#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 -0.56 -1.36 -2.53 0.00 -1.26 -4.78 120.51 110.02 1nhn n ALA 4 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1nhn n ALA 4 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.33 0.38 -3.69 0.00 -0.02 -1.26 -5.00 135.00 125.08 1nhn n PRO 5 Ca 0.00 0.16 -0.30 0.00 -2.02 0.00 0.00 63.50 61.34 1nhn n PRO 5 Cb 0.00 -1.67 -0.14 0.00 -0.02 0.00 0.00 33.50 31.68 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 -2.24 1.03 -0.14 -0.52 -2.85 -1.26 -5.01 119.74 108.76 1nhn s LYS 6 Ca 0.66 -1.65 -0.12 0.00 -1.00 0.00 0.00 55.97 53.86 1nhn s LYS 6 Cb -0.41 -2.12 0.02 0.00 -2.06 0.00 0.00 37.83 33.26 1nhn s LYS 6 CO 0.57 -1.11 0.20 0.54 0.10 0.00 0.00 175.35 175.66 1nhn n ARG 7 N 4.00 -0.63 -0.05 1.78 1.74 -1.26 -4.95 116.66 117.29 1nhn n ARG 7 Ca 0.06 0.57 -0.04 0.00 -0.77 0.00 0.00 57.85 57.67 1nhn n ARG 7 Cb 0.37 -0.78 0.04 0.00 -1.02 0.00 0.00 32.46 31.06 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 0.27 -2.13 -0.93 5.56 -0.02 -1.26 -4.92 135.00 131.58 1nhn n PRO 8 Ca -0.03 -0.19 -0.30 0.00 -2.02 0.00 0.00 63.50 60.97 1nhn n PRO 8 Cb 0.30 -0.23 -0.00 0.00 -0.02 0.00 0.00 33.50 33.55 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 -2.35 0.00 -0.98 0.52 -0.02 -1.26 -4.95 135.00 125.96 1nhn n PRO 9 Ca 0.02 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.55 1nhn n PRO 9 Cb 0.07 -0.72 0.12 0.00 -0.02 0.00 0.00 33.50 32.95 1nhn n PRO 9 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1nhn n SER 10 N 1.71 1.39 0.00 2.55 2.88 -1.26 -4.66 113.62 116.23 1nhn n SER 10 Ca 0.08 -3.04 0.00 0.00 -1.33 0.00 0.00 58.87 54.57 1nhn n SER 10 Cb 0.30 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 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 -0.41 0.00 0.41 -1.46 0.00 -1.26 -4.53 120.51 113.26 1nhn n ALA 11 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.70 1nhn n ALA 11 Cb 0.89 0.00 0.40 0.00 0.00 0.00 0.00 19.45 20.74 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 -0.10 0.00 3.57 -1.93 -3.21 116.94 115.26 1nhn h PHE 12 Ca 0.00 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 1nhn h PHE 12 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1nhn h PHE 12 CO 0.00 0.00 -0.29 0.35 -2.23 0.00 0.00 178.31 176.14 1nhn h PHE 13 N 0.00 0.49 -0.01 0.41 3.04 -1.93 0.40 116.94 119.35 1nhn h PHE 13 Ca 0.00 -0.19 0.02 0.00 3.98 0.00 0.00 57.97 61.78 1nhn h PHE 13 Cb 0.70 -0.09 -0.06 0.00 2.56 0.00 0.00 35.95 39.07 1nhn h PHE 13 CO 0.00 0.91 -0.54 -0.07 -2.02 0.00 0.00 178.31 176.59 1nhn h LEU 14 N -0.06 -1.66 -0.62 0.59 -0.00 -1.94 -2.01 115.31 109.61 1nhn h LEU 14 Ca -0.01 0.19 0.11 0.00 -0.00 0.00 0.00 57.88 58.17 1nhn h LEU 14 Cb 0.91 0.63 -0.09 0.00 -0.00 0.00 0.00 40.66 42.11 1nhn h LEU 14 CO 0.06 -0.52 0.15 0.15 -0.00 0.00 0.00 178.44 178.28 1nhn h PHE 15 N -0.67 0.25 -0.08 1.13 3.04 -1.61 -2.93 116.94 116.07 1nhn h PHE 15 Ca 0.01 0.04 0.04 0.00 3.98 0.00 0.00 57.97 62.04 1nhn h PHE 15 Cb 0.72 -0.02 -0.06 0.00 2.56 0.00 0.00 35.95 39.16 1nhn h PHE 15 CO -0.52 -0.01 -0.36 0.00 -2.02 0.00 0.00 178.31 175.40 1nhn h SER 17 N -0.46 -0.69 -0.77 0.00 0.02 -1.25 0.47 113.55 110.86 1nhn h SER 17 Ca 0.08 0.08 0.29 0.00 -0.84 0.00 0.00 61.79 61.40 1nhn h SER 17 Cb 0.59 0.27 -0.14 0.00 0.14 0.00 0.00 62.40 63.25 1nhn h SER 17 CO -0.34 -0.20 0.31 -0.62 -1.14 0.00 0.00 176.83 174.83 1nhn n GLU 18 N -3.72 -0.05 -0.12 3.45 -0.58 -1.12 -2.37 120.64 116.13 1nhn n GLU 18 Ca -0.03 1.09 -0.17 0.00 -0.42 0.00 0.00 57.16 57.63 1nhn n GLU 18 Cb 0.16 -1.89 -0.11 0.00 -0.57 0.00 0.00 31.44 29.02 1nhn n GLU 18 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1nhn n TYR 19 N -4.83 0.00 -0.08 -0.32 4.02 -1.06 -4.68 117.16 110.21 1nhn n TYR 19 Ca 0.26 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 58.13 1nhn n TYR 19 Cb 0.89 -0.95 -0.02 0.00 -0.02 0.00 0.00 39.34 39.24 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 -3.20 -0.09 0.01 -0.72 1.74 0.13 0.08 116.66 114.61 1nhn n ARG 20 Ca -0.43 0.37 0.12 0.00 -0.77 0.00 0.00 57.85 57.14 1nhn n ARG 20 Cb 0.97 -0.55 0.53 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 -3.79 0.01 -0.09 5.56 -0.04 -1.26 -1.06 135.00 134.33 1nhn n PRO 21 Ca 0.00 0.08 -0.20 0.00 -0.04 0.00 0.00 63.50 63.34 1nhn n PRO 21 Cb 0.05 -1.52 -0.12 0.00 -0.04 0.00 0.00 33.50 31.88 1nhn n PRO 21 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1nhn h LYS 22 N 0.00 0.01 -0.34 0.54 6.56 -0.63 -2.62 116.57 120.08 1nhn h LYS 22 Ca 0.00 -0.01 -0.15 0.00 -1.06 0.00 0.00 60.65 59.43 1nhn h LYS 22 Cb 0.44 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.10 1nhn h LYS 22 CO 0.00 1.00 -0.38 -0.84 -2.06 0.00 0.00 179.45 177.17 1nhn h ILE 23 N -0.98 1.28 -0.63 1.86 3.07 -1.43 -2.11 117.51 118.57 1nhn h ILE 23 Ca -0.27 -1.56 0.04 0.00 1.55 0.00 0.00 64.86 64.63 1nhn h ILE 23 Cb 1.25 1.49 -0.04 0.00 -0.27 0.00 0.00 36.82 39.25 1nhn h ILE 23 CO -0.16 0.51 0.42 0.50 -1.05 0.00 0.00 178.15 178.37 1nhn h LYS 24 N 0.65 0.68 0.00 0.16 3.64 -1.24 1.02 116.57 121.48 1nhn h LYS 24 Ca 0.05 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1nhn h LYS 24 Cb 0.98 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1nhn h LYS 24 CO 0.09 0.45 -0.10 0.78 -2.27 0.00 0.00 179.45 178.40 1nhn h GLY 25 N 0.70 0.00 0.27 5.01 0.00 -0.99 -1.16 103.07 106.90 1nhn h GLY 25 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1nhn h GLY 25 CO -0.08 0.00 -1.56 1.18 0.00 0.00 0.00 176.54 176.08 1nhn n GLU 26 N -4.23 0.52 -3.18 4.80 -0.58 0.37 -4.49 120.64 113.84 1nhn n GLU 26 Ca -0.03 -0.09 -0.27 0.00 -0.42 0.00 0.00 57.16 56.36 1nhn n GLU 26 Cb 0.18 -1.58 -0.06 0.00 -0.57 0.00 0.00 31.44 29.41 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 -2.20 3.64 -0.83 -0.32 8.25 0.33 -4.83 115.22 119.26 1nhn n HIS 27 Ca -0.01 -4.06 -0.12 0.00 -0.26 0.00 0.00 57.72 53.27 1nhn n HIS 27 Cb 0.52 -0.52 0.01 0.00 1.12 0.00 0.00 29.99 31.12 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 0.33 1.61 0.00 -0.41 -0.04 -0.73 -3.50 135.00 132.27 1nhn n PRO 28 Ca 0.30 -1.12 0.00 0.00 -0.04 0.00 0.00 63.50 62.65 1nhn n PRO 28 Cb 0.41 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 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 0.86 0.00 0.00 0.55 0.00 -1.26 -5.10 105.19 100.23 1nhn n GLY 29 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.12 0.00 -4.87 0.99 -0.00 -1.23 -5.16 117.00 105.61 1nhn n LEU 30 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.73 1nhn n LEU 30 Cb 0.16 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.56 1nhn n LEU 30 CO 0.00 -0.17 -0.02 -0.94 -0.00 0.00 0.00 177.39 176.27 1nhn s SER 31 N -0.64 4.51 -0.09 1.45 1.04 -1.26 -4.97 113.70 113.73 1nhn s SER 31 Ca 0.00 -1.36 0.09 0.00 0.48 0.00 0.00 55.95 55.16 1nhn s SER 31 Cb 0.00 0.49 0.41 0.00 0.10 0.00 0.00 66.02 67.02 1nhn s SER 31 CO 0.00 -1.07 1.19 0.00 0.98 0.00 0.00 173.24 174.34 1nhn n ILE 32 N -1.66 1.23 0.00 -1.02 0.13 -1.26 -1.04 119.36 115.73 1nhn n ILE 32 Ca -0.06 -0.68 0.00 0.00 -1.10 0.00 0.00 62.75 60.91 1nhn n ILE 32 Cb 0.65 -0.22 0.00 0.00 -0.84 0.00 0.00 39.64 39.23 1nhn n ILE 32 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1nhn n GLY 33 N 0.53 0.00 0.14 4.50 0.00 -1.26 -4.21 105.19 104.88 1nhn n GLY 33 Ca 0.14 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.58 2.13 0.18 1.61 -0.08 -1.00 -2.22 116.55 115.59 1nhn n ASP 34 Ca 0.00 -0.05 0.04 0.00 -1.51 0.00 0.00 54.79 53.27 1nhn n ASP 34 Cb 0.11 -0.42 0.29 0.00 2.34 0.00 0.00 41.12 43.45 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 -0.15 1.02 0.08 5.18 3.04 -1.38 0.28 116.25 124.33 1nhn h VAL 35 Ca -0.53 -1.66 -0.27 0.00 -1.01 0.00 0.00 66.70 63.23 1nhn h VAL 35 Cb 1.75 1.98 0.01 0.00 -2.01 0.00 0.00 31.29 33.03 1nhn h VAL 35 CO -0.13 0.42 -1.14 0.00 -1.01 0.00 0.00 177.57 175.72 1nhn h ALA 36 N 1.57 0.15 -0.25 3.17 0.00 -1.73 -0.81 119.26 121.36 1nhn h ALA 36 Ca -0.00 -0.78 -0.12 0.00 0.00 0.00 0.00 54.91 54.01 1nhn h ALA 36 Cb 0.94 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1nhn h ALA 36 CO 0.06 0.80 -0.34 -0.22 0.00 0.00 0.00 179.25 179.55 1nhn h LYS 37 N 0.21 0.54 0.53 0.00 3.11 -0.89 0.30 116.57 120.36 1nhn h LYS 37 Ca -0.14 -0.25 -0.03 0.00 -2.81 0.00 0.00 60.65 57.43 1nhn h LYS 37 Cb 1.81 -0.01 0.01 0.00 -1.00 0.00 0.00 32.23 33.04 1nhn h LYS 37 CO 0.20 0.81 -0.25 -0.22 -2.81 0.00 0.00 179.45 177.18 1nhn h LYS 38 N 0.46 -0.68 -0.54 1.90 3.64 -0.35 -1.72 116.57 119.28 1nhn h LYS 38 Ca 0.05 0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.57 1nhn h LYS 38 Cb 0.82 0.15 -0.08 0.00 -0.41 0.00 0.00 32.23 32.71 1nhn h LYS 38 CO 0.07 -0.39 0.10 -0.07 -2.27 0.00 0.00 179.45 176.89 1nhn h LEU 39 N -0.88 -0.01 -1.90 5.20 3.38 -0.99 0.11 115.31 120.22 1nhn h LEU 39 Ca -0.07 0.10 0.55 0.00 0.09 0.00 0.00 57.88 58.55 1nhn h LEU 39 Cb 0.61 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.42 1nhn h LEU 39 CO 0.12 0.01 1.41 0.61 0.09 0.00 0.00 178.44 180.68 1nhn n GLY 40 N -1.30 -0.97 0.23 0.83 0.00 0.10 -1.11 105.19 102.97 1nhn n GLY 40 Ca 0.07 0.66 -0.16 0.00 0.00 0.00 0.00 46.02 46.59 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 -3.85 0.48 -0.24 1.61 -0.58 0.16 -4.60 120.64 113.61 1nhn n GLU 41 Ca 0.43 0.20 0.10 0.00 -0.42 0.00 0.00 57.16 57.47 1nhn n GLU 41 Cb 1.98 -1.33 0.20 0.00 -0.57 0.00 0.00 31.44 31.72 1nhn n GLU 41 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1nhn n MET 42 N -4.23 -0.06 -0.21 3.49 2.81 0.04 -0.62 117.12 118.35 1nhn n MET 42 Ca -0.28 1.05 0.20 0.00 -1.81 0.00 0.00 57.70 56.86 1nhn n MET 42 Cb 0.62 -1.67 0.55 0.00 -0.71 0.00 0.00 33.22 32.01 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 0.43 0.26 2.03 2.91 -1.50 0.18 115.95 120.26 1nhn h TRP 43 Ca 0.42 0.01 -0.34 0.00 1.13 0.00 0.00 58.89 60.12 1nhn h TRP 43 Cb 0.87 -0.13 0.04 0.00 -0.51 0.00 0.00 29.16 29.42 1nhn h TRP 43 CO -0.36 0.12 -1.48 -0.91 -1.03 0.00 0.00 178.44 174.78 1nhn h ASN 44 N 0.33 0.85 -0.54 2.65 2.35 -1.14 -3.21 115.58 116.86 1nhn h ASN 44 Ca 0.44 -0.92 -0.33 0.00 -0.55 0.00 0.00 56.30 54.93 1nhn h ASN 44 Cb 1.18 -0.28 -0.16 0.00 0.05 0.00 0.00 38.32 39.11 1nhn h ASN 44 CO -0.14 1.71 0.43 0.59 -1.65 0.00 0.00 177.43 178.38 1nhn n ASN 45 N -3.73 5.34 -0.30 5.81 3.02 -0.16 -4.86 115.26 120.38 1nhn n ASN 45 Ca -0.17 -3.04 0.00 0.00 -0.03 0.00 0.00 54.58 51.33 1nhn n ASN 45 Cb 1.10 -0.90 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 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 -0.05 0.00 -1.39 3.41 5.66 0.45 -4.89 114.28 117.48 1nhn n THR 46 Ca 0.34 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 61.30 1nhn n THR 46 Cb 0.81 0.00 0.21 0.00 -1.55 0.00 0.00 70.33 69.79 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 4.23 -0.54 1.79 0.00 -1.26 -4.96 120.51 116.77 1nhn n ALA 47 Ca 0.00 -3.03 0.00 0.00 0.00 0.00 0.00 53.44 50.41 1nhn n ALA 47 Cb 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.06 -0.07 0.00 0.00 0.00 -1.26 -3.70 120.51 114.42 1nhn n ALA 48 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1nhn n ALA 48 Cb 1.06 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 20.40 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 0.21 1.28 -0.03 0.00 9.92 -1.26 -4.73 116.55 121.94 1nhn n ASP 49 Ca 0.00 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.39 1nhn n ASP 49 Cb 0.03 0.18 0.46 0.00 -0.64 0.00 0.00 41.12 41.16 1nhn n ASP 49 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1nhn n ASP 50 N -0.68 0.32 -0.09 -2.24 2.03 -1.24 -3.71 116.55 110.95 1nhn n ASP 50 Ca 0.00 -0.05 -0.23 0.00 0.52 0.00 0.00 54.79 55.03 1nhn n ASP 50 Cb 0.07 -0.09 -0.12 0.00 -0.72 0.00 0.00 41.12 40.26 1nhn n ASP 50 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1nhn n LYS 51 N -1.37 0.63 -0.21 -0.67 5.02 -1.26 -4.30 118.16 115.99 1nhn n LYS 51 Ca 0.08 0.38 -0.02 0.00 -2.02 0.00 0.00 58.31 56.73 1nhn n LYS 51 Cb 0.33 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 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 -4.03 -0.15 0.09 1.97 1.13 -1.24 0.18 117.38 115.33 1nhn n GLN 52 Ca -0.39 0.82 -0.13 0.00 -1.94 0.00 0.00 57.00 55.36 1nhn n GLN 52 Cb 0.85 -1.22 -0.06 0.00 0.11 0.00 0.00 30.24 29.93 1nhn n GLN 52 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1nhn h PRO 53 N 0.00 -0.51 -0.36 -1.09 0.13 -1.77 -2.60 132.00 125.80 1nhn h PRO 53 Ca 0.16 0.03 0.04 0.00 -0.87 0.00 0.00 66.00 65.36 1nhn h PRO 53 Cb 0.30 0.12 -0.04 0.00 0.13 0.00 0.00 31.00 31.51 1nhn h PRO 53 CO -0.53 -0.34 0.14 1.88 -0.23 0.00 0.00 178.00 178.92 1nhn h TYR 54 N -0.53 0.25 0.07 1.56 -1.99 -0.45 -3.13 116.97 112.75 1nhn h TYR 54 Ca 0.04 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.80 1nhn h TYR 54 Cb 0.59 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 39.24 1nhn h TYR 54 CO -0.33 0.11 -0.22 0.93 -0.00 0.00 0.00 178.16 178.65 1nhn h GLU 55 N 0.30 -0.32 0.00 4.88 4.39 -0.22 0.50 114.58 124.11 1nhn h GLU 55 Ca 0.16 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.88 1nhn h GLU 55 Cb 0.12 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1nhn h GLU 55 CO -0.15 -0.21 0.22 1.57 -1.16 0.00 0.00 179.01 179.27 1nhn h LYS 56 N -0.33 0.00 0.00 2.33 2.10 -1.49 0.19 116.57 119.37 1nhn h LYS 56 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1nhn h LYS 56 Cb 0.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 1nhn h LYS 56 CO -0.11 0.00 -0.02 -0.22 -2.00 0.00 0.00 179.45 177.10 1nhn h LYS 57 N 0.00 0.00 -0.70 0.07 3.64 -1.20 -2.93 116.57 115.45 1nhn h LYS 57 Ca 0.00 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.50 1nhn h LYS 57 Cb 0.43 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.17 1nhn h LYS 57 CO 0.00 0.00 0.26 0.00 -2.27 0.00 0.00 179.45 177.44 1nhn h ALA 58 N -1.82 0.94 -0.44 5.00 0.00 -0.63 -0.73 119.26 121.58 1nhn h ALA 58 Ca 0.00 0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.09 1nhn h ALA 58 Cb 0.02 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 1nhn h ALA 58 CO 0.00 -0.20 0.02 0.00 0.00 0.00 0.00 179.25 179.07 1nhn h ALA 59 N 1.50 0.43 0.08 0.00 0.00 -0.80 -0.67 119.26 119.79 1nhn h ALA 59 Ca 0.37 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1nhn h ALA 59 Cb 0.52 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1nhn h ALA 59 CO -0.37 -0.37 -0.06 -0.22 0.00 0.00 0.00 179.25 178.23 1nhn h LYS 60 N 0.13 -0.14 -0.37 0.00 3.64 -0.97 -0.67 116.57 118.19 1nhn h LYS 60 Ca 0.22 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.68 1nhn h LYS 60 Cb 0.31 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.10 1nhn h LYS 60 CO -0.35 -0.09 -0.04 -0.07 -2.27 0.00 0.00 179.45 176.63 1nhn h LEU 61 N -0.14 -0.24 -0.46 5.20 3.38 -0.58 -0.01 115.31 122.45 1nhn h LEU 61 Ca -0.00 0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.10 1nhn h LEU 61 Cb 0.13 0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 1nhn h LEU 61 CO -0.01 -0.08 0.23 0.11 0.09 0.00 0.00 178.44 178.79 1nhn h LYS 62 N 0.05 0.45 0.47 1.13 1.57 -0.91 -0.95 116.57 118.38 1nhn h LYS 62 Ca 0.18 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1nhn h LYS 62 Cb 0.26 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1nhn h LYS 62 CO -0.34 0.30 -0.45 1.49 -0.57 0.00 0.00 179.45 179.88 1nhn h GLU 63 N 0.46 -0.88 -0.43 3.15 4.81 -0.54 -0.94 114.58 120.22 1nhn h GLU 63 Ca 0.20 0.06 0.08 0.00 -0.13 0.00 0.00 59.36 59.57 1nhn h GLU 63 Cb 0.10 0.20 -0.09 0.00 0.63 0.00 0.00 28.75 29.58 1nhn h GLU 63 CO -0.14 -0.59 -0.31 -0.22 -0.73 0.00 0.00 179.01 177.03 1nhn h LYS 64 N -0.91 -0.22 -0.13 1.92 3.64 -0.83 -2.41 116.57 117.63 1nhn h LYS 64 Ca -0.06 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1nhn h LYS 64 Cb 0.78 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 1nhn h LYS 64 CO -0.04 -0.15 -0.15 -0.92 -2.27 0.00 0.00 179.45 175.92 1nhn h TYR 65 N -0.23 -0.47 -1.51 1.91 3.20 -0.90 0.26 116.97 119.24 1nhn h TYR 65 Ca 0.18 0.02 0.47 0.00 3.14 0.00 0.00 58.73 62.55 1nhn h TYR 65 Cb 0.53 0.22 -0.10 0.00 1.54 0.00 0.00 36.73 38.92 1nhn h TYR 65 CO -0.54 -0.13 1.04 0.39 -1.64 0.00 0.00 178.16 177.28 1nhn n GLU 66 N -3.45 -0.02 -0.03 1.82 -0.58 -0.38 0.10 120.64 118.10 1nhn n GLU 66 Ca -0.01 1.06 -0.21 0.00 -0.42 0.00 0.00 57.16 57.58 1nhn n GLU 66 Cb 0.09 -2.25 -0.13 0.00 -0.57 0.00 0.00 31.44 28.58 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 0.15 0.00 3.49 6.56 -0.96 -3.05 116.57 122.75 1nhn h LYS 67 Ca 0.82 -0.25 -0.01 0.00 -1.06 0.00 0.00 60.65 60.15 1nhn h LYS 67 Cb 2.98 0.09 -0.00 0.00 -0.57 0.00 0.00 32.23 34.73 1nhn h LYS 67 CO -0.22 1.12 -0.04 0.22 -2.06 0.00 0.00 179.45 178.46 1nhn h ASP 68 N -0.54 0.00 0.02 0.86 3.58 0.12 -0.09 116.42 120.37 1nhn h ASP 68 Ca -0.30 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.03 1nhn h ASP 68 Cb 1.58 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.64 1nhn h ASP 68 CO -0.03 0.04 -0.44 -0.29 -2.88 0.00 0.00 179.24 175.64 1nhn h ILE 69 N 0.00 1.51 -0.69 2.25 -0.00 -0.45 -1.71 117.51 118.43 1nhn h ILE 69 Ca -0.00 -2.09 0.13 0.00 -0.00 0.00 0.00 64.86 62.90 1nhn h ILE 69 Cb 0.11 2.79 -0.04 0.00 -0.00 0.00 0.00 36.82 39.68 1nhn h ILE 69 CO 0.01 0.59 0.46 0.00 -0.00 0.00 0.00 178.15 179.21 1nhn h ALA 70 N 0.25 2.10 0.00 0.18 0.00 -1.04 0.13 119.26 120.87 1nhn h ALA 70 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1nhn h ALA 70 Cb 1.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1nhn h ALA 70 CO 0.09 -0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.07 1nhn h ALA 71 N 1.67 1.00 0.03 0.00 0.00 -0.84 -3.08 119.26 118.04 1nhn h ALA 71 Ca 0.33 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.86 1nhn h ALA 71 Cb 0.74 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1nhn h ALA 71 CO -0.10 0.00 -2.21 0.98 0.00 0.00 0.00 179.25 177.92 1nhn n TYR 72 N -2.63 0.43 -0.06 0.00 9.36 0.02 -4.43 117.16 119.85 1nhn n TYR 72 Ca 0.04 0.13 -0.08 0.00 3.32 0.00 0.00 57.90 61.30 1nhn n TYR 72 Cb 0.43 -1.05 -0.02 0.00 -0.63 0.00 0.00 39.34 38.07 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 -0.41 -0.26 -0.31 2.98 9.65 -0.94 -2.64 114.38 122.44 1nhn h ARG 73 Ca -0.55 0.02 0.10 0.00 -1.10 0.00 0.00 59.98 58.46 1nhn h ARG 73 Cb 1.76 0.06 -0.06 0.00 -1.39 0.00 0.00 29.97 30.34 1nhn h ARG 73 CO -0.16 -0.17 0.07 0.00 2.80 0.00 0.00 179.97 182.51 1nhn n ALA 74 N -2.86 0.23 -0.20 2.80 0.00 -1.16 -2.47 120.51 116.84 1nhn n ALA 74 Ca -0.01 0.33 -0.05 0.00 0.00 0.00 0.00 53.44 53.71 1nhn n ALA 74 Cb 0.31 -0.27 -0.05 0.00 0.00 0.00 0.00 19.45 19.44 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 -4.02 -0.21 0.00 0.00 4.81 -1.00 -3.50 118.16 114.25 1nhn n LYS 75 Ca 0.09 1.05 -0.20 0.00 -0.87 0.00 0.00 58.31 58.38 1nhn n LYS 75 Cb 0.31 -1.55 -0.14 0.00 0.02 0.00 0.00 35.03 33.67 1nhn n LYS 75 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nhn n GLY 76 N -1.12 -0.59 0.13 3.14 0.00 -1.03 -4.27 105.19 101.44 1nhn n GLY 76 Ca 0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.44 -0.11 0.08 1.61 4.76 -1.23 0.40 118.16 120.23 1nhn n LYS 77 Ca -0.31 0.50 -0.12 0.00 -2.87 0.00 0.00 58.31 55.52 1nhn n LYS 77 Cb 1.05 -0.74 -0.13 0.00 -1.84 0.00 0.00 35.03 33.37 1nhn n LYS 77 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1nhn h PRO 78 N 0.00 0.13 -6.85 1.97 0.13 -1.81 -3.48 132.00 122.09 1nhn h PRO 78 Ca 0.08 -0.23 -0.40 0.00 -0.87 0.00 0.00 66.00 64.59 1nhn h PRO 78 Cb 0.17 0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.37 1nhn h PRO 78 CO -0.32 1.08 -0.72 -3.47 -0.23 0.00 0.00 178.00 174.34 1nhn n ASP 79 N -3.42 -2.97 -3.97 1.44 2.03 0.16 -4.90 116.55 104.92 1nhn n ASP 79 Ca -0.05 -0.84 -0.31 0.00 0.52 0.00 0.00 54.79 54.11 1nhn n ASP 79 Cb 0.99 -1.09 -0.12 0.00 -0.72 0.00 0.00 41.12 40.18 1nhn n ASP 79 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nhn s ALA 80 N -3.59 3.65 -2.14 -1.67 0.00 -1.26 -5.14 121.76 111.61 1nhn s ALA 80 Ca 0.24 -3.56 0.31 0.00 0.00 0.00 0.00 51.96 48.95 1nhn s ALA 80 Cb -0.13 -2.31 1.67 0.00 0.00 0.00 0.00 23.12 22.35 1nhn s ALA 80 CO 0.66 -2.08 2.10 0.00 0.00 0.00 0.00 175.76 176.44