#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 -0.24 -1.00 -2.53 0.00 -1.26 -4.76 120.51 110.72 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 0.02 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 -0.05 0.00 -3.76 0.00 -0.02 -1.26 -5.00 135.00 124.91 1nhn n PRO 5 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.18 1nhn n PRO 5 Cb 0.00 -0.85 -0.15 0.00 -0.02 0.00 0.00 33.50 32.48 1nhn n PRO 5 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1nhn s LYS 6 N -1.10 0.79 0.00 -0.52 1.02 -1.26 -5.05 119.74 113.61 1nhn s LYS 6 Ca 0.44 -1.09 0.00 0.00 0.02 0.00 0.00 55.97 55.35 1nhn s LYS 6 Cb -0.35 -2.09 0.00 0.00 -0.52 0.00 0.00 37.83 34.87 1nhn s LYS 6 CO 0.61 -0.95 0.00 0.54 -0.92 0.00 0.00 175.35 174.62 1nhn n ARG 7 N 4.81 0.00 -0.56 1.68 1.74 -1.26 -4.92 116.66 118.15 1nhn n ARG 7 Ca -0.02 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.86 1nhn n ARG 7 Cb 0.42 0.00 0.17 0.00 -1.02 0.00 0.00 32.46 32.04 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 0.00 -2.81 -0.66 5.56 -0.02 -1.26 -4.98 135.00 130.83 1nhn n PRO 8 Ca 0.00 -1.12 -0.22 0.00 -2.02 0.00 0.00 63.50 60.14 1nhn n PRO 8 Cb 0.00 -1.14 0.02 0.00 -0.02 0.00 0.00 33.50 32.36 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 -3.94 0.00 -0.69 0.52 -0.02 -1.26 -4.93 135.00 124.68 1nhn n PRO 9 Ca 0.10 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.63 1nhn n PRO 9 Cb 0.40 -0.59 0.09 0.00 -0.02 0.00 0.00 33.50 33.37 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 1.79 1.25 0.00 2.55 2.88 -1.26 -4.76 113.62 116.07 1nhn n SER 10 Ca 0.02 -2.74 0.00 0.00 -1.33 0.00 0.00 58.87 54.82 1nhn n SER 10 Cb 0.31 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 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 -0.49 0.00 0.56 -1.46 0.00 -1.26 -4.54 120.51 113.32 1nhn n ALA 11 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.67 1nhn n ALA 11 Cb 0.80 0.00 0.40 0.00 0.00 0.00 0.00 19.45 20.65 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 0.01 0.00 3.57 -1.94 -3.22 116.94 115.36 1nhn h PHE 12 Ca 0.00 0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.29 1nhn h PHE 12 Cb 0.00 0.00 0.02 0.00 2.79 0.00 0.00 35.95 38.76 1nhn h PHE 12 CO 0.00 0.00 -0.80 0.35 -2.23 0.00 0.00 178.31 175.63 1nhn h PHE 13 N 0.00 0.80 0.19 0.41 3.04 -1.93 -1.22 116.94 118.23 1nhn h PHE 13 Ca 0.00 -0.44 0.01 0.00 3.98 0.00 0.00 57.97 61.52 1nhn h PHE 13 Cb 0.71 -0.09 -0.04 0.00 2.56 0.00 0.00 35.95 39.10 1nhn h PHE 13 CO 0.00 1.27 -0.37 -0.07 -2.02 0.00 0.00 178.31 177.12 1nhn h LEU 14 N 0.10 -1.05 -0.67 0.59 -0.00 -1.94 -2.31 115.31 110.04 1nhn h LEU 14 Ca -0.10 0.11 0.14 0.00 -0.00 0.00 0.00 57.88 58.03 1nhn h LEU 14 Cb 1.49 0.38 -0.11 0.00 -0.00 0.00 0.00 40.66 42.43 1nhn h LEU 14 CO 0.16 -0.47 0.08 0.15 -0.00 0.00 0.00 178.44 178.37 1nhn h PHE 15 N -0.64 0.11 -0.47 1.13 3.57 -1.61 -2.35 116.94 116.68 1nhn h PHE 15 Ca 0.01 0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.65 1nhn h PHE 15 Cb 0.64 0.06 -0.09 0.00 2.79 0.00 0.00 35.95 39.35 1nhn h PHE 15 CO -0.29 -0.12 -0.15 0.00 -2.23 0.00 0.00 178.31 175.52 1nhn h SER 17 N -0.04 -1.05 -0.98 0.00 0.02 -1.21 -0.10 113.55 110.19 1nhn h SER 17 Ca 0.23 0.04 0.33 0.00 -0.84 0.00 0.00 61.79 61.55 1nhn h SER 17 Cb 0.38 0.27 -0.17 0.00 0.14 0.00 0.00 62.40 63.02 1nhn h SER 17 CO -0.50 -0.75 0.31 -0.33 -1.14 0.00 0.00 176.83 174.41 1nhn h GLU 18 N -1.24 0.05 0.00 3.45 4.39 -1.13 -2.48 114.58 117.62 1nhn h GLU 18 Ca -0.13 -0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.32 1nhn h GLU 18 Cb 0.95 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.54 1nhn h GLU 18 CO 0.21 0.03 -2.11 0.66 -1.16 0.00 0.00 179.01 176.64 1nhn n TYR 19 N -5.33 0.22 -0.27 4.33 4.02 -0.67 -4.53 117.16 114.92 1nhn n TYR 19 Ca 0.30 0.07 -0.07 0.00 -0.01 0.00 0.00 57.90 58.19 1nhn n TYR 19 Cb 0.99 -0.92 -0.07 0.00 -0.02 0.00 0.00 39.34 39.33 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 -2.68 -0.29 0.00 -0.72 0.63 -0.05 0.27 116.66 113.82 1nhn n ARG 20 Ca -0.22 1.01 0.13 0.00 -0.92 0.00 0.00 57.85 57.85 1nhn n ARG 20 Cb 0.98 -1.48 0.57 0.00 0.45 0.00 0.00 32.46 32.97 1nhn n ARG 20 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1nhn n PRO 21 N -4.77 0.00 -0.06 -0.14 -0.04 -1.26 -1.51 135.00 127.22 1nhn n PRO 21 Ca 0.01 0.04 -0.08 0.00 -0.04 0.00 0.00 63.50 63.43 1nhn n PRO 21 Cb 0.17 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.05 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 -0.09 0.54 1.79 -0.41 -2.18 116.57 116.21 1nhn h LYS 22 Ca 0.00 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.41 1nhn h LYS 22 Cb 0.46 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1nhn h LYS 22 CO 0.00 0.58 -0.18 -0.84 -1.08 0.00 0.00 179.45 177.93 1nhn h ILE 23 N -0.99 1.40 -0.33 1.86 3.07 -1.46 -2.73 117.51 118.33 1nhn h ILE 23 Ca -0.00 -1.48 0.09 0.00 1.55 0.00 0.00 64.86 65.03 1nhn h ILE 23 Cb 0.59 2.16 -0.01 0.00 -0.27 0.00 0.00 36.82 39.29 1nhn h ILE 23 CO 0.00 0.42 0.24 0.50 -1.05 0.00 0.00 178.15 178.26 1nhn h LYS 24 N -0.19 0.00 -0.79 0.16 3.64 -1.42 0.82 116.57 118.78 1nhn h LYS 24 Ca 0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1nhn h LYS 24 Cb 0.76 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.55 1nhn h LYS 24 CO 0.04 0.00 0.33 0.78 -2.27 0.00 0.00 179.45 178.33 1nhn h GLY 25 N 0.00 1.25 1.18 5.01 0.00 -1.09 -2.12 103.07 107.30 1nhn h GLY 25 Ca 0.16 -0.66 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1nhn h GLY 25 CO -0.00 0.63 -0.79 0.83 0.00 0.00 0.00 176.54 177.20 1nhn h GLU 26 N 1.14 0.00 -2.33 4.80 4.39 -0.60 -3.39 114.58 118.60 1nhn h GLU 26 Ca 0.27 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 59.32 1nhn h GLU 26 Cb 0.19 0.00 -0.39 0.00 -0.10 0.00 0.00 28.75 28.45 1nhn h GLU 26 CO -0.03 0.00 -0.27 0.72 -1.16 0.00 0.00 179.01 178.27 1nhn n HIS 27 N -2.68 3.50 -0.04 4.33 8.25 0.26 -4.82 115.22 124.01 1nhn n HIS 27 Ca 0.01 -3.76 -0.03 0.00 -0.26 0.00 0.00 57.72 53.68 1nhn n HIS 27 Cb 0.53 -0.69 0.01 0.00 1.12 0.00 0.00 29.99 30.96 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 0.53 1.15 0.00 -0.41 -0.04 -0.96 -2.89 135.00 132.38 1nhn n PRO 28 Ca 0.31 -0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1nhn n PRO 28 Cb 0.38 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 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 0.89 0.00 3.72 0.55 0.00 -1.26 -5.09 105.19 104.00 1nhn n GLY 29 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 1nhn n GLY 29 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nhn n LEU 30 N -0.88 0.00 -4.78 0.99 4.77 -1.14 -5.12 117.00 110.85 1nhn n LEU 30 Ca 0.00 -1.78 -0.29 0.00 -0.03 0.00 0.00 56.01 53.91 1nhn n LEU 30 Cb 0.10 -0.76 -0.06 0.00 -2.33 0.00 0.00 43.42 40.36 1nhn n LEU 30 CO 0.00 -1.15 -0.16 -0.55 -1.33 0.00 0.00 177.39 174.20 1nhn s SER 31 N -5.21 4.29 -0.02 -1.43 0.15 -1.26 -4.96 113.70 105.26 1nhn s SER 31 Ca 0.67 -1.40 0.10 0.00 0.70 0.00 0.00 55.95 56.02 1nhn s SER 31 Cb -0.03 0.17 0.31 0.00 -1.71 0.00 0.00 66.02 64.77 1nhn s SER 31 CO 0.46 -0.80 1.22 0.00 1.20 0.00 0.00 173.24 175.32 1nhn n ILE 32 N -1.35 0.58 -0.00 6.45 0.13 -1.26 -1.16 119.36 122.75 1nhn n ILE 32 Ca -0.09 -0.48 0.02 0.00 -1.10 0.00 0.00 62.75 61.09 1nhn n ILE 32 Cb 0.66 0.13 -0.04 0.00 -0.84 0.00 0.00 39.64 39.55 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 0.92 -0.24 0.25 4.50 0.00 -1.26 -4.23 105.19 105.13 1nhn n GLY 33 Ca 0.12 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.73 1.80 0.27 1.61 -0.08 -1.05 -2.45 116.55 114.91 1nhn n ASP 34 Ca -0.02 0.17 0.11 0.00 -1.51 0.00 0.00 54.79 53.54 1nhn n ASP 34 Cb 0.19 -0.57 0.75 0.00 2.34 0.00 0.00 41.12 43.83 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 -0.58 0.76 0.07 5.18 3.04 -1.43 0.21 116.25 123.49 1nhn h VAL 35 Ca -0.54 -0.17 -0.19 0.00 -1.01 0.00 0.00 66.70 64.79 1nhn h VAL 35 Cb 1.56 1.10 0.02 0.00 -2.01 0.00 0.00 31.29 31.96 1nhn h VAL 35 CO -0.27 0.04 -0.77 0.00 -1.01 0.00 0.00 177.57 175.56 1nhn h ALA 36 N 1.96 0.00 -0.66 3.17 0.00 -1.74 -2.62 119.26 119.38 1nhn h ALA 36 Ca -0.00 -0.64 0.06 0.00 0.00 0.00 0.00 54.91 54.33 1nhn h ALA 36 Cb 0.10 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1nhn h ALA 36 CO 0.01 0.41 0.35 -0.22 0.00 0.00 0.00 179.25 179.80 1nhn h LYS 37 N -0.14 0.63 0.50 0.00 3.11 -0.39 0.14 116.57 120.41 1nhn h LYS 37 Ca -0.12 -0.04 -0.02 0.00 -2.81 0.00 0.00 60.65 57.67 1nhn h LYS 37 Cb 1.52 -0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 32.60 1nhn h LYS 37 CO 0.15 0.41 -0.33 0.87 -2.81 0.00 0.00 179.45 177.74 1nhn h LYS 38 N 0.64 -0.77 -0.59 1.90 1.57 -0.81 -1.85 116.57 116.66 1nhn h LYS 38 Ca 0.30 0.05 0.12 0.00 -1.87 0.00 0.00 60.65 59.25 1nhn h LYS 38 Cb 0.22 0.18 -0.11 0.00 0.08 0.00 0.00 32.23 32.59 1nhn h LYS 38 CO -0.20 -0.51 -0.15 -0.07 -0.57 0.00 0.00 179.45 177.95 1nhn h LEU 39 N -0.80 -0.57 -0.59 2.94 3.38 -1.02 0.12 115.31 118.77 1nhn h LEU 39 Ca -0.06 0.18 0.21 0.00 0.09 0.00 0.00 57.88 58.30 1nhn h LEU 39 Cb 0.66 0.37 -0.11 0.00 0.09 0.00 0.00 40.66 41.68 1nhn h LEU 39 CO 0.04 -0.20 0.18 0.61 0.09 0.00 0.00 178.44 179.16 1nhn n GLY 40 N -1.41 -0.61 0.14 0.83 0.00 0.43 -1.44 105.19 103.12 1nhn n GLY 40 Ca 0.07 0.52 -0.28 0.00 0.00 0.00 0.00 46.02 46.32 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 -4.52 0.59 -0.35 1.61 1.02 -0.03 -4.59 120.64 114.37 1nhn n GLU 41 Ca 0.18 0.27 0.33 0.00 -0.02 0.00 0.00 57.16 57.92 1nhn n GLU 41 Cb 0.62 -1.50 0.60 0.00 -0.02 0.00 0.00 31.44 31.14 1nhn n GLU 41 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1nhn h MET 42 N -1.00 0.02 -0.64 3.49 2.86 0.31 -0.03 114.93 119.94 1nhn h MET 42 Ca -0.65 -0.00 0.15 0.00 -2.06 0.00 0.00 59.70 57.14 1nhn h MET 42 Cb 1.57 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.19 1nhn h MET 42 CO -0.40 0.01 0.44 2.35 1.06 0.00 0.00 176.91 180.38 1nhn h TRP 43 N 0.02 0.22 0.22 -0.22 2.91 -1.66 0.18 115.95 117.62 1nhn h TRP 43 Ca 0.85 0.01 -0.33 0.00 1.13 0.00 0.00 58.89 60.55 1nhn h TRP 43 Cb 2.33 -0.07 0.04 0.00 -0.51 0.00 0.00 29.16 30.94 1nhn h TRP 43 CO -0.01 0.08 -1.42 -0.91 -1.03 0.00 0.00 178.44 175.15 1nhn h ASN 44 N 0.19 0.87 -0.62 2.65 2.35 -1.28 -3.18 115.58 116.55 1nhn h ASN 44 Ca 0.31 -0.89 -0.41 0.00 -0.55 0.00 0.00 56.30 54.76 1nhn h ASN 44 Cb 0.96 -0.28 -0.18 0.00 0.05 0.00 0.00 38.32 38.87 1nhn h ASN 44 CO -0.05 1.69 0.54 0.59 -1.65 0.00 0.00 177.43 178.54 1nhn n ASN 45 N -3.74 6.59 0.00 5.81 3.02 0.05 -4.88 115.26 122.12 1nhn n ASN 45 Ca -0.16 -3.25 0.00 0.00 -0.03 0.00 0.00 54.58 51.14 1nhn n ASN 45 Cb 1.08 -1.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 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 -0.03 0.00 -3.40 3.41 5.66 0.41 -4.88 114.28 115.45 1nhn n THR 46 Ca 0.39 0.00 -0.44 0.00 -3.05 0.00 0.00 64.05 60.95 1nhn n THR 46 Cb 0.64 -0.46 -0.09 0.00 -1.55 0.00 0.00 70.33 68.88 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 -2.27 3.50 0.55 1.79 0.00 -1.26 -4.92 121.76 119.15 1nhn s ALA 47 Ca 0.00 -1.84 0.39 0.00 0.00 0.00 0.00 51.96 50.51 1nhn s ALA 47 Cb 0.00 -3.01 1.58 0.00 0.00 0.00 0.00 23.12 21.70 1nhn s ALA 47 CO 0.00 -1.61 1.75 0.00 0.00 0.00 0.00 175.76 175.91 1nhn h ALA 48 N 8.71 3.26 -0.02 0.00 0.00 -1.93 0.47 119.26 129.75 1nhn h ALA 48 Ca -0.27 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1nhn h ALA 48 Cb 1.11 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1nhn h ALA 48 CO 0.81 -1.65 0.00 -0.25 0.00 0.00 0.00 179.25 178.16 1nhn n ASP 49 N -4.11 0.97 -0.00 0.00 8.00 -1.26 -3.11 116.55 117.04 1nhn n ASP 49 Ca 0.29 -1.35 0.09 0.00 0.71 0.00 0.00 54.79 54.52 1nhn n ASP 49 Cb 1.39 -0.01 -0.12 0.00 -0.02 0.00 0.00 41.12 42.37 1nhn n ASP 49 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1nhn n ASP 50 N -0.23 0.85 0.01 -2.24 -0.08 0.16 -4.27 116.55 110.76 1nhn n ASP 50 Ca 0.20 -0.54 -0.21 0.00 -1.51 0.00 0.00 54.79 52.74 1nhn n ASP 50 Cb 0.26 1.34 -0.14 0.00 2.34 0.00 0.00 41.12 44.92 1nhn n ASP 50 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1nhn h LYS 51 N 0.00 0.26 -0.99 -0.67 1.57 -1.46 -3.36 116.57 111.93 1nhn h LYS 51 Ca 0.00 -0.45 0.14 0.00 -1.87 0.00 0.00 60.65 58.47 1nhn h LYS 51 Cb 0.58 0.17 -0.15 0.00 0.08 0.00 0.00 32.23 32.90 1nhn h LYS 51 CO 0.00 1.18 -0.43 1.04 -0.57 0.00 0.00 179.45 180.67 1nhn n GLN 52 N -3.46 -0.28 0.25 3.15 1.13 -1.22 -0.14 117.38 116.80 1nhn n GLN 52 Ca -0.30 1.52 -0.17 0.00 -1.94 0.00 0.00 57.00 56.11 1nhn n GLN 52 Cb 1.05 -2.25 -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 -1.00 -1.44 0.00 0.00 177.06 174.62 1nhn h PRO 53 N 0.00 -0.88 -0.85 -1.09 0.13 -1.80 -1.99 132.00 125.52 1nhn h PRO 53 Ca 0.30 0.06 0.20 0.00 -0.87 0.00 0.00 66.00 65.69 1nhn h PRO 53 Cb 0.55 0.20 -0.15 0.00 0.13 0.00 0.00 31.00 31.73 1nhn h PRO 53 CO -0.97 -0.59 -0.02 1.88 -0.23 0.00 0.00 178.00 178.07 1nhn h TYR 54 N -0.91 -0.11 0.62 1.56 -1.99 -1.26 -1.59 116.97 113.28 1nhn h TYR 54 Ca -0.04 0.06 -0.03 0.00 2.00 0.00 0.00 58.73 60.72 1nhn h TYR 54 Cb 0.82 0.19 0.00 0.00 2.00 0.00 0.00 36.73 39.74 1nhn h TYR 54 CO -0.28 -0.32 -0.35 0.93 -0.00 0.00 0.00 178.16 178.15 1nhn h GLU 55 N 0.06 -0.86 -0.20 4.88 4.39 -0.38 -0.00 114.58 122.48 1nhn h GLU 55 Ca 0.47 0.06 0.06 0.00 0.34 0.00 0.00 59.36 60.28 1nhn h GLU 55 Cb 0.86 0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 1nhn h GLU 55 CO -0.78 -0.57 0.55 1.57 -1.16 0.00 0.00 179.01 178.62 1nhn h LYS 56 N -0.89 0.00 0.00 2.33 5.09 -0.53 0.17 116.57 122.74 1nhn h LYS 56 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.66 1nhn h LYS 56 Cb 0.70 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.03 1nhn h LYS 56 CO 0.11 0.00 -0.34 -0.22 -2.09 0.00 0.00 179.45 176.90 1nhn h LYS 57 N 0.00 0.00 -0.82 0.07 3.64 -0.96 -2.94 116.57 115.57 1nhn h LYS 57 Ca 0.09 0.00 0.20 0.00 -1.27 0.00 0.00 60.65 59.67 1nhn h LYS 57 Cb 1.20 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 32.89 1nhn h LYS 57 CO -0.00 0.00 0.23 0.00 -2.27 0.00 0.00 179.45 177.41 1nhn h ALA 58 N -1.09 1.15 -0.25 5.00 0.00 -0.35 0.16 119.26 123.88 1nhn h ALA 58 Ca 0.00 0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.15 1nhn h ALA 58 Cb 0.34 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1nhn h ALA 58 CO 0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 179.25 178.84 1nhn h ALA 59 N 1.69 0.19 -0.22 0.00 0.00 -0.85 -0.66 119.26 119.40 1nhn h ALA 59 Ca 0.49 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.54 1nhn h ALA 59 Cb 0.91 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 1nhn h ALA 59 CO -0.57 -0.45 -0.22 -0.22 0.00 0.00 0.00 179.25 177.79 1nhn h LYS 60 N 0.04 -0.22 -0.05 0.00 1.63 -0.52 0.11 116.57 117.56 1nhn h LYS 60 Ca 0.12 0.02 0.02 0.00 -0.85 0.00 0.00 60.65 59.96 1nhn h LYS 60 Cb 0.17 0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.82 1nhn h LYS 60 CO -0.23 -0.15 -0.09 -0.07 -3.45 0.00 0.00 179.45 175.46 1nhn h LEU 61 N -0.23 -0.28 -0.59 5.20 3.38 -0.86 -2.06 115.31 119.87 1nhn h LEU 61 Ca 0.13 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.19 1nhn h LEU 61 Cb 0.43 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1nhn h LEU 61 CO -0.36 -0.13 0.35 0.11 0.09 0.00 0.00 178.44 178.49 1nhn h LYS 62 N -0.14 0.66 0.14 1.13 1.79 -0.70 -1.87 116.57 117.59 1nhn h LYS 62 Ca 0.05 -0.04 0.01 0.00 -2.18 0.00 0.00 60.65 58.49 1nhn h LYS 62 Cb 0.21 -0.15 -0.04 0.00 -1.58 0.00 0.00 32.23 30.67 1nhn h LYS 62 CO -0.13 0.44 -0.51 1.49 -1.08 0.00 0.00 179.45 179.66 1nhn h GLU 63 N 0.68 -0.71 -0.31 3.15 4.81 -0.50 -0.32 114.58 121.37 1nhn h GLU 63 Ca 0.24 0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.57 1nhn h GLU 63 Cb 0.06 0.16 -0.08 0.00 0.63 0.00 0.00 28.75 29.52 1nhn h GLU 63 CO -0.12 -0.47 -0.52 0.87 -0.73 0.00 0.00 179.01 178.04 1nhn h LYS 64 N -0.74 -0.43 -0.35 1.92 1.57 -1.09 -2.50 116.57 114.96 1nhn h LYS 64 Ca -0.01 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1nhn h LYS 64 Cb 0.73 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.10 1nhn h LYS 64 CO -0.26 -0.28 -0.24 -0.92 -0.57 0.00 0.00 179.45 177.18 1nhn h TYR 65 N -0.44 -0.76 -1.72 -1.35 5.03 -0.76 0.57 116.97 117.54 1nhn h TYR 65 Ca 0.08 0.05 0.50 0.00 2.58 0.00 0.00 58.73 61.94 1nhn h TYR 65 Cb 0.62 0.38 -0.07 0.00 1.55 0.00 0.00 36.73 39.21 1nhn h TYR 65 CO -0.65 -0.16 1.24 0.93 -1.32 0.00 0.00 178.16 178.20 1nhn h GLU 66 N -0.04 0.00 0.00 1.82 5.08 -0.62 0.28 114.58 121.11 1nhn h GLU 66 Ca 0.06 -0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 1nhn h GLU 66 Cb 0.19 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1nhn h GLU 66 CO -0.35 0.00 -0.59 0.87 -1.00 0.00 0.00 179.01 177.94 1nhn h LYS 67 N 0.00 0.00 -0.95 2.33 6.56 -0.82 -3.05 116.57 120.64 1nhn h LYS 67 Ca 0.82 0.00 0.24 0.00 -1.06 0.00 0.00 60.65 60.65 1nhn h LYS 67 Cb 3.29 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 34.89 1nhn h LYS 67 CO -0.01 0.77 0.64 -0.44 -2.06 0.00 0.00 179.45 178.35 1nhn h ASP 68 N -1.00 0.30 0.09 0.86 5.19 0.61 -0.53 116.42 121.94 1nhn h ASP 68 Ca -0.15 0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.30 1nhn h ASP 68 Cb 0.96 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.46 1nhn h ASP 68 CO -0.09 0.10 -0.04 -0.29 -3.12 0.00 0.00 179.24 175.79 1nhn h ILE 69 N 0.28 1.10 -1.10 0.35 -0.00 -0.65 -2.47 117.51 115.02 1nhn h ILE 69 Ca 0.50 -1.36 0.30 0.00 -0.00 0.00 0.00 64.86 64.30 1nhn h ILE 69 Cb 1.45 1.88 -0.08 0.00 -0.00 0.00 0.00 36.82 40.07 1nhn h ILE 69 CO -0.15 0.30 0.74 0.00 -0.00 0.00 0.00 178.15 179.04 1nhn h ALA 70 N -0.12 2.59 -0.02 0.18 0.00 -1.06 0.28 119.26 121.11 1nhn h ALA 70 Ca -0.01 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1nhn h ALA 70 Cb 0.59 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1nhn h ALA 70 CO 0.02 -0.98 -0.09 0.00 0.00 0.00 0.00 179.25 178.20 1nhn h ALA 71 N 1.54 0.04 -0.89 0.00 0.00 -1.09 -1.23 119.26 117.64 1nhn h ALA 71 Ca 0.59 -0.36 0.18 0.00 0.00 0.00 0.00 54.91 55.32 1nhn h ALA 71 Cb 1.84 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 19.52 1nhn h ALA 71 CO -0.20 -0.07 0.46 -0.92 0.00 0.00 0.00 179.25 178.53 1nhn h TYR 72 N -0.50 0.79 0.07 0.00 3.20 -0.49 -0.60 116.97 119.44 1nhn h TYR 72 Ca -0.01 0.04 -0.26 0.00 3.14 0.00 0.00 58.73 61.64 1nhn h TYR 72 Cb 0.74 -0.21 0.01 0.00 1.54 0.00 0.00 36.73 38.81 1nhn h TYR 72 CO 0.15 0.13 -1.12 -0.09 -1.64 0.00 0.00 178.16 175.58 1nhn h ARG 73 N 0.58 0.45 0.00 1.82 2.43 -1.39 -3.32 114.38 114.95 1nhn h ARG 73 Ca 0.51 -0.58 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1nhn h ARG 73 Cb 0.82 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 1nhn h ARG 73 CO -0.41 1.23 0.17 0.00 -1.51 0.00 0.00 179.97 179.44 1nhn n ALA 74 N -2.59 0.66 -0.10 2.80 0.00 -0.24 -1.96 120.51 119.09 1nhn n ALA 74 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.23 1nhn n ALA 74 Cb 0.93 -0.63 -0.13 0.00 0.00 0.00 0.00 19.45 19.63 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 -1.26 0.86 0.00 0.00 3.00 -1.22 -4.86 118.16 114.67 1nhn n LYS 75 Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 1nhn n LYS 75 Cb 0.17 -1.47 0.00 0.00 0.00 0.00 0.00 35.03 33.73 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 2.08 0.00 2.96 3.14 0.00 -0.83 -2.03 105.19 110.51 1nhn n GLY 76 Ca -0.34 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 1nhn n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nhn s LYS 77 N 0.00 2.25 0.58 1.61 3.01 -1.26 -4.97 119.74 120.96 1nhn s LYS 77 Ca 0.00 -2.87 0.32 0.00 -1.01 0.00 0.00 55.97 52.41 1nhn s LYS 77 Cb 0.00 -3.42 1.33 0.00 -1.01 0.00 0.00 37.83 34.73 1nhn s LYS 77 CO 0.00 -1.18 1.65 -1.35 0.51 0.00 0.00 175.35 174.98 1nhn h PRO 78 N 6.19 0.00 -3.16 -1.68 0.11 -1.80 -3.46 132.00 128.20 1nhn h PRO 78 Ca 0.00 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.04 1nhn h PRO 78 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1nhn h PRO 78 CO 0.71 0.00 -0.36 -3.47 -0.21 0.00 0.00 178.00 174.66 1nhn n ASP 79 N -3.66 -1.90 -4.06 -2.05 2.03 -1.26 -4.92 116.55 100.72 1nhn n ASP 79 Ca 0.20 0.02 -0.34 0.00 0.52 0.00 0.00 54.79 55.19 1nhn n ASP 79 Cb 1.20 -0.51 -0.08 0.00 -0.72 0.00 0.00 41.12 41.01 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 -0.41 4.01 0.00 -1.67 0.00 -1.26 -5.29 121.76 117.15 1nhn s ALA 80 Ca 0.07 -3.72 0.00 0.00 0.00 0.00 0.00 51.96 48.32 1nhn s ALA 80 Cb -0.01 -2.65 0.00 0.00 0.00 0.00 0.00 23.12 20.47 1nhn s ALA 80 CO 0.17 -2.13 0.00 0.00 0.00 0.00 0.00 175.76 173.80