#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 -0.28 -0.94 5.41 0.00 -1.26 -4.81 120.51 118.63 1nhn n ALA 4 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1nhn n ALA 4 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 0.07 0.00 -3.75 0.00 -0.02 -1.26 -4.96 135.00 125.07 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 -0.79 -0.13 0.00 -0.02 0.00 0.00 33.50 32.56 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 -0.99 1.50 0.00 -0.52 0.00 -1.26 -5.01 119.74 113.45 1nhn s LYS 6 Ca 0.42 -2.24 0.00 0.00 0.00 0.00 0.00 55.97 54.14 1nhn s LYS 6 Cb -0.33 -2.56 0.00 0.00 0.00 0.00 0.00 37.83 34.93 1nhn s LYS 6 CO 0.56 -1.18 0.00 0.54 0.00 0.00 0.00 175.35 175.27 1nhn n ARG 7 N 3.29 0.00 -1.67 1.78 1.74 -1.26 -4.70 116.66 115.84 1nhn n ARG 7 Ca 0.10 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.79 1nhn n ARG 7 Cb 0.35 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.82 1nhn n ARG 7 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1nhn n PRO 8 N 0.00 1.45 0.00 5.56 -0.04 -1.26 -4.76 135.00 135.95 1nhn n PRO 8 Ca 0.00 0.53 0.00 0.00 -0.04 0.00 0.00 63.50 63.99 1nhn n PRO 8 Cb 0.00 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.17 1nhn n PRO 8 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1nhn n PRO 9 N -0.47 0.00 0.00 0.54 -0.02 -1.26 -4.88 135.00 128.90 1nhn n PRO 9 Ca 0.10 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1nhn n PRO 9 Cb 0.43 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 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 -1.24 0.00 0.00 2.55 2.88 -1.26 -1.59 113.62 114.96 1nhn n SER 10 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1nhn n SER 10 Cb 0.25 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 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 0.58 0.00 0.03 -1.46 0.00 -1.26 -4.53 120.51 113.87 1nhn n ALA 11 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1nhn n ALA 11 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 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 -0.17 0.00 3.57 -1.69 -3.26 116.94 115.40 1nhn h PHE 12 Ca 0.00 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1nhn h PHE 12 Cb 0.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1nhn h PHE 12 CO 0.00 0.87 -0.00 0.35 -2.23 0.00 0.00 178.31 177.30 1nhn h PHE 13 N 0.00 0.24 0.40 0.41 3.57 -1.71 0.57 116.94 120.42 1nhn h PHE 13 Ca -0.14 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.33 1nhn h PHE 13 Cb 1.79 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.46 1nhn h PHE 13 CO 0.00 0.25 -0.19 -0.07 -2.23 0.00 0.00 178.31 176.07 1nhn h LEU 14 N 0.24 -0.45 -0.65 0.59 -0.00 -1.89 -2.64 115.31 110.50 1nhn h LEU 14 Ca 0.06 -0.10 0.14 0.00 -0.00 0.00 0.00 57.88 57.97 1nhn h LEU 14 Cb 0.17 0.12 -0.12 0.00 -0.00 0.00 0.00 40.66 40.83 1nhn h LEU 14 CO 0.00 -0.02 -0.08 0.15 -0.00 0.00 0.00 178.44 178.49 1nhn h PHE 15 N -1.02 -0.20 -0.91 1.13 3.57 -1.55 0.22 116.94 118.18 1nhn h PHE 15 Ca -0.05 0.05 0.19 0.00 3.53 0.00 0.00 57.97 61.69 1nhn h PHE 15 Cb 0.53 0.19 -0.07 0.00 2.79 0.00 0.00 35.95 39.38 1nhn h PHE 15 CO 0.02 -0.24 0.59 0.00 -2.23 0.00 0.00 178.31 176.46 1nhn h SER 17 N 0.49 -0.26 -0.79 0.00 0.87 -0.20 0.15 113.55 113.80 1nhn h SER 17 Ca 0.48 -0.26 0.11 0.00 -1.23 0.00 0.00 61.79 60.89 1nhn h SER 17 Cb 1.06 0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 63.04 1nhn h SER 17 CO -0.20 0.20 0.52 -0.33 -0.53 0.00 0.00 176.83 176.49 1nhn h GLU 18 N -0.83 0.63 0.00 2.24 5.08 -0.91 -3.32 114.58 117.47 1nhn h GLU 18 Ca -0.03 -0.04 -0.30 0.00 -1.00 0.00 0.00 59.36 57.99 1nhn h GLU 18 Cb 0.51 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 1nhn h GLU 18 CO 0.05 0.42 -2.15 0.66 -1.00 0.00 0.00 179.01 176.99 1nhn n TYR 19 N -4.51 0.00 -0.19 4.33 4.02 -0.67 -4.64 117.16 115.50 1nhn n TYR 19 Ca 0.14 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 58.05 1nhn n TYR 19 Cb 0.39 -0.78 0.05 0.00 -0.02 0.00 0.00 39.34 38.98 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 -3.01 -0.08 0.00 -0.72 0.63 0.52 -0.07 116.66 113.93 1nhn n ARG 20 Ca -0.34 0.81 0.13 0.00 -0.92 0.00 0.00 57.85 57.53 1nhn n ARG 20 Cb 0.91 -1.21 0.39 0.00 0.45 0.00 0.00 32.46 33.00 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 -4.82 0.35 -0.09 -0.14 -0.05 -1.26 -1.57 135.00 127.42 1nhn n PRO 21 Ca 0.07 -0.18 -0.23 0.00 -0.05 0.00 0.00 63.50 63.11 1nhn n PRO 21 Cb 0.24 -1.50 -0.12 0.00 -0.05 0.00 0.00 33.50 32.07 1nhn n PRO 21 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 175.50 177.08 1nhn n LYS 22 N -1.17 0.64 -0.03 0.54 4.76 0.89 -2.11 118.16 121.69 1nhn n LYS 22 Ca 0.09 0.34 -0.13 0.00 -2.87 0.00 0.00 58.31 55.73 1nhn n LYS 22 Cb 0.33 -1.63 -0.09 0.00 -1.84 0.00 0.00 35.03 31.80 1nhn n LYS 22 CO 0.00 0.00 0.00 -0.84 -1.37 0.00 0.00 177.40 175.19 1nhn h ILE 23 N -0.53 1.41 -0.72 -0.18 3.07 -1.34 -2.29 117.51 116.93 1nhn h ILE 23 Ca -0.50 -1.39 0.11 0.00 1.55 0.00 0.00 64.86 64.63 1nhn h ILE 23 Cb 1.69 2.17 -0.05 0.00 -0.27 0.00 0.00 36.82 40.36 1nhn h ILE 23 CO -0.16 0.38 0.48 0.50 -1.05 0.00 0.00 178.15 178.30 1nhn h LYS 24 N -0.29 0.53 -0.82 0.16 3.64 -1.47 1.06 116.57 119.37 1nhn h LYS 24 Ca 0.00 -0.03 0.15 0.00 -1.27 0.00 0.00 60.65 59.51 1nhn h LYS 24 Cb 0.68 -0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 32.32 1nhn h LYS 24 CO 0.03 0.35 0.54 0.78 -2.27 0.00 0.00 179.45 178.87 1nhn h GLY 25 N 0.54 0.91 0.16 5.01 0.00 -0.86 0.92 103.07 109.75 1nhn h GLY 25 Ca 0.34 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1nhn h GLY 25 CO -0.12 0.06 -1.67 1.18 0.00 0.00 0.00 176.54 176.00 1nhn n GLU 26 N -4.51 0.53 -3.13 4.80 -0.58 0.58 -4.55 120.64 113.78 1nhn n GLU 26 Ca 0.16 -0.12 -0.27 0.00 -0.42 0.00 0.00 57.16 56.51 1nhn n GLU 26 Cb 0.53 -1.56 -0.05 0.00 -0.57 0.00 0.00 31.44 29.79 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 -2.17 3.86 0.43 -0.32 8.25 0.34 -4.82 115.22 120.78 1nhn n HIS 27 Ca -0.02 -4.02 -0.04 0.00 -0.26 0.00 0.00 57.72 53.38 1nhn n HIS 27 Cb 0.52 -0.54 0.02 0.00 1.12 0.00 0.00 29.99 31.11 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 0.22 1.18 0.00 -0.41 -0.04 -0.33 -2.80 135.00 132.83 1nhn n PRO 28 Ca 0.31 -0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1nhn n PRO 28 Cb 0.40 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 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 0.45 0.00 3.48 0.55 0.00 -1.26 -5.06 105.19 103.35 1nhn n GLY 29 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.42 0.00 -4.78 0.99 4.77 -1.12 -5.12 117.00 110.32 1nhn n LEU 30 Ca 0.00 -1.73 -0.31 0.00 -0.03 0.00 0.00 56.01 53.95 1nhn n LEU 30 Cb 0.16 -0.68 -0.07 0.00 -2.33 0.00 0.00 43.42 40.51 1nhn n LEU 30 CO 0.00 -1.06 -0.19 -0.94 -1.33 0.00 0.00 177.39 173.87 1nhn s SER 31 N -4.86 4.22 -0.16 -1.43 1.04 -1.26 -4.96 113.70 106.29 1nhn s SER 31 Ca 0.62 -1.52 0.10 0.00 0.48 0.00 0.00 55.95 55.63 1nhn s SER 31 Cb -0.03 0.37 0.58 0.00 0.10 0.00 0.00 66.02 67.04 1nhn s SER 31 CO 0.42 -0.85 1.38 0.00 0.98 0.00 0.00 173.24 175.17 1nhn n ILE 32 N -1.34 1.91 -0.01 -1.02 3.06 -1.26 -1.31 119.36 119.40 1nhn n ILE 32 Ca -0.14 -0.98 -0.01 0.00 -2.50 0.00 0.00 62.75 59.12 1nhn n ILE 32 Cb 0.66 -0.32 -0.02 0.00 0.54 0.00 0.00 39.64 40.50 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 0.47 -0.13 0.23 4.50 0.00 -1.26 -4.39 105.19 104.60 1nhn n GLY 33 Ca 0.20 -0.05 -0.20 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 -2.14 1.88 0.16 1.61 2.03 -1.13 -2.73 116.55 116.23 1nhn n ASP 34 Ca -0.05 0.13 0.05 0.00 0.52 0.00 0.00 54.79 55.44 1nhn n ASP 34 Cb 0.59 -0.53 0.51 0.00 -0.72 0.00 0.00 41.12 40.97 1nhn n ASP 34 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 1nhn h VAL 35 N -0.50 1.08 -0.06 5.18 3.04 -1.51 0.39 116.25 123.88 1nhn h VAL 35 Ca -0.53 -0.31 -0.07 0.00 -1.01 0.00 0.00 66.70 64.78 1nhn h VAL 35 Cb 1.59 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 31.84 1nhn h VAL 35 CO -0.24 0.10 -0.25 0.00 -1.01 0.00 0.00 177.57 176.17 1nhn h ALA 36 N 1.83 0.10 -0.31 3.17 0.00 -1.75 -2.20 119.26 120.11 1nhn h ALA 36 Ca 0.05 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 1nhn h ALA 36 Cb 0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1nhn h ALA 36 CO 0.00 0.11 -0.07 0.87 0.00 0.00 0.00 179.25 180.16 1nhn h LYS 37 N -0.26 0.50 0.62 0.00 6.56 -0.99 0.82 116.57 123.81 1nhn h LYS 37 Ca -0.02 -0.12 -0.02 0.00 -1.06 0.00 0.00 60.65 59.43 1nhn h LYS 37 Cb 0.90 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.48 1nhn h LYS 37 CO 0.05 0.58 -0.45 -0.22 -2.06 0.00 0.00 179.45 177.35 1nhn h LYS 38 N 0.47 -1.00 -0.46 3.15 1.63 -0.20 -0.61 116.57 119.56 1nhn h LYS 38 Ca 0.10 0.07 0.09 0.00 -0.85 0.00 0.00 60.65 60.05 1nhn h LYS 38 Cb 0.41 0.23 -0.08 0.00 -0.60 0.00 0.00 32.23 32.18 1nhn h LYS 38 CO 0.02 -0.66 -0.07 -0.07 -3.45 0.00 0.00 179.45 175.21 1nhn h LEU 39 N -1.03 -0.35 -1.18 5.20 3.38 -1.04 0.19 115.31 120.48 1nhn h LEU 39 Ca -0.08 0.13 0.44 0.00 0.09 0.00 0.00 57.88 58.46 1nhn h LEU 39 Cb 0.86 0.25 -0.15 0.00 0.09 0.00 0.00 40.66 41.72 1nhn h LEU 39 CO 0.03 -0.12 0.72 0.61 0.09 0.00 0.00 178.44 179.77 1nhn n GLY 40 N -1.32 -0.77 0.08 0.83 0.00 0.25 -0.22 105.19 104.04 1nhn n GLY 40 Ca 0.04 0.74 -0.11 0.00 0.00 0.00 0.00 46.02 46.69 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 -4.83 0.50 0.00 1.61 1.02 -0.06 -4.16 120.64 114.71 1nhn n GLU 41 Ca 0.38 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 58.06 1nhn n GLU 41 Cb 1.40 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 31.11 1nhn n GLU 41 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1nhn n MET 42 N -4.54 0.00 -0.07 3.49 2.81 0.48 -1.38 117.12 117.90 1nhn n MET 42 Ca -0.17 0.05 -0.13 0.00 -1.81 0.00 0.00 57.70 55.64 1nhn n MET 42 Cb 0.43 -1.51 -0.14 0.00 -0.71 0.00 0.00 33.22 31.28 1nhn n MET 42 CO 0.00 0.00 0.00 1.87 1.51 0.00 0.00 175.97 179.35 1nhn n TRP 43 N -0.96 0.42 0.09 2.03 -0.00 0.70 -3.21 117.44 116.50 1nhn n TRP 43 Ca 0.00 0.12 -0.13 0.00 -0.00 0.00 0.00 57.50 57.50 1nhn n TRP 43 Cb 0.01 -1.07 -0.12 0.00 -0.00 0.00 0.00 31.31 30.14 1nhn n TRP 43 CO 0.00 0.00 0.00 -2.95 -0.00 0.00 0.00 177.69 174.74 1nhn h ASN 44 N 0.01 0.29 -0.92 5.87 7.08 -1.40 -3.14 115.58 123.37 1nhn h ASN 44 Ca -0.48 -0.30 -0.60 0.00 -3.08 0.00 0.00 56.30 51.85 1nhn h ASN 44 Cb 2.09 -0.09 -0.30 0.00 -2.08 0.00 0.00 38.32 37.93 1nhn h ASN 44 CO 0.02 1.22 0.54 -0.46 -2.08 0.00 0.00 177.43 176.67 1nhn n ASN 45 N -3.50 6.19 -1.53 6.14 0.23 -1.17 -4.89 115.26 116.72 1nhn n ASN 45 Ca -0.06 -3.75 0.00 0.00 -0.53 0.00 0.00 54.58 50.24 1nhn n ASN 45 Cb 0.97 -0.84 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 1nhn n ASN 45 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 1nhn n THR 46 N -0.95 0.00 -0.08 5.53 5.66 -1.19 -4.90 114.28 118.36 1nhn n THR 46 Ca 0.58 0.00 0.07 0.00 -3.05 0.00 0.00 64.05 61.65 1nhn n THR 46 Cb 0.93 0.00 0.27 0.00 -1.55 0.00 0.00 70.33 69.98 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 2.96 -0.63 1.79 0.00 -1.26 -4.90 120.51 115.47 1nhn n ALA 47 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 53.44 52.25 1nhn n ALA 47 Cb 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 0.80 0.00 0.00 0.00 0.00 -1.26 -3.92 120.51 116.13 1nhn n ALA 48 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1nhn n ALA 48 Cb 0.71 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 20.00 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 0.67 0.59 -1.13 0.00 2.03 -1.26 -4.68 116.55 112.77 1nhn n ASP 49 Ca 0.00 -0.05 0.10 0.00 0.52 0.00 0.00 54.79 55.36 1nhn n ASP 49 Cb 0.00 0.22 0.25 0.00 -0.72 0.00 0.00 41.12 40.87 1nhn n ASP 49 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1nhn n ASP 50 N -0.28 3.54 -0.09 1.67 8.00 -1.25 -3.98 116.55 124.16 1nhn n ASP 50 Ca 0.00 -1.97 -0.09 0.00 0.71 0.00 0.00 54.79 53.44 1nhn n ASP 50 Cb 0.00 -0.35 -0.16 0.00 -0.02 0.00 0.00 41.12 40.60 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 1.37 0.68 0.19 -1.24 5.02 -1.26 -4.29 118.16 118.63 1nhn n LYS 51 Ca 0.20 0.02 -0.15 0.00 -2.02 0.00 0.00 58.31 56.36 1nhn n LYS 51 Cb 0.57 -1.56 -0.08 0.00 -0.02 0.00 0.00 35.03 33.94 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 -0.42 -0.75 1.97 1.08 -1.87 0.33 115.11 115.45 1nhn h GLN 52 Ca -0.49 0.03 0.16 0.00 -1.45 0.00 0.00 58.65 56.90 1nhn h GLN 52 Cb 2.16 0.10 -0.14 0.00 -0.05 0.00 0.00 27.48 29.54 1nhn h GLN 52 CO 0.03 -0.24 -0.08 -1.00 -0.95 0.00 0.00 178.83 176.60 1nhn h PRO 53 N -0.50 0.05 -0.15 1.46 0.13 -1.77 -1.81 132.00 129.40 1nhn h PRO 53 Ca -0.04 -0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.03 1nhn h PRO 53 Cb 0.38 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.49 1nhn h PRO 53 CO 0.07 0.03 -0.10 1.88 -0.23 0.00 0.00 178.00 179.66 1nhn h TYR 54 N 0.05 0.39 -0.94 1.56 0.05 -1.69 -3.33 116.97 113.07 1nhn h TYR 54 Ca 0.39 -0.10 0.09 0.00 0.05 0.00 0.00 58.73 59.16 1nhn h TYR 54 Cb 0.66 -0.09 -0.12 0.00 1.01 0.00 0.00 36.73 38.19 1nhn h TYR 54 CO -0.50 0.68 -0.53 0.39 -1.05 0.00 0.00 178.16 177.15 1nhn n GLU 55 N -4.61 -0.39 -0.32 4.88 1.02 0.11 -0.02 120.64 121.32 1nhn n GLU 55 Ca -0.06 1.42 0.31 0.00 -0.02 0.00 0.00 57.16 58.81 1nhn n GLU 55 Cb 0.32 -2.09 0.67 0.00 -0.02 0.00 0.00 31.44 30.32 1nhn n GLU 55 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1nhn h LYS 56 N 0.00 0.13 0.00 3.49 1.57 -1.65 0.16 116.57 120.27 1nhn h LYS 56 Ca 0.17 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.85 1nhn h LYS 56 Cb 0.40 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1nhn h LYS 56 CO -0.89 0.09 -0.52 -0.22 -0.57 0.00 0.00 179.45 177.34 1nhn h LYS 57 N 0.13 0.00 -0.95 3.15 3.64 -0.60 -3.08 116.57 118.87 1nhn h LYS 57 Ca 0.57 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 60.09 1nhn h LYS 57 Cb 1.99 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 33.66 1nhn h LYS 57 CO -0.12 0.82 -0.40 0.00 -2.27 0.00 0.00 179.45 177.49 1nhn n ALA 58 N -3.02 -0.19 0.26 5.00 0.00 0.71 0.22 120.51 123.49 1nhn n ALA 58 Ca -0.17 0.93 -0.16 0.00 0.00 0.00 0.00 53.44 54.03 1nhn n ALA 58 Cb 0.49 -0.38 -0.08 0.00 0.00 0.00 0.00 19.45 19.48 1nhn n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nhn h ALA 59 N 1.19 -0.77 -0.89 0.00 0.00 -0.88 -0.21 119.26 117.70 1nhn h ALA 59 Ca 0.30 -0.14 0.24 0.00 0.00 0.00 0.00 54.91 55.31 1nhn h ALA 59 Cb 0.54 0.43 -0.14 0.00 0.00 0.00 0.00 17.79 18.62 1nhn h ALA 59 CO -0.93 -0.96 0.23 -0.22 0.00 0.00 0.00 179.25 177.37 1nhn h LYS 60 N -0.76 0.19 0.60 0.00 3.64 -0.13 0.43 116.57 120.54 1nhn h LYS 60 Ca -0.04 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 1nhn h LYS 60 Cb 0.65 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.43 1nhn h LYS 60 CO 0.01 0.12 -0.29 -0.07 -2.27 0.00 0.00 179.45 176.95 1nhn h LEU 61 N 0.19 -0.69 -1.99 5.20 3.38 -0.05 -1.68 115.31 119.68 1nhn h LEU 61 Ca 0.56 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.51 1nhn h LEU 61 Cb 1.14 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 42.07 1nhn h LEU 61 CO -0.67 -0.32 0.02 0.07 0.09 0.00 0.00 178.44 177.63 1nhn h LYS 62 N -1.09 0.02 0.46 1.13 2.10 -0.66 -1.24 116.57 117.29 1nhn h LYS 62 Ca -0.08 -0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.54 1nhn h LYS 62 Cb 0.67 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.00 1nhn h LYS 62 CO 0.14 0.01 -0.22 1.49 -2.00 0.00 0.00 179.45 178.87 1nhn h GLU 63 N 0.02 -0.59 -0.84 0.07 4.81 -0.88 -1.41 114.58 115.75 1nhn h GLU 63 Ca 0.01 0.04 0.18 0.00 -0.13 0.00 0.00 59.36 59.47 1nhn h GLU 63 Cb 0.04 0.13 -0.11 0.00 0.63 0.00 0.00 28.75 29.44 1nhn h GLU 63 CO -0.00 -0.39 0.36 1.57 -0.73 0.00 0.00 179.01 179.81 1nhn h LYS 64 N -0.73 0.42 -0.00 1.92 2.10 -0.90 -2.17 116.57 117.21 1nhn h LYS 64 Ca -0.06 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 1nhn h LYS 64 Cb 0.47 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 31.70 1nhn h LYS 64 CO 0.10 0.28 -0.05 -0.92 -2.00 0.00 0.00 179.45 176.86 1nhn h TYR 65 N 0.43 -0.16 -0.89 0.07 3.20 -1.11 -0.45 116.97 118.06 1nhn h TYR 65 Ca 0.50 0.01 0.26 0.00 3.14 0.00 0.00 58.73 62.63 1nhn h TYR 65 Cb 0.86 0.07 -0.04 0.00 1.54 0.00 0.00 36.73 39.16 1nhn h TYR 65 CO -0.15 -0.06 1.02 0.93 -1.64 0.00 0.00 178.16 178.26 1nhn h GLU 66 N -0.06 0.00 0.07 1.82 5.08 -0.60 0.22 114.58 121.11 1nhn h GLU 66 Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1nhn h GLU 66 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1nhn h GLU 66 CO -0.04 0.00 -1.04 0.87 -1.00 0.00 0.00 179.01 177.80 1nhn h LYS 67 N 0.00 0.15 0.00 2.33 6.56 -0.95 -1.88 116.57 122.78 1nhn h LYS 67 Ca 0.42 -0.26 -0.08 0.00 -1.06 0.00 0.00 60.65 59.67 1nhn h LYS 67 Cb 2.45 0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 34.20 1nhn h LYS 67 CO -0.00 1.12 -0.40 0.22 -2.06 0.00 0.00 179.45 178.33 1nhn h ASP 68 N -0.59 0.00 0.04 0.86 1.82 0.36 0.23 116.42 119.14 1nhn h ASP 68 Ca -0.24 0.00 -0.20 0.00 -0.39 0.00 0.00 57.03 56.21 1nhn h ASP 68 Cb 1.51 0.00 0.02 0.00 0.68 0.00 0.00 39.33 41.54 1nhn h ASP 68 CO 0.00 0.40 -0.79 -0.29 -1.61 0.00 0.00 179.24 176.94 1nhn h ILE 69 N 0.00 1.40 0.00 2.25 -0.00 -0.77 -1.19 117.51 119.20 1nhn h ILE 69 Ca -0.00 -2.23 -0.03 0.00 -0.00 0.00 0.00 64.86 62.60 1nhn h ILE 69 Cb 0.85 2.68 -0.00 0.00 -0.00 0.00 0.00 36.82 40.35 1nhn h ILE 69 CO 0.05 0.66 -0.13 0.00 -0.00 0.00 0.00 178.15 178.73 1nhn h ALA 70 N 0.29 1.46 -0.00 0.18 0.00 -0.93 0.52 119.26 120.77 1nhn h ALA 70 Ca -0.11 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1nhn h ALA 70 Cb 1.51 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1nhn h ALA 70 CO 0.15 0.16 -0.30 0.00 0.00 0.00 0.00 179.25 179.26 1nhn n ALA 71 N -2.36 3.08 -0.08 0.00 0.00 0.77 -1.53 120.51 120.38 1nhn n ALA 71 Ca -0.02 -0.26 -0.10 0.00 0.00 0.00 0.00 53.44 53.05 1nhn n ALA 71 Cb 0.22 -1.25 -0.09 0.00 0.00 0.00 0.00 19.45 18.33 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 -1.43 0.00 -0.10 0.00 9.36 -0.42 -4.26 117.16 120.31 1nhn n TYR 72 Ca 0.07 0.00 -0.17 0.00 3.32 0.00 0.00 57.90 61.12 1nhn n TYR 72 Cb 0.33 -0.70 -0.09 0.00 -0.63 0.00 0.00 39.34 38.26 1nhn n TYR 72 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1nhn n ARG 73 N -2.84 0.48 -1.94 2.98 0.00 0.04 -4.58 116.66 110.80 1nhn n ARG 73 Ca -0.29 0.14 -0.32 0.00 -0.00 0.00 0.00 57.85 57.39 1nhn n ARG 73 Cb 0.89 -1.34 0.03 0.00 0.00 0.00 0.00 32.46 32.04 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 -3.40 5.78 0.00 5.13 0.00 -0.77 -4.96 120.51 122.29 1nhn n ALA 74 Ca -0.37 -3.95 0.00 0.00 0.00 0.00 0.00 53.44 49.12 1nhn n ALA 74 Cb 0.85 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 19.09 1nhn n ALA 74 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1nhn n LYS 75 N -0.65 0.00 0.00 0.00 4.01 -0.58 -4.40 118.16 116.54 1nhn n LYS 75 Ca 0.50 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.30 1nhn n LYS 75 Cb 0.60 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.12 1nhn n LYS 75 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1nhn n GLY 76 N 0.00 1.26 0.00 0.72 0.00 -1.26 -4.49 105.19 101.42 1nhn n GLY 76 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 0.00 0.00 1.61 3.00 -1.26 -4.94 118.16 116.57 1nhn n LYS 77 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.40 1nhn n LYS 77 Cb 0.00 0.00 0.54 0.00 0.00 0.00 0.00 35.03 35.57 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 0.65 -2.01 1.64 -0.04 -1.26 -4.87 135.00 129.10 1nhn n PRO 78 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1nhn n PRO 78 Cb 0.00 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 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 -0.94 0.00 -4.28 3.54 2.03 -1.26 -4.87 116.55 110.78 1nhn n ASP 79 Ca 0.14 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 55.09 1nhn n ASP 79 Cb 0.06 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.32 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 -2.21 2.83 -0.99 -1.67 0.00 -1.26 -5.17 121.76 113.28 1nhn s ALA 80 Ca 0.00 -1.35 0.08 0.00 0.00 0.00 0.00 51.96 50.69 1nhn s ALA 80 Cb 0.00 -1.81 0.06 0.00 0.00 0.00 0.00 23.12 21.38 1nhn s ALA 80 CO 0.00 -0.69 0.75 0.00 0.00 0.00 0.00 175.76 175.82