#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 0.00 -0.14 5.41 0.00 -1.26 -4.61 120.51 119.92 1nhn n ALA 4 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1nhn n ALA 4 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 19.45 19.63 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 0.00 -0.01 -1.97 0.00 -0.02 -1.26 -4.78 135.00 126.97 1nhn n PRO 5 Ca 0.00 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1nhn n PRO 5 Cb 0.00 -0.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.88 1nhn n PRO 5 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1nhn n LYS 6 N -2.85 -0.11 -0.10 -0.52 4.76 -1.26 -4.86 118.16 113.22 1nhn n LYS 6 Ca 0.10 -0.05 -0.16 0.00 -2.87 0.00 0.00 58.31 55.33 1nhn n LYS 6 Cb 0.42 0.10 -0.06 0.00 -1.84 0.00 0.00 35.03 33.65 1nhn n LYS 6 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1nhn n ARG 7 N -0.41 0.54 0.00 1.97 1.74 -1.26 -5.00 116.66 114.23 1nhn n ARG 7 Ca 0.00 0.31 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 1nhn n ARG 7 Cb 0.00 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 29.92 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 -4.42 0.00 -0.48 5.56 -0.02 -1.26 -4.92 135.00 129.46 1nhn n PRO 8 Ca -0.27 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 60.93 1nhn n PRO 8 Cb 0.61 0.00 0.22 0.00 -0.02 0.00 0.00 33.50 34.31 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 0.00 -2.77 -0.00 0.52 -0.02 -1.26 -4.98 135.00 126.48 1nhn n PRO 9 Ca 0.00 -0.80 0.00 0.00 -2.02 0.00 0.00 63.50 60.68 1nhn n PRO 9 Cb 0.00 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 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 -3.52 1.87 0.00 2.55 2.88 -1.26 -4.96 113.62 111.17 1nhn n SER 10 Ca 0.05 -1.93 0.00 0.00 -1.33 0.00 0.00 58.87 55.65 1nhn n SER 10 Cb 0.55 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 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 -0.47 0.00 0.26 -1.46 0.00 -1.26 -4.55 120.51 113.04 1nhn n ALA 11 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1nhn n ALA 11 Cb 0.27 0.00 0.76 0.00 0.00 0.00 0.00 19.45 20.48 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 3.04 -1.97 -2.00 116.94 115.84 1nhn h PHE 12 Ca 0.00 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 1nhn h PHE 12 Cb 0.00 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.50 1nhn h PHE 12 CO 0.00 0.00 0.04 0.35 -2.02 0.00 0.00 178.31 176.68 1nhn h PHE 13 N 0.00 0.29 0.27 0.41 3.04 -1.94 -0.77 116.94 118.23 1nhn h PHE 13 Ca 0.01 -0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.92 1nhn h PHE 13 Cb 0.06 -0.08 -0.00 0.00 2.56 0.00 0.00 35.95 38.49 1nhn h PHE 13 CO 0.00 0.41 -0.14 -0.07 -2.02 0.00 0.00 178.31 176.49 1nhn h LEU 14 N 0.08 -0.35 -0.88 0.59 -0.00 -1.76 -2.21 115.31 110.78 1nhn h LEU 14 Ca 0.05 0.02 0.23 0.00 -0.00 0.00 0.00 57.88 58.18 1nhn h LEU 14 Cb 0.27 0.10 -0.15 0.00 -0.00 0.00 0.00 40.66 40.88 1nhn h LEU 14 CO 0.00 -0.24 0.15 0.15 -0.00 0.00 0.00 178.44 178.50 1nhn h PHE 15 N -0.38 0.19 0.91 1.13 3.57 -1.39 -1.39 116.94 119.58 1nhn h PHE 15 Ca -0.03 0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 1nhn h PHE 15 Cb 0.30 0.06 0.01 0.00 2.79 0.00 0.00 35.95 39.11 1nhn h PHE 15 CO -0.07 -0.27 -0.44 0.00 -2.23 0.00 0.00 178.31 175.30 1nhn n SER 17 N -5.44 -0.46 0.12 0.00 2.88 -0.54 0.22 113.62 110.40 1nhn n SER 17 Ca -0.15 1.01 -0.02 0.00 -1.33 0.00 0.00 58.87 58.38 1nhn n SER 17 Cb 0.48 -0.20 0.08 0.00 -0.75 0.00 0.00 64.21 63.82 1nhn n SER 17 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1nhn h GLU 18 N 0.00 0.00 0.00 -1.46 5.08 -1.57 -3.40 114.58 113.24 1nhn h GLU 18 Ca 0.16 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 58.09 1nhn h GLU 18 Cb 0.31 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.49 1nhn h GLU 18 CO -0.56 0.72 -2.42 0.66 -1.00 0.00 0.00 179.01 176.41 1nhn n TYR 19 N -3.57 0.12 -0.24 4.33 4.02 0.77 -4.20 117.16 118.39 1nhn n TYR 19 Ca -0.00 0.04 0.01 0.00 -0.01 0.00 0.00 57.90 57.94 1nhn n TYR 19 Cb 0.73 -1.01 0.05 0.00 -0.02 0.00 0.00 39.34 39.08 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 -4.04 -0.12 0.09 -0.72 0.63 0.13 0.87 116.66 113.50 1nhn n ARG 20 Ca -0.51 0.98 0.12 0.00 -0.92 0.00 0.00 57.85 57.53 1nhn n ARG 20 Cb 0.90 -1.46 0.24 0.00 0.45 0.00 0.00 32.46 32.60 1nhn n ARG 20 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 1nhn h PRO 21 N 0.00 0.00 0.07 -0.14 0.11 -1.80 -2.73 132.00 127.50 1nhn h PRO 21 Ca 0.25 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.15 1nhn h PRO 21 Cb 0.41 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 1nhn h PRO 21 CO -0.64 0.00 -1.05 0.87 -0.21 0.00 0.00 178.00 176.97 1nhn h LYS 22 N 0.00 0.15 -0.11 1.05 6.56 0.31 -2.49 116.57 122.03 1nhn h LYS 22 Ca 0.00 -0.25 -0.22 0.00 -1.06 0.00 0.00 60.65 59.12 1nhn h LYS 22 Cb 0.77 0.09 0.01 0.00 -0.57 0.00 0.00 32.23 32.53 1nhn h LYS 22 CO 0.00 1.12 -0.78 -0.84 -2.06 0.00 0.00 179.45 176.89 1nhn h ILE 23 N -0.60 1.30 -0.44 1.86 3.07 -1.03 -2.50 117.51 119.17 1nhn h ILE 23 Ca -0.24 -2.01 0.01 0.00 1.55 0.00 0.00 64.86 64.17 1nhn h ILE 23 Cb 1.50 2.13 -0.02 0.00 -0.27 0.00 0.00 36.82 40.16 1nhn h ILE 23 CO -0.01 0.63 0.29 0.50 -1.05 0.00 0.00 178.15 178.51 1nhn h LYS 24 N 0.41 0.55 -0.14 0.16 3.64 -1.63 1.15 116.57 120.70 1nhn h LYS 24 Ca -0.07 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 1nhn h LYS 24 Cb 1.42 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.11 1nhn h LYS 24 CO 0.16 0.36 0.01 0.78 -2.27 0.00 0.00 179.45 178.49 1nhn h GLY 25 N 0.57 0.21 0.32 5.01 0.00 -1.02 -1.19 103.07 106.97 1nhn h GLY 25 Ca 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1nhn h GLY 25 CO -0.04 0.09 -1.38 1.18 0.00 0.00 0.00 176.54 176.40 1nhn n GLU 26 N -4.43 0.41 -2.99 4.80 -0.58 0.25 -4.45 120.64 113.66 1nhn n GLU 26 Ca -0.01 -0.06 -0.27 0.00 -0.42 0.00 0.00 57.16 56.40 1nhn n GLU 26 Cb 0.15 -1.58 -0.04 0.00 -0.57 0.00 0.00 31.44 29.40 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 -2.08 3.95 -1.01 -0.32 8.25 0.37 -4.80 115.22 119.58 1nhn n HIS 27 Ca -0.00 -4.01 -0.15 0.00 -0.26 0.00 0.00 57.72 53.30 1nhn n HIS 27 Cb 0.48 -0.50 -0.05 0.00 1.12 0.00 0.00 29.99 31.04 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 1.86 0.00 -0.41 -0.04 -0.62 -3.28 135.00 132.38 1nhn n PRO 28 Ca 0.31 -1.31 0.00 0.00 -0.04 0.00 0.00 63.50 62.46 1nhn n PRO 28 Cb 0.40 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 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 1.33 0.00 0.00 0.55 0.00 -1.26 -5.09 105.19 100.71 1nhn n GLY 29 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 -1.83 0.00 0.00 0.99 -0.00 -1.20 -5.16 117.00 109.79 1nhn n LEU 30 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1nhn n LEU 30 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.75 1nhn n LEU 30 CO 0.00 -0.17 0.00 -1.54 -0.00 0.00 0.00 177.39 175.68 1nhn n SER 31 N -1.63 1.94 -1.18 1.45 3.41 -1.26 -4.97 113.62 111.37 1nhn n SER 31 Ca 0.00 -0.86 -0.02 0.00 -0.26 0.00 0.00 58.87 57.73 1nhn n SER 31 Cb 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.07 1nhn n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nhn n ILE 32 N -0.03 1.33 -0.03 -1.33 3.06 -1.26 -1.31 119.36 119.79 1nhn n ILE 32 Ca 0.00 -0.59 -0.03 0.00 -2.50 0.00 0.00 62.75 59.63 1nhn n ILE 32 Cb 0.00 -0.56 -0.04 0.00 0.54 0.00 0.00 39.64 39.58 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 0.11 -0.25 0.17 4.50 0.00 -1.26 -4.29 105.19 104.17 1nhn n GLY 33 Ca 0.15 -0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.27 2.25 0.23 1.61 -0.08 -0.99 -2.62 116.55 114.68 1nhn n ASP 34 Ca -0.09 -0.01 0.07 0.00 -1.51 0.00 0.00 54.79 53.25 1nhn n ASP 34 Cb 0.67 -0.37 0.54 0.00 2.34 0.00 0.00 41.12 44.30 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 -0.19 0.94 0.01 5.18 3.04 -1.50 0.20 116.25 123.92 1nhn h VAL 35 Ca -0.44 -0.81 -0.12 0.00 -1.01 0.00 0.00 66.70 64.32 1nhn h VAL 35 Cb 1.59 1.46 0.01 0.00 -2.01 0.00 0.00 31.29 32.34 1nhn h VAL 35 CO -0.13 0.21 -0.49 0.00 -1.01 0.00 0.00 177.57 176.16 1nhn h ALA 36 N 1.78 0.05 0.00 3.17 0.00 -1.74 -1.24 119.26 121.28 1nhn h ALA 36 Ca -0.00 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 1nhn h ALA 36 Cb 0.45 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1nhn h ALA 36 CO 0.03 0.26 -0.23 1.57 0.00 0.00 0.00 179.25 180.88 1nhn h LYS 37 N -0.26 0.00 0.36 0.00 2.10 -1.12 0.11 116.57 117.76 1nhn h LYS 37 Ca -0.06 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.57 1nhn h LYS 37 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1nhn h LYS 37 CO 0.10 0.23 -0.17 0.87 -2.00 0.00 0.00 179.45 178.47 1nhn h LYS 38 N 0.00 -0.47 -0.55 0.07 1.79 -0.57 -2.60 116.57 114.24 1nhn h LYS 38 Ca -0.00 0.03 0.11 0.00 -2.18 0.00 0.00 60.65 58.61 1nhn h LYS 38 Cb 0.63 0.11 -0.11 0.00 -1.58 0.00 0.00 32.23 31.28 1nhn h LYS 38 CO 0.03 -0.31 -0.14 -0.07 -1.08 0.00 0.00 179.45 177.87 1nhn h LEU 39 N -0.74 -0.53 -0.41 2.94 3.38 -1.14 0.25 115.31 119.07 1nhn h LEU 39 Ca -0.05 0.17 0.15 0.00 0.09 0.00 0.00 57.88 58.24 1nhn h LEU 39 Cb 0.37 0.35 -0.07 0.00 0.09 0.00 0.00 40.66 41.40 1nhn h LEU 39 CO 0.08 -0.19 0.14 0.61 0.09 0.00 0.00 178.44 179.18 1nhn n GLY 40 N -1.39 -0.40 0.39 0.83 0.00 0.37 -1.38 105.19 103.60 1nhn n GLY 40 Ca 0.06 0.36 -0.14 0.00 0.00 0.00 0.00 46.02 46.29 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 -4.11 0.33 -0.40 1.61 1.02 -0.19 -4.69 120.64 114.22 1nhn n GLU 41 Ca 0.13 0.12 0.35 0.00 -0.02 0.00 0.00 57.16 57.74 1nhn n GLU 41 Cb 0.45 -1.12 0.59 0.00 -0.02 0.00 0.00 31.44 31.34 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 -3.43 -0.04 -0.37 3.49 2.81 0.72 -0.45 117.12 119.85 1nhn n MET 42 Ca -0.28 1.15 0.02 0.00 -1.81 0.00 0.00 57.70 56.78 1nhn n MET 42 Cb 0.73 -2.22 0.17 0.00 -0.71 0.00 0.00 33.22 31.19 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 1.20 -0.02 2.03 2.91 -1.72 0.35 115.95 120.70 1nhn h TRP 43 Ca 0.79 0.03 -0.24 0.00 1.13 0.00 0.00 58.89 60.60 1nhn h TRP 43 Cb 2.44 -0.40 0.01 0.00 -0.51 0.00 0.00 29.16 30.70 1nhn h TRP 43 CO -0.01 0.64 -0.95 -0.91 -1.03 0.00 0.00 178.44 176.19 1nhn h ASN 44 N 1.19 0.74 -0.55 2.65 2.35 -1.05 -3.00 115.58 117.92 1nhn h ASN 44 Ca 0.42 -0.57 -0.32 0.00 -0.55 0.00 0.00 56.30 55.28 1nhn h ASN 44 Cb 0.13 -0.22 -0.16 0.00 0.05 0.00 0.00 38.32 38.11 1nhn h ASN 44 CO -0.16 1.36 0.41 0.59 -1.65 0.00 0.00 177.43 177.99 1nhn n ASN 45 N -3.82 4.82 -1.67 5.81 3.02 -0.63 -4.83 115.26 117.96 1nhn n ASN 45 Ca -0.08 -3.00 0.00 0.00 -0.03 0.00 0.00 54.58 51.46 1nhn n ASN 45 Cb 0.84 -0.84 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 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 -0.15 0.00 -0.90 3.41 5.66 0.11 -4.85 114.28 117.57 1nhn n THR 46 Ca 0.34 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.30 1nhn n THR 46 Cb 0.90 0.00 0.31 0.00 -1.55 0.00 0.00 70.33 69.99 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 4.37 -0.50 1.79 0.00 -1.26 -4.92 120.51 116.99 1nhn n ALA 47 Ca 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 53.44 51.32 1nhn n ALA 47 Cb 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.23 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 0.04 0.00 0.00 0.00 0.00 -1.26 -3.74 120.51 115.54 1nhn n ALA 48 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1nhn n ALA 48 Cb 1.31 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 20.63 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 0.62 1.56 -0.12 0.00 9.92 -1.26 -4.74 116.55 122.53 1nhn n ASP 49 Ca 0.00 0.00 0.14 0.00 -0.53 0.00 0.00 54.79 54.40 1nhn n ASP 49 Cb 0.00 0.26 0.55 0.00 -0.64 0.00 0.00 41.12 41.29 1nhn n ASP 49 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1nhn n ASP 50 N -0.64 0.52 0.07 -2.24 9.92 -1.25 -3.55 116.55 119.39 1nhn n ASP 50 Ca 0.00 -0.53 -0.21 0.00 -0.53 0.00 0.00 54.79 53.53 1nhn n ASP 50 Cb 0.05 -0.05 -0.15 0.00 -0.64 0.00 0.00 41.12 40.34 1nhn n ASP 50 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1nhn h LYS 51 N 0.59 0.34 -0.63 -1.24 1.57 -1.90 -3.33 116.57 111.97 1nhn h LYS 51 Ca 0.00 -0.59 0.12 0.00 -1.87 0.00 0.00 60.65 58.31 1nhn h LYS 51 Cb 0.40 0.22 -0.12 0.00 0.08 0.00 0.00 32.23 32.81 1nhn h LYS 51 CO 0.00 1.24 -0.28 1.96 -0.57 0.00 0.00 179.45 181.80 1nhn h GLN 52 N 0.09 -0.10 0.50 3.15 7.50 -1.89 0.18 115.11 124.55 1nhn h GLN 52 Ca -0.30 0.01 -0.01 0.00 0.50 0.00 0.00 58.65 58.84 1nhn h GLN 52 Cb 2.07 0.02 -0.02 0.00 0.05 0.00 0.00 27.48 29.60 1nhn h GLN 52 CO 0.18 -0.07 -0.50 -1.00 -1.50 0.00 0.00 178.83 175.93 1nhn h PRO 53 N -0.11 -0.97 -0.83 1.46 0.13 -1.74 -1.77 132.00 128.17 1nhn h PRO 53 Ca 0.27 0.07 0.17 0.00 -0.87 0.00 0.00 66.00 65.64 1nhn h PRO 53 Cb 0.54 0.22 -0.15 0.00 0.13 0.00 0.00 31.00 31.74 1nhn h PRO 53 CO -0.70 -0.65 -0.15 1.88 -0.23 0.00 0.00 178.00 178.15 1nhn h TYR 54 N -1.01 -0.34 0.33 1.56 0.05 -1.42 -0.84 116.97 115.29 1nhn h TYR 54 Ca -0.06 0.07 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 1nhn h TYR 54 Cb 0.88 0.28 -0.02 0.00 1.01 0.00 0.00 36.73 38.88 1nhn h TYR 54 CO -0.25 -0.34 -0.34 0.93 -1.05 0.00 0.00 178.16 177.11 1nhn h GLU 55 N 0.02 -0.64 -1.44 4.88 4.39 -0.46 0.10 114.58 121.42 1nhn h GLU 55 Ca 0.42 0.04 0.43 0.00 0.34 0.00 0.00 59.36 60.59 1nhn h GLU 55 Cb 0.68 0.15 -0.09 0.00 -0.10 0.00 0.00 28.75 29.38 1nhn h GLU 55 CO -0.82 -0.43 1.00 0.87 -1.16 0.00 0.00 179.01 178.47 1nhn h LYS 56 N -0.66 0.07 0.03 2.33 1.57 -0.27 0.25 116.57 119.88 1nhn h LYS 56 Ca -0.04 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1nhn h LYS 56 Cb 0.58 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1nhn h LYS 56 CO -0.05 0.05 -0.01 -0.22 -0.57 0.00 0.00 179.45 178.65 1nhn h LYS 57 N 0.07 -0.04 -0.79 3.15 3.64 -0.69 -2.97 116.57 118.95 1nhn h LYS 57 Ca 0.76 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 60.29 1nhn h LYS 57 Cb 2.72 0.01 -0.15 0.00 -0.41 0.00 0.00 32.23 34.40 1nhn h LYS 57 CO -0.17 0.32 -0.25 0.00 -2.27 0.00 0.00 179.45 177.08 1nhn h ALA 58 N -0.63 0.37 -0.49 5.00 0.00 0.11 0.13 119.26 123.75 1nhn h ALA 58 Ca -0.00 0.28 0.10 0.00 0.00 0.00 0.00 54.91 55.28 1nhn h ALA 58 Cb 0.37 0.70 -0.10 0.00 0.00 0.00 0.00 17.79 18.76 1nhn h ALA 58 CO 0.01 -0.49 -0.27 0.00 0.00 0.00 0.00 179.25 178.50 1nhn h ALA 59 N 1.59 0.02 -0.41 0.00 0.00 -0.70 0.16 119.26 119.93 1nhn h ALA 59 Ca 0.35 0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.50 1nhn h ALA 59 Cb 0.58 0.64 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 1nhn h ALA 59 CO -0.82 -0.63 -0.11 -0.22 0.00 0.00 0.00 179.25 177.47 1nhn h LYS 60 N -0.16 -0.02 -0.32 0.00 3.64 -0.59 0.70 116.57 119.83 1nhn h LYS 60 Ca 0.22 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.55 1nhn h LYS 60 Cb 0.51 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1nhn h LYS 60 CO -0.59 -0.01 -0.01 -0.07 -2.27 0.00 0.00 179.45 176.51 1nhn h LEU 61 N -0.02 0.55 -0.11 5.20 3.38 -0.73 -2.91 115.31 120.68 1nhn h LEU 61 Ca 0.20 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1nhn h LEU 61 Cb 0.31 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1nhn h LEU 61 CO -0.43 0.73 0.00 2.29 0.09 0.00 0.00 178.44 181.13 1nhn n LYS 62 N -4.54 1.07 -0.04 1.13 2.85 0.47 -2.96 118.16 116.14 1nhn n LYS 62 Ca -0.02 -0.11 -0.03 0.00 -1.05 0.00 0.00 58.31 57.10 1nhn n LYS 62 Cb 0.27 -1.36 -0.01 0.00 -0.65 0.00 0.00 35.03 33.28 1nhn n LYS 62 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1nhn n GLU 63 N -0.74 0.24 -0.31 -1.58 2.13 0.21 -2.95 120.64 117.64 1nhn n GLU 63 Ca 0.17 0.31 0.15 0.00 0.66 0.00 0.00 57.16 58.45 1nhn n GLU 63 Cb 0.11 -1.15 0.33 0.00 0.27 0.00 0.00 31.44 30.99 1nhn n GLU 63 CO 0.00 0.00 0.00 1.57 -0.41 0.00 0.00 177.13 178.29 1nhn h LYS 64 N -0.50 0.28 0.53 5.31 2.10 -1.59 -0.06 116.57 122.63 1nhn h LYS 64 Ca 0.00 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.62 1nhn h LYS 64 Cb 0.32 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 31.58 1nhn h LYS 64 CO 0.00 0.18 -0.41 -0.92 -2.00 0.00 0.00 179.45 176.31 1nhn h TYR 65 N 0.28 -1.10 -1.54 0.07 5.03 -1.71 -2.10 116.97 115.91 1nhn h TYR 65 Ca 0.58 -0.00 0.48 0.00 2.58 0.00 0.00 58.73 62.37 1nhn h TYR 65 Cb 1.19 0.41 -0.11 0.00 1.55 0.00 0.00 36.73 39.77 1nhn h TYR 65 CO -0.18 -0.59 1.05 0.93 -1.32 0.00 0.00 178.16 178.05 1nhn h GLU 66 N -0.91 0.04 0.13 1.82 5.08 -0.89 0.27 114.58 120.12 1nhn h GLU 66 Ca -0.06 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1nhn h GLU 66 Cb 0.77 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1nhn h GLU 66 CO 0.01 0.03 -0.06 0.87 -1.00 0.00 0.00 179.01 178.85 1nhn h LYS 67 N 0.04 -0.17 -0.59 2.33 1.79 -1.28 -1.12 116.57 117.57 1nhn h LYS 67 Ca 0.85 0.01 0.14 0.00 -2.18 0.00 0.00 60.65 59.47 1nhn h LYS 67 Cb 2.98 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 33.64 1nhn h LYS 67 CO -0.25 0.25 0.41 0.22 -1.08 0.00 0.00 179.45 179.00 1nhn h ASP 68 N -0.92 0.14 0.05 0.86 1.82 -0.07 0.09 116.42 118.39 1nhn h ASP 68 Ca -0.02 0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1nhn h ASP 68 Cb 0.50 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.49 1nhn h ASP 68 CO 0.03 0.08 -0.02 -0.29 -1.61 0.00 0.00 179.24 177.43 1nhn h ILE 69 N 0.16 1.31 -1.08 2.25 -0.00 -0.62 -1.08 117.51 118.45 1nhn h ILE 69 Ca 0.28 -1.29 0.30 0.00 -0.00 0.00 0.00 64.86 64.15 1nhn h ILE 69 Cb 0.90 2.14 -0.06 0.00 -0.00 0.00 0.00 36.82 39.79 1nhn h ILE 69 CO -0.04 0.32 0.74 0.00 -0.00 0.00 0.00 178.15 179.17 1nhn h ALA 70 N 0.24 2.72 0.03 0.18 0.00 0.28 0.56 119.26 123.27 1nhn h ALA 70 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1nhn h ALA 70 Cb 0.57 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1nhn h ALA 70 CO 0.01 -1.07 -0.01 0.00 0.00 0.00 0.00 179.25 178.18 1nhn h ALA 71 N 1.52 -0.04 -0.94 0.00 0.00 -0.76 0.44 119.26 119.49 1nhn h ALA 71 Ca 0.55 -0.36 0.21 0.00 0.00 0.00 0.00 54.91 55.31 1nhn h ALA 71 Cb 1.87 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 19.56 1nhn h ALA 71 CO -0.12 -0.11 0.50 -0.92 0.00 0.00 0.00 179.25 178.60 1nhn h TYR 72 N -0.86 0.85 0.10 0.00 3.20 0.35 -0.88 116.97 119.74 1nhn h TYR 72 Ca -0.00 0.04 -0.30 0.00 3.14 0.00 0.00 58.73 61.61 1nhn h TYR 72 Cb 0.73 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 1nhn h TYR 72 CO 0.18 0.08 -1.52 -0.09 -1.64 0.00 0.00 178.16 175.18 1nhn h ARG 73 N 0.56 0.20 -0.29 1.82 9.65 -1.19 -3.37 114.38 121.77 1nhn h ARG 73 Ca 0.57 -0.35 0.06 0.00 -1.10 0.00 0.00 59.98 59.16 1nhn h ARG 73 Cb 1.00 0.13 -0.06 0.00 -1.39 0.00 0.00 29.97 29.66 1nhn h ARG 73 CO -0.46 1.05 -0.07 0.00 2.80 0.00 0.00 179.97 183.29 1nhn n ALA 74 N -2.64 0.07 0.00 2.80 0.00 0.15 -3.84 120.51 117.05 1nhn n ALA 74 Ca -0.16 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1nhn n ALA 74 Cb 1.04 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 20.29 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 -4.47 0.00 0.00 0.00 4.81 -1.25 -4.73 118.16 112.53 1nhn n LYS 75 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 1nhn n LYS 75 Cb 0.15 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.20 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 0.00 1.69 3.38 3.14 0.00 -1.25 -4.89 105.19 107.25 1nhn n GLY 76 Ca 0.00 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 3.47 0.12 1.61 1.02 -1.26 -5.00 119.74 119.70 1nhn s LYS 77 Ca 0.00 -0.58 -0.33 0.00 0.02 0.00 0.00 55.97 55.08 1nhn s LYS 77 Cb 0.00 -3.21 -0.12 0.00 -0.52 0.00 0.00 37.83 33.98 1nhn s LYS 77 CO 0.00 -0.23 1.54 -1.35 -0.92 0.00 0.00 175.35 174.39 1nhn h PRO 78 N 8.19 -0.52 -3.84 -1.68 0.11 -2.02 -3.43 132.00 128.80 1nhn h PRO 78 Ca -0.39 0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.62 1nhn h PRO 78 Cb 1.16 0.12 -0.18 0.00 0.11 0.00 0.00 31.00 32.21 1nhn h PRO 78 CO 0.59 -0.35 -0.57 0.34 -0.21 0.00 0.00 178.00 177.80 1nhn s ASP 79 N -4.83 0.20 -0.52 -2.05 2.15 -1.26 -5.08 116.67 105.28 1nhn s ASP 79 Ca -0.15 -0.53 0.03 0.00 0.43 0.00 0.00 52.55 52.34 1nhn s ASP 79 Cb 0.07 0.20 0.41 0.00 -0.30 0.00 0.00 42.92 43.30 1nhn s ASP 79 CO 0.60 -0.46 1.38 0.00 -0.17 0.00 0.00 175.17 176.52 1nhn n ALA 80 N 0.96 5.47 0.00 3.66 0.00 -1.26 -5.17 120.51 124.16 1nhn n ALA 80 Ca -0.20 -4.15 0.00 0.00 0.00 0.00 0.00 53.44 49.09 1nhn n ALA 80 Cb 0.58 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.12 1nhn n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50