CO 0.01 0.47 0.32 0.00 -0.00 0.00 0.00 178.15 178.94 1nhn h ALA 70 N 0.37 1.87 -0.00 0.18 0.00 -0.37 0.74 119.26 122.04 1nhn h ALA 70 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1nhn h ALA 70 Cb 0.87 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1nhn h ALA 70 CO 0.04 0.06 -0.14 0.00 0.00 0.00 0.00 179.25 179.22 1nhn n ALA 71 N -2.50 2.77 -0.06 0.00 0.00 0.36 -1.64 120.51 119.44 1nhn n ALA 71 Ca 0.06 -0.24 -0.11 0.00 0.00 0.00 0.00 53.44 53.15 1nhn n ALA 71 Cb 0.20 -1.34 -0.15 0.00 0.00 0.00 0.00 19.45 18.17 1nhn n ALA 71 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1nhn n TYR 72 N -1.14 0.50 -0.06 0.00 9.36 0.15 -3.99 117.16 121.99 1nhn n TYR 72 Ca 0.12 0.17 -0.04 0.00 3.32 0.00 0.00 57.90 61.47 1nhn n TYR 72 Cb 0.29 -1.09 -0.02 0.00 -0.63 0.00 0.00 39.34 37.89 1nhn n TYR 72 CO 0.00 0.00 0.00 -0.09 0.22 0.00 0.00 176.86 176.99 1nhn h ARG 73 N 0.00 0.00 -1.70 2.98 2.43 -1.32 -3.36 114.38 113.43 1nhn h ARG 73 Ca -0.43 0.00 0.51 0.00 -0.81 0.00 0.00 59.98 59.25 1nhn h ARG 73 Cb 2.12 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 31.57 1nhn h ARG 73 CO 0.05 0.13 1.19 0.00 -1.51 0.00 0.00 179.97 179.83 1nhn h ALA 74 N -0.90 3.46 -0.50 2.80 0.00 -1.54 -3.41 119.26 119.17 1nhn h ALA 74 Ca -0.02 -0.01 -0.67 0.00 0.00 0.00 0.00 54.91 54.21 1nhn h ALA 74 Cb 0.37 0.16 -0.13 0.00 0.00 0.00 0.00 17.79 18.20 1nhn h ALA 74 CO -0.01 -2.02 -0.52 0.21 0.00 0.00 0.00 179.25 176.91 1nhn s LYS 75 N -5.00 2.17 0.00 0.00 2.20 -1.26 -4.81 119.74 113.04 1nhn s LYS 75 Ca -0.06 -2.38 0.00 0.00 -0.36 0.00 0.00 55.97 53.17 1nhn s LYS 75 Cb 0.27 -1.43 0.00 0.00 -1.51 0.00 0.00 37.83 35.17 1nhn s LYS 75 CO 0.86 -0.38 0.00 0.41 -0.36 0.00 0.00 175.35 175.89 1nhn n GLY 76 N -1.23 3.11 0.10 5.54 0.00 -1.24 -4.76 105.19 106.72 1nhn n GLY 76 Ca -0.18 -0.85 -0.15 0.00 0.00 0.00 0.00 46.02 44.85 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 0.55 -0.34 1.61 5.02 -1.26 -3.96 118.16 119.78 1nhn n LYS 77 Ca 0.00 0.23 0.21 0.00 -2.02 0.00 0.00 58.31 56.73 1nhn n LYS 77 Cb 0.00 -1.45 0.45 0.00 -0.02 0.00 0.00 35.03 34.01 1nhn n LYS 77 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1nhn h PRO 78 N -1.00 0.45 -3.60 1.97 0.13 -1.87 -3.15 132.00 124.93 1nhn h PRO 78 Ca -0.20 -0.03 -0.67 0.00 -0.87 0.00 0.00 66.00 64.23 1nhn h PRO 78 Cb 1.18 -0.10 -0.38 0.00 0.13 0.00 0.00 31.00 31.82 1nhn h PRO 78 CO -0.12 0.30 -0.52 0.34 -0.23 0.00 0.00 178.00 177.77 1nhn s ASP 79 N -5.13 4.78 -0.88 1.44 -1.08 -1.26 -5.03 116.67 109.51 1nhn s ASP 79 Ca -0.10 -2.85 -0.09 0.00 -0.52 0.00 0.00 52.55 48.98 1nhn s ASP 79 Cb 0.27 -1.74 0.23 0.00 -1.46 0.00 0.00 42.92 40.22 1nhn s ASP 79 CO 0.80 -0.31 0.81 0.00 0.52 0.00 0.00 175.17 176.98 1nhn s ALA 80 N -0.06 4.20 0.00 3.66 0.00 -1.19 -3.64 121.76 124.72 1nhn s ALA 80 Ca 0.16 -3.52 0.00 0.00 0.00 0.00 0.00 51.96 48.60 1nhn s ALA 80 Cb -0.23 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1nhn s ALA 80 CO -0.02 -2.22 0.00 0.00 0.00 0.00 0.00 175.76 173.52