#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 -0.10 -1.08 -2.53 0.00 -1.26 -4.79 120.51 110.75 1nhn n ALA 4 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1nhn n ALA 4 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.03 0.00 -3.51 0.00 -0.02 -1.26 -5.01 135.00 125.17 1nhn n PRO 5 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.20 1nhn n PRO 5 Cb 0.00 -0.96 -0.14 0.00 -0.02 0.00 0.00 33.50 32.38 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 -1.46 0.29 0.00 -0.52 -2.85 -1.26 -5.02 119.74 108.91 1nhn s LYS 6 Ca 0.46 -0.71 0.00 0.00 -1.00 0.00 0.00 55.97 54.72 1nhn s LYS 6 Cb -0.32 -1.16 0.00 0.00 -2.06 0.00 0.00 37.83 34.29 1nhn s LYS 6 CO 0.72 -1.07 0.00 0.54 0.10 0.00 0.00 175.35 175.64 1nhn n ARG 7 N 4.94 0.00 -0.84 1.78 1.74 -1.26 -4.85 116.66 118.18 1nhn n ARG 7 Ca -0.01 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.76 1nhn n ARG 7 Cb 0.41 0.00 0.15 0.00 -1.02 0.00 0.00 32.46 32.00 1nhn n ARG 7 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 1nhn s PRO 8 N 0.00 1.18 0.24 5.56 0.02 -1.26 -4.94 135.00 135.80 1nhn s PRO 8 Ca 0.00 1.38 -0.28 0.00 0.02 0.00 0.00 61.00 62.12 1nhn s PRO 8 Cb 0.00 -1.76 -0.16 0.00 0.02 0.00 0.00 34.50 32.60 1nhn s PRO 8 CO 0.00 -2.46 0.72 -2.30 -0.33 0.00 0.00 177.00 172.63 1nhn n PRO 9 N -4.10 0.58 -3.64 5.54 -0.02 -1.26 -4.93 135.00 127.17 1nhn n PRO 9 Ca 0.10 0.20 -0.04 0.00 -2.02 0.00 0.00 63.50 61.75 1nhn n PRO 9 Cb 0.53 -1.37 -0.06 0.00 -0.02 0.00 0.00 33.50 32.58 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 -0.81 -0.80 0.00 2.55 0.15 -1.26 -4.76 113.70 108.76 1nhn s SER 10 Ca 0.62 1.34 0.00 0.00 0.70 0.00 0.00 55.95 58.60 1nhn s SER 10 Cb -0.82 1.94 0.00 0.00 -1.71 0.00 0.00 66.02 65.42 1nhn s SER 10 CO 0.58 -0.23 0.00 0.00 1.20 0.00 0.00 173.24 174.79 1nhn n ALA 11 N 5.43 0.00 0.18 5.45 0.00 -1.26 -4.04 120.51 126.27 1nhn n ALA 11 Ca -0.10 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.40 1nhn n ALA 11 Cb 0.49 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.14 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 0.70 0.00 3.57 -1.94 -3.31 116.94 115.96 1nhn h PHE 12 Ca 0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 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 0.31 -0.41 0.35 -2.23 0.00 0.00 178.31 176.33 1nhn h PHE 13 N 0.00 -1.09 -0.99 0.41 3.57 -1.86 0.71 116.94 117.70 1nhn h PHE 13 Ca -0.00 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.63 1nhn h PHE 13 Cb 1.10 0.38 -0.16 0.00 2.79 0.00 0.00 35.95 40.07 1nhn h PHE 13 CO 0.00 -0.62 -0.40 -0.07 -2.23 0.00 0.00 178.31 174.99 1nhn h LEU 14 N -1.03 -1.47 -0.56 0.59 -0.00 -1.91 0.46 115.31 111.39 1nhn h LEU 14 Ca -0.09 0.31 0.02 0.00 -0.00 0.00 0.00 57.88 58.12 1nhn h LEU 14 Cb 0.82 0.77 -0.03 0.00 -0.00 0.00 0.00 40.66 42.21 1nhn h LEU 14 CO 0.11 -0.29 0.35 0.15 -0.00 0.00 0.00 178.44 178.76 1nhn h PHE 15 N -0.01 0.65 0.34 1.13 3.57 -1.62 -2.91 116.94 118.09 1nhn h PHE 15 Ca 0.33 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.85 1nhn h PHE 15 Cb 0.59 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 1nhn h PHE 15 CO -0.88 0.38 -0.30 0.00 -2.23 0.00 0.00 178.31 175.28 1nhn n SER 17 N -5.42 -0.74 -0.35 0.00 7.64 0.06 0.21 113.62 115.02 1nhn n SER 17 Ca -0.10 1.50 0.10 0.00 1.01 0.00 0.00 58.87 61.38 1nhn n SER 17 Cb 0.32 -0.29 0.20 0.00 -1.01 0.00 0.00 64.21 63.44 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 0.00 0.00 1.43 4.39 -1.40 -3.28 114.58 115.73 1nhn h GLU 18 Ca 0.11 -0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.45 1nhn h GLU 18 Cb 0.29 -0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.87 1nhn h GLU 18 CO -0.66 0.00 -2.38 0.66 -1.16 0.00 0.00 179.01 175.47 1nhn n TYR 19 N -5.56 0.00 -0.24 4.33 4.02 -0.57 -4.64 117.16 114.50 1nhn n TYR 19 Ca 0.19 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 58.02 1nhn n TYR 19 Cb 0.61 -0.93 -0.05 0.00 -0.02 0.00 0.00 39.34 38.94 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 -3.23 -0.25 0.09 -0.72 0.00 0.13 0.64 116.66 113.33 1nhn n ARG 20 Ca -0.43 0.86 0.12 0.00 -0.00 0.00 0.00 57.85 58.41 1nhn n ARG 20 Cb 0.96 -1.27 0.45 0.00 0.00 0.00 0.00 32.46 32.60 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 -4.72 0.19 -0.07 -0.14 -0.04 -1.26 -1.38 135.00 127.58 1nhn n PRO 21 Ca 0.01 0.26 -0.09 0.00 -0.04 0.00 0.00 63.50 63.64 1nhn n PRO 21 Cb 0.15 -1.76 -0.06 0.00 -0.04 0.00 0.00 33.50 31.79 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 0.00 -0.12 0.54 1.79 -0.05 -2.27 116.57 116.46 1nhn h LYS 22 Ca 0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1nhn h LYS 22 Cb 0.55 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.20 1nhn h LYS 22 CO 0.00 0.47 0.06 -0.84 -1.08 0.00 0.00 179.45 178.05 1nhn h ILE 23 N -1.00 1.10 -1.00 1.86 3.07 -0.99 0.10 117.51 120.65 1nhn h ILE 23 Ca -0.07 -0.29 0.25 0.00 1.55 0.00 0.00 64.86 66.30 1nhn h ILE 23 Cb 0.64 1.09 -0.08 0.00 -0.27 0.00 0.00 36.82 38.19 1nhn h ILE 23 CO -0.04 0.09 0.65 0.50 -1.05 0.00 0.00 178.15 178.30 1nhn h LYS 24 N 0.08 0.38 -0.76 0.16 3.11 -1.36 0.71 116.57 118.88 1nhn h LYS 24 Ca 0.04 -0.02 0.13 0.00 -2.81 0.00 0.00 60.65 57.99 1nhn h LYS 24 Cb 0.09 -0.08 -0.09 0.00 -1.00 0.00 0.00 32.23 31.15 1nhn h LYS 24 CO -0.01 0.25 0.33 0.78 -2.81 0.00 0.00 179.45 177.99 1nhn h GLY 25 N 0.39 1.16 1.30 5.01 0.00 -0.35 -0.13 103.07 110.45 1nhn h GLY 25 Ca 0.55 -0.17 -0.13 0.00 0.00 0.00 0.00 47.33 47.57 1nhn h GLY 25 CO -0.24 -0.06 -1.09 0.83 0.00 0.00 0.00 176.54 175.98 1nhn h GLU 26 N 0.50 0.00 -2.28 4.80 5.08 -0.15 -3.38 114.58 119.15 1nhn h GLU 26 Ca 0.41 0.00 -0.70 0.00 -1.00 0.00 0.00 59.36 58.07 1nhn h GLU 26 Cb 0.58 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 29.49 1nhn h GLU 26 CO -0.37 0.32 0.19 0.72 -1.00 0.00 0.00 179.01 178.87 1nhn n HIS 27 N -2.97 3.41 0.18 4.33 8.25 0.21 -4.82 115.22 123.82 1nhn n HIS 27 Ca -0.05 -3.29 -0.03 0.00 -0.26 0.00 0.00 57.72 54.09 1nhn n HIS 27 Cb 0.78 -0.84 0.01 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 -0.13 1.13 0.00 -0.41 -0.04 -0.23 -2.44 135.00 132.89 1nhn n PRO 28 Ca 0.39 -0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1nhn n PRO 28 Cb 0.33 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 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 0.77 0.00 3.99 0.55 0.00 -1.26 -5.08 105.19 104.15 1nhn n GLY 29 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.12 2.95 0.00 0.99 1.43 -1.02 -5.12 118.68 115.78 1nhn s LEU 30 Ca 0.00 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 1nhn s LEU 30 Cb 0.00 -2.00 -0.00 0.00 0.03 0.00 0.00 46.19 44.22 1nhn s LEU 30 CO 0.00 -1.94 0.02 -0.24 0.23 0.00 0.00 176.35 174.42 1nhn n SER 31 N -2.92 2.16 -1.68 2.29 2.88 -1.26 -4.98 113.62 110.11 1nhn n SER 31 Ca 0.15 -1.96 0.00 0.00 -1.33 0.00 0.00 58.87 55.73 1nhn n SER 31 Cb 0.60 0.24 0.28 0.00 -0.75 0.00 0.00 64.21 64.59 1nhn n SER 31 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nhn n ILE 32 N -0.51 2.30 -0.03 2.46 3.06 -1.26 -1.68 119.36 123.70 1nhn n ILE 32 Ca -0.07 -1.19 -0.04 0.00 -2.50 0.00 0.00 62.75 58.95 1nhn n ILE 32 Cb 0.28 -0.38 -0.04 0.00 0.54 0.00 0.00 39.64 40.04 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 0.22 -0.18 0.13 4.50 0.00 -1.26 -4.32 105.19 104.28 1nhn n GLY 33 Ca 0.27 -0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.44 1.95 -0.25 1.61 2.03 -1.16 -2.99 116.55 115.30 1nhn n ASP 34 Ca -0.10 0.35 0.24 0.00 0.52 0.00 0.00 54.79 55.80 1nhn n ASP 34 Cb 0.65 -0.82 0.60 0.00 -0.72 0.00 0.00 41.12 40.83 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 -1.00 0.59 0.19 5.18 2.07 -1.63 0.43 116.25 122.08 1nhn h VAL 35 Ca -0.57 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 1nhn h VAL 35 Cb 1.49 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1nhn h VAL 35 CO -0.34 0.04 -0.09 0.00 0.02 0.00 0.00 177.57 177.20 1nhn h ALA 36 N 1.58 -0.26 -0.18 1.67 0.00 -1.75 -0.62 119.26 119.70 1nhn h ALA 36 Ca 0.49 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 1nhn h ALA 36 Cb 1.49 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 1nhn h ALA 36 CO -0.14 -0.49 -0.04 0.87 0.00 0.00 0.00 179.25 179.45 1nhn h LYS 37 N -0.56 0.26 0.46 0.00 1.79 -0.21 0.22 116.57 118.53 1nhn h LYS 37 Ca -0.03 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.38 1nhn h LYS 37 Cb 0.42 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 1nhn h LYS 37 CO 0.04 0.33 -0.22 -0.22 -1.08 0.00 0.00 179.45 178.30 1nhn h LYS 38 N 0.26 -0.60 -0.45 3.15 3.64 -0.46 -0.71 116.57 121.40 1nhn h LYS 38 Ca 0.06 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.52 1nhn h LYS 38 Cb 0.25 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.17 1nhn h LYS 38 CO 0.01 -0.29 0.22 -0.07 -2.27 0.00 0.00 179.45 177.05 1nhn h LEU 39 N -1.00 0.31 -1.49 5.20 3.38 -1.00 0.16 115.31 120.87 1nhn h LEU 39 Ca -0.06 0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.05 1nhn h LEU 39 Cb 0.58 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1nhn h LEU 39 CO 0.10 0.22 0.68 1.23 0.09 0.00 0.00 178.44 180.77 1nhn h GLY 40 N 0.44 0.00 0.01 0.83 0.00 -0.41 0.26 103.07 104.20 1nhn h GLY 40 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 47.09 1nhn h GLY 40 CO -0.14 0.00 -2.50 -1.84 0.00 0.00 0.00 176.54 172.06 1nhn n GLU 41 N -3.23 0.61 0.00 4.80 0.28 -0.07 -4.30 120.64 118.73 1nhn n GLU 41 Ca 0.08 0.22 0.09 0.00 -0.16 0.00 0.00 57.16 57.39 1nhn n GLU 41 Cb 0.84 -1.51 0.50 0.00 1.43 0.00 0.00 31.44 32.70 1nhn n GLU 41 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1nhn n MET 42 N -3.86 0.49 0.05 3.44 2.81 0.36 -3.23 117.12 117.18 1nhn n MET 42 Ca -0.51 0.03 -0.22 0.00 -1.81 0.00 0.00 57.70 55.19 1nhn n MET 42 Cb 0.93 -1.50 -0.14 0.00 -0.71 0.00 0.00 33.22 31.79 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 0.58 -0.02 2.03 2.91 -0.80 -3.21 115.95 117.44 1nhn h TRP 43 Ca 0.00 -0.42 0.00 0.00 1.13 0.00 0.00 58.89 59.60 1nhn h TRP 43 Cb 0.03 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 28.66 1nhn h TRP 43 CO 0.00 1.52 0.00 0.27 -1.03 0.00 0.00 178.44 179.20 1nhn n ASN 44 N -3.89 0.28 -1.08 2.65 2.04 -1.20 -2.57 115.26 111.49 1nhn n ASN 44 Ca -0.21 -1.35 0.05 0.00 -0.44 0.00 0.00 54.58 52.62 1nhn n ASN 44 Cb 0.94 -0.01 0.26 0.00 -2.53 0.00 0.00 39.78 38.43 1nhn n ASN 44 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1nhn n ASN 45 N -0.66 3.76 -1.49 0.53 3.02 -1.22 -4.96 115.26 114.25 1nhn n ASN 45 Ca 0.17 -3.18 0.00 0.00 -0.03 0.00 0.00 54.58 51.54 1nhn n ASN 45 Cb 0.12 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 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 -0.57 0.00 -1.05 3.41 5.66 -1.06 -4.97 114.28 115.69 1nhn n THR 46 Ca 0.26 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 61.32 1nhn n THR 46 Cb 0.98 0.00 0.26 0.00 -1.55 0.00 0.00 70.33 70.02 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 3.29 -0.45 1.79 0.00 -1.26 -4.94 120.51 115.94 1nhn n ALA 47 Ca 0.00 -2.40 -0.00 0.00 0.00 0.00 0.00 53.44 51.04 1nhn n ALA 47 Cb 0.00 -0.77 -0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 -0.52 -0.00 0.00 0.00 0.00 -1.26 -4.04 120.51 114.69 1nhn n ALA 48 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1nhn n ALA 48 Cb 0.96 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 20.28 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 2.09 0.30 -1.00 0.00 -0.08 -1.26 -4.68 116.55 111.92 1nhn n ASP 49 Ca -0.00 -0.14 0.12 0.00 -1.51 0.00 0.00 54.79 53.26 1nhn n ASP 49 Cb 0.01 0.33 0.13 0.00 2.34 0.00 0.00 41.12 43.93 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 -0.36 3.10 -0.02 1.67 -0.08 -1.26 -3.92 116.55 115.68 1nhn n ASP 50 Ca 0.00 -1.98 -0.05 0.00 -1.51 0.00 0.00 54.79 51.25 1nhn n ASP 50 Cb 0.00 -0.06 -0.13 0.00 2.34 0.00 0.00 41.12 43.27 1nhn n ASP 50 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1nhn n LYS 51 N 1.37 0.64 -0.27 -0.67 5.02 -1.26 -4.27 118.16 118.72 1nhn n LYS 51 Ca 0.15 0.17 0.01 0.00 -2.02 0.00 0.00 58.31 56.62 1nhn n LYS 51 Cb 0.59 -1.72 0.09 0.00 -0.02 0.00 0.00 35.03 33.97 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 -0.01 0.20 1.97 1.08 -1.87 0.30 115.11 116.78 1nhn h GLN 52 Ca -0.28 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 56.93 1nhn h GLN 52 Cb 1.85 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 29.25 1nhn h GLN 52 CO 0.05 -0.01 -0.34 -1.00 -0.95 0.00 0.00 178.83 176.58 1nhn h PRO 53 N -0.01 -0.60 -0.16 1.46 0.13 -1.83 -3.06 132.00 127.94 1nhn h PRO 53 Ca 0.36 0.04 0.05 0.00 -0.87 0.00 0.00 66.00 65.58 1nhn h PRO 53 Cb 0.56 0.14 -0.05 0.00 0.13 0.00 0.00 31.00 31.78 1nhn h PRO 53 CO -0.79 -0.40 -0.15 1.88 -0.23 0.00 0.00 178.00 178.31 1nhn h TYR 54 N -0.62 -0.38 0.22 1.56 0.05 -1.23 -3.19 116.97 113.38 1nhn h TYR 54 Ca 0.01 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.81 1nhn h TYR 54 Cb 0.61 0.19 -0.01 0.00 1.01 0.00 0.00 36.73 38.54 1nhn h TYR 54 CO -0.26 -0.22 -0.15 1.05 -1.05 0.00 0.00 178.16 177.53 1nhn h GLU 55 N -0.17 -0.35 -0.79 4.88 4.11 -0.53 0.15 114.58 121.87 1nhn h GLU 55 Ca 0.10 0.02 0.23 0.00 0.07 0.00 0.00 59.36 59.79 1nhn h GLU 55 Cb 0.33 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1nhn h GLU 55 CO -0.26 -0.23 0.64 1.57 0.07 0.00 0.00 179.01 180.80 1nhn h LYS 56 N -0.36 0.00 0.00 1.06 5.09 -1.52 0.20 116.57 121.04 1nhn h LYS 56 Ca -0.02 0.00 -0.07 0.00 0.09 0.00 0.00 60.65 60.65 1nhn h LYS 56 Cb 0.31 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.63 1nhn h LYS 56 CO 0.01 0.00 -0.53 -0.22 -2.09 0.00 0.00 179.45 176.62 1nhn h LYS 57 N 0.00 0.00 -0.90 0.07 3.64 -1.43 -3.06 116.57 114.89 1nhn h LYS 57 Ca 0.38 0.00 0.24 0.00 -1.27 0.00 0.00 60.65 59.99 1nhn h LYS 57 Cb 1.66 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 33.32 1nhn h LYS 57 CO -0.00 0.56 0.05 0.00 -2.27 0.00 0.00 179.45 177.79 1nhn h ALA 58 N -0.60 1.07 0.29 5.00 0.00 0.26 0.61 119.26 125.89 1nhn h ALA 58 Ca -0.11 0.29 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1nhn h ALA 58 Cb 0.78 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1nhn h ALA 58 CO -0.07 -0.51 -0.23 0.00 0.00 0.00 0.00 179.25 178.45 1nhn h ALA 59 N 1.87 -0.51 -0.68 0.00 0.00 -0.77 -1.42 119.26 117.75 1nhn h ALA 59 Ca 0.54 -0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.49 1nhn h ALA 59 Cb 1.06 0.30 -0.13 0.00 0.00 0.00 0.00 17.79 19.02 1nhn h ALA 59 CO -0.80 -0.81 -0.20 -0.22 0.00 0.00 0.00 179.25 177.22 1nhn h LYS 60 N -0.53 -0.02 0.05 0.00 3.64 0.28 0.90 116.57 120.89 1nhn h LYS 60 Ca -0.02 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1nhn h LYS 60 Cb 0.46 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 1nhn h LYS 60 CO -0.01 -0.02 -0.30 -0.07 -2.27 0.00 0.00 179.45 176.78 1nhn h LEU 61 N -0.03 -0.88 -0.76 5.20 3.38 -0.47 0.11 115.31 121.86 1nhn h LEU 61 Ca 0.32 0.11 0.09 0.00 0.09 0.00 0.00 57.88 58.49 1nhn h LEU 61 Cb 0.51 0.35 -0.07 0.00 0.09 0.00 0.00 40.66 41.54 1nhn h LEU 61 CO -0.71 -0.38 0.41 0.11 0.09 0.00 0.00 178.44 177.97 1nhn h LYS 62 N -0.48 0.68 0.63 1.13 1.79 -0.21 -0.98 116.57 119.13 1nhn h LYS 62 Ca 0.05 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1nhn h LYS 62 Cb 0.54 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.02 1nhn h LYS 62 CO -0.22 0.45 -0.49 1.49 -1.08 0.00 0.00 179.45 179.60 1nhn h GLU 63 N 0.70 -1.04 -0.82 3.15 4.81 -0.26 -1.02 114.58 120.11 1nhn h GLU 63 Ca 0.37 0.07 0.14 0.00 -0.13 0.00 0.00 59.36 59.81 1nhn h GLU 63 Cb 0.34 0.24 -0.15 0.00 0.63 0.00 0.00 28.75 29.81 1nhn h GLU 63 CO -0.25 -0.70 -0.32 -0.22 -0.73 0.00 0.00 179.01 176.80 1nhn h LYS 64 N -1.08 -0.05 0.08 1.92 3.11 -0.14 -0.98 116.57 119.43 1nhn h LYS 64 Ca -0.08 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.76 1nhn h LYS 64 Cb 0.90 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.13 1nhn h LYS 64 CO 0.02 -0.03 -0.17 -0.92 -2.81 0.00 0.00 179.45 175.53 1nhn h TYR 65 N -0.05 -0.49 -1.88 1.91 5.03 -0.84 -1.58 116.97 119.06 1nhn h TYR 65 Ca 0.33 0.01 0.55 0.00 2.58 0.00 0.00 58.73 62.20 1nhn h TYR 65 Cb 0.59 0.20 -0.08 0.00 1.55 0.00 0.00 36.73 38.99 1nhn h TYR 65 CO -0.73 -0.21 1.34 0.93 -1.32 0.00 0.00 178.16 178.18 1nhn h GLU 66 N -0.28 0.00 0.00 1.82 5.08 0.14 0.13 114.58 121.48 1nhn h GLU 66 Ca -0.01 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1nhn h GLU 66 Cb 0.26 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1nhn h GLU 66 CO -0.07 0.00 -0.02 0.87 -1.00 0.00 0.00 179.01 178.79 1nhn h LYS 67 N 0.00 0.00 0.00 2.33 6.56 -0.71 -1.41 116.57 123.34 1nhn h LYS 67 Ca 0.90 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 60.47 1nhn h LYS 67 Cb 3.59 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 35.25 1nhn h LYS 67 CO -0.04 0.86 -0.10 0.22 -2.06 0.00 0.00 179.45 178.33 1nhn h ASP 68 N -1.00 0.00 -0.04 0.86 3.58 -0.16 0.10 116.42 119.77 1nhn h ASP 68 Ca -0.01 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 1nhn h ASP 68 Cb 0.87 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.92 1nhn h ASP 68 CO -0.00 0.10 -0.08 -0.29 -2.88 0.00 0.00 179.24 176.09 1nhn h ILE 69 N 0.00 1.44 -0.21 2.25 -0.00 -0.87 -1.95 117.51 118.17 1nhn h ILE 69 Ca -0.00 -1.44 0.06 0.00 -0.00 0.00 0.00 64.86 63.48 1nhn h ILE 69 Cb 0.27 2.31 -0.01 0.00 -0.00 0.00 0.00 36.82 39.39 1nhn h ILE 69 CO 0.01 0.39 0.19 0.00 -0.00 0.00 0.00 178.15 178.74 1nhn h ALA 70 N 0.44 1.97 0.00 0.18 0.00 -0.09 0.45 119.26 122.22 1nhn h ALA 70 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1nhn h ALA 70 Cb 0.67 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1nhn h ALA 70 CO 0.02 -0.30 -0.36 0.00 0.00 0.00 0.00 179.25 178.61 1nhn h ALA 71 N 1.82 0.80 -0.00 0.00 0.00 -0.47 -1.36 119.26 120.04 1nhn h ALA 71 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1nhn h ALA 71 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1nhn h ALA 71 CO -0.00 0.00 -0.32 0.98 0.00 0.00 0.00 179.25 179.91 1nhn n TYR 72 N -2.57 0.00 -0.06 0.00 4.19 0.01 -3.91 117.16 114.83 1nhn n TYR 72 Ca 0.03 0.00 -0.09 0.00 3.31 0.00 0.00 57.90 61.15 1nhn n TYR 72 Cb 0.49 0.00 -0.05 0.00 0.49 0.00 0.00 39.34 40.27 1nhn n TYR 72 CO 0.00 0.00 0.00 -2.13 0.91 0.00 0.00 176.86 175.64 1nhn n ARG 73 N -0.84 0.28 -1.82 2.98 0.00 0.14 -4.59 116.66 112.81 1nhn n ARG 73 Ca 0.02 0.08 -0.28 0.00 -0.00 0.00 0.00 57.85 57.67 1nhn n ARG 73 Cb 0.15 -1.17 0.04 0.00 0.00 0.00 0.00 32.46 31.49 1nhn n ARG 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1nhn n ALA 74 N -2.99 5.47 -0.05 5.13 0.00 -0.51 -4.95 120.51 122.60 1nhn n ALA 74 Ca -0.21 -3.72 0.00 0.00 0.00 0.00 0.00 53.44 49.51 1nhn n ALA 74 Cb 0.71 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.34 1nhn n ALA 74 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1nhn n LYS 75 N -0.77 0.00 0.09 0.00 2.85 -1.23 -4.63 118.16 114.47 1nhn n LYS 75 Ca 0.50 0.04 0.00 0.00 -1.05 0.00 0.00 58.31 57.80 1nhn n LYS 75 Cb 0.85 -0.07 0.00 0.00 -0.65 0.00 0.00 35.03 35.16 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 -0.62 -0.45 0.00 2.58 0.00 -1.26 -4.91 105.19 100.52 1nhn n GLY 76 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1nhn n GLY 76 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1nhn n LYS 77 N -3.00 0.00 -1.54 1.61 3.00 -1.26 -4.97 118.16 112.00 1nhn n LYS 77 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.01 1nhn n LYS 77 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.97 1nhn n LYS 77 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1nhn n PRO 78 N 0.00 3.19 -1.37 1.64 -0.04 -1.26 -4.37 135.00 132.80 1nhn n PRO 78 Ca 0.00 -2.45 -0.27 0.00 -0.04 0.00 0.00 63.50 60.75 1nhn n PRO 78 Cb 0.00 -2.36 0.10 0.00 -0.04 0.00 0.00 33.50 31.21 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 1.76 5.71 -2.73 3.54 -0.08 -1.26 -4.50 116.55 118.99 1nhn n ASP 79 Ca 0.56 -3.75 -0.09 0.00 -1.51 0.00 0.00 54.79 50.00 1nhn n ASP 79 Cb 0.48 -0.78 0.08 0.00 2.34 0.00 0.00 41.12 43.23 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 -0.95 1.70 0.18 -1.67 0.00 -1.26 -5.19 120.51 113.31 1nhn n ALA 80 Ca 0.55 -2.03 0.02 0.00 0.00 0.00 0.00 53.44 51.97 1nhn n ALA 80 Cb 0.96 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 19.43 1nhn n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50