#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 2.63 -1.62 5.41 0.00 -1.26 -5.08 120.51 120.59 1nhn n ALA 4 Ca 0.00 -0.14 -0.38 0.00 0.00 0.00 0.00 53.44 52.92 1nhn n ALA 4 Cb 0.00 0.21 0.05 0.00 0.00 0.00 0.00 19.45 19.71 1nhn n ALA 4 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1nhn n PRO 5 N -3.64 0.92 -2.65 0.00 -0.04 -1.26 -4.86 135.00 123.47 1nhn n PRO 5 Ca -0.02 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 1nhn n PRO 5 Cb 0.09 -2.19 0.05 0.00 -0.04 0.00 0.00 33.50 31.41 1nhn n PRO 5 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1nhn n LYS 6 N -1.05 1.48 0.00 0.54 2.85 -1.26 -5.08 118.16 115.64 1nhn n LYS 6 Ca 0.14 -3.20 0.00 0.00 -1.05 0.00 0.00 58.31 54.20 1nhn n LYS 6 Cb 0.47 -1.30 0.00 0.00 -0.65 0.00 0.00 35.03 33.55 1nhn n LYS 6 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 1nhn n ARG 7 N -0.50 0.00 -2.22 -1.58 1.85 -1.26 -4.87 116.66 108.08 1nhn n ARG 7 Ca 0.05 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.64 1nhn n ARG 7 Cb 0.85 0.00 0.11 0.00 -1.05 0.00 0.00 32.46 32.37 1nhn n ARG 7 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1nhn s PRO 8 N 0.00 1.61 0.44 2.89 0.04 -1.26 -5.02 135.00 133.69 1nhn s PRO 8 Ca 0.00 -0.52 -0.07 0.00 0.04 0.00 0.00 61.00 60.45 1nhn s PRO 8 Cb 0.00 -2.11 -0.07 0.00 0.04 0.00 0.00 34.50 32.36 1nhn s PRO 8 CO 0.00 -1.64 -0.36 -2.30 0.04 0.00 0.00 177.00 172.74 1nhn n PRO 9 N -3.15 0.00 -0.34 0.56 -0.02 -1.26 -4.87 135.00 125.93 1nhn n PRO 9 Ca 0.12 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.67 1nhn n PRO 9 Cb 0.60 -0.44 0.11 0.00 -0.02 0.00 0.00 33.50 33.76 1nhn n PRO 9 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1nhn n SER 10 N 1.53 1.66 0.00 2.55 7.64 -1.26 -4.77 113.62 120.97 1nhn n SER 10 Ca -0.01 -2.92 0.00 0.00 1.01 0.00 0.00 58.87 56.95 1nhn n SER 10 Cb 0.25 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 1nhn n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nhn n ALA 11 N -0.96 0.00 0.17 -0.43 0.00 -1.26 -4.42 120.51 113.61 1nhn n ALA 11 Ca 0.12 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.60 1nhn n ALA 11 Cb 0.69 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.42 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 -0.34 0.00 3.57 -1.94 -3.07 116.94 115.16 1nhn h PHE 12 Ca 0.00 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 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 0.44 0.02 0.35 -2.23 0.00 0.00 178.31 176.88 1nhn h PHE 13 N 0.00 0.63 0.38 0.41 3.04 -1.93 0.28 116.94 119.75 1nhn h PHE 13 Ca -0.00 -0.10 -0.01 0.00 3.98 0.00 0.00 57.97 61.83 1nhn h PHE 13 Cb 0.98 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 39.30 1nhn h PHE 13 CO 0.00 0.68 -0.42 -0.07 -2.02 0.00 0.00 178.31 176.48 1nhn h LEU 14 N 0.40 -1.17 -0.85 0.59 -0.00 -1.91 -1.63 115.31 110.75 1nhn h LEU 14 Ca 0.10 0.10 0.22 0.00 -0.00 0.00 0.00 57.88 58.29 1nhn h LEU 14 Cb 0.42 0.39 -0.14 0.00 -0.00 0.00 0.00 40.66 41.33 1nhn h LEU 14 CO 0.01 -0.54 0.19 0.15 -0.00 0.00 0.00 178.44 178.26 1nhn h PHE 15 N -0.81 0.28 0.41 1.13 3.57 -1.48 -1.62 116.94 118.42 1nhn h PHE 15 Ca -0.05 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1nhn h PHE 15 Cb 0.71 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.43 1nhn h PHE 15 CO -0.24 -0.20 -0.48 0.00 -2.23 0.00 0.00 178.31 175.15 1nhn h SER 17 N -0.92 -1.49 -0.83 0.00 0.02 -0.38 0.20 113.55 110.15 1nhn h SER 17 Ca -0.04 0.23 0.24 0.00 -0.84 0.00 0.00 61.79 61.38 1nhn h SER 17 Cb 0.82 0.66 -0.04 0.00 0.14 0.00 0.00 62.40 63.99 1nhn h SER 17 CO -0.11 -0.35 0.59 -0.33 -1.14 0.00 0.00 176.83 175.49 1nhn h GLU 18 N -0.27 0.03 0.00 3.45 5.08 -1.24 -3.05 114.58 118.57 1nhn h GLU 18 Ca 0.16 -0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.37 1nhn h GLU 18 Cb 0.57 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 1nhn h GLU 18 CO -0.64 0.02 -1.73 0.66 -1.00 0.00 0.00 179.01 176.32 1nhn n TYR 19 N -4.31 0.00 -0.21 4.33 4.02 -0.70 -4.75 117.16 115.53 1nhn n TYR 19 Ca 0.17 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 58.00 1nhn n TYR 19 Cb 0.87 -0.49 -0.05 0.00 -0.02 0.00 0.00 39.34 39.66 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 -2.28 -0.22 0.00 -0.72 1.74 0.62 -0.19 116.66 115.61 1nhn n ARG 20 Ca -0.14 1.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.98 1nhn n ARG 20 Cb 0.71 -1.47 0.24 0.00 -1.02 0.00 0.00 32.46 30.91 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 -4.25 0.49 -0.12 5.56 -0.04 -1.26 -0.35 135.00 135.02 1nhn n PRO 21 Ca 0.01 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.23 1nhn n PRO 21 Cb 0.13 -1.26 -0.08 0.00 -0.04 0.00 0.00 33.50 32.25 1nhn n PRO 21 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1nhn n LYS 22 N -0.76 0.57 -0.03 0.54 3.00 0.73 -1.63 118.16 120.59 1nhn n LYS 22 Ca 0.06 0.30 -0.14 0.00 -0.00 0.00 0.00 58.31 58.53 1nhn n LYS 22 Cb 0.03 -1.51 -0.11 0.00 0.00 0.00 0.00 35.03 33.43 1nhn n LYS 22 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1nhn h ILE 23 N -1.00 1.53 -0.64 3.15 5.03 -1.41 -2.61 117.51 121.56 1nhn h ILE 23 Ca -0.49 -1.65 0.02 0.00 -0.12 0.00 0.00 64.86 62.62 1nhn h ILE 23 Cb 1.41 2.61 -0.03 0.00 -3.03 0.00 0.00 36.82 37.77 1nhn h ILE 23 CO -0.30 0.44 0.42 0.50 -0.68 0.00 0.00 178.15 178.53 1nhn h LYS 24 N -0.59 0.77 -0.84 2.37 3.64 -0.91 0.51 116.57 121.51 1nhn h LYS 24 Ca -0.01 -0.05 0.21 0.00 -1.27 0.00 0.00 60.65 59.54 1nhn h LYS 24 Cb 0.75 -0.17 -0.14 0.00 -0.41 0.00 0.00 32.23 32.25 1nhn h LYS 24 CO 0.01 0.51 0.11 0.78 -2.27 0.00 0.00 179.45 178.59 1nhn h GLY 25 N 0.79 1.13 0.34 5.01 0.00 -0.93 0.91 103.07 110.32 1nhn h GLY 25 Ca 0.25 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1nhn h GLY 25 CO -0.06 -0.35 -1.55 -1.84 0.00 0.00 0.00 176.54 172.73 1nhn n GLU 26 N -5.31 0.56 -2.61 4.80 0.28 -0.74 -4.45 120.64 113.17 1nhn n GLU 26 Ca 0.18 -0.08 -0.34 0.00 -0.16 0.00 0.00 57.16 56.77 1nhn n GLU 26 Cb 0.61 -1.61 -0.00 0.00 1.43 0.00 0.00 31.44 31.86 1nhn n GLU 26 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1nhn n HIS 27 N -2.29 3.35 0.07 -1.84 8.25 0.17 -4.83 115.22 118.10 1nhn n HIS 27 Ca -0.02 -3.11 0.00 0.00 -0.26 0.00 0.00 57.72 54.33 1nhn n HIS 27 Cb 0.53 -0.78 0.00 0.00 1.12 0.00 0.00 29.99 30.86 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 -0.26 1.00 0.00 -0.41 -0.04 0.04 -2.20 135.00 133.13 1nhn n PRO 28 Ca 0.41 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 1nhn n PRO 28 Cb 0.36 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 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 1.12 0.17 3.99 0.55 0.00 -1.26 -5.08 105.19 104.68 1nhn n GLY 29 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.69 2.97 0.00 0.99 1.43 -0.94 -5.12 118.68 116.32 1nhn s LEU 30 Ca 0.00 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 1nhn s LEU 30 Cb 0.00 -2.07 -0.00 0.00 0.03 0.00 0.00 46.19 44.15 1nhn s LEU 30 CO 0.00 -1.88 0.02 -1.20 0.23 0.00 0.00 176.35 173.52 1nhn n SER 31 N -2.87 2.96 -1.27 2.29 7.64 -1.26 -4.96 113.62 116.15 1nhn n SER 31 Ca 0.14 -3.01 -0.05 0.00 1.01 0.00 0.00 58.87 56.97 1nhn n SER 31 Cb 0.60 0.42 0.09 0.00 -1.01 0.00 0.00 64.21 64.31 1nhn n SER 31 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nhn n ILE 32 N -1.10 1.48 0.00 0.44 3.06 -1.26 -1.37 119.36 120.61 1nhn n ILE 32 Ca -0.17 -0.60 0.00 0.00 -2.50 0.00 0.00 62.75 59.48 1nhn n ILE 32 Cb 0.58 -0.68 0.00 0.00 0.54 0.00 0.00 39.64 40.08 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 0.03 0.00 0.26 4.50 0.00 -1.26 -4.42 105.19 104.30 1nhn n GLY 33 Ca 0.17 0.00 -0.25 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 -2.05 1.69 0.20 1.61 -0.08 -1.05 -2.29 116.55 114.58 1nhn n ASP 34 Ca 0.00 0.29 0.06 0.00 -1.51 0.00 0.00 54.79 53.64 1nhn n ASP 34 Cb 0.48 -0.70 0.56 0.00 2.34 0.00 0.00 41.12 43.80 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 -0.86 1.05 -0.08 5.18 3.04 -1.55 0.32 116.25 123.34 1nhn h VAL 35 Ca -0.60 -0.18 -0.24 0.00 -1.01 0.00 0.00 66.70 64.68 1nhn h VAL 35 Cb 1.52 0.97 0.01 0.00 -2.01 0.00 0.00 31.29 31.78 1nhn h VAL 35 CO -0.36 0.06 -0.89 0.00 -1.01 0.00 0.00 177.57 175.37 1nhn h ALA 36 N 1.90 0.26 -0.32 3.17 0.00 -1.74 -2.67 119.26 119.86 1nhn h ALA 36 Ca 0.03 -0.64 0.03 0.00 0.00 0.00 0.00 54.91 54.32 1nhn h ALA 36 Cb 0.06 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1nhn h ALA 36 CO -0.00 0.70 0.14 -0.22 0.00 0.00 0.00 179.25 179.86 1nhn h LYS 37 N 0.46 0.29 0.42 0.00 1.63 -0.01 0.30 116.57 119.66 1nhn h LYS 37 Ca -0.08 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.69 1nhn h LYS 37 Cb 1.53 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 33.07 1nhn h LYS 37 CO 0.18 0.19 -0.35 0.87 -3.45 0.00 0.00 179.45 176.88 1nhn h LYS 38 N 0.30 -0.75 -0.35 1.90 1.57 -1.14 -2.14 116.57 115.95 1nhn h LYS 38 Ca 0.14 0.05 0.07 0.00 -1.87 0.00 0.00 60.65 59.05 1nhn h LYS 38 Cb 0.08 0.17 -0.07 0.00 0.08 0.00 0.00 32.23 32.48 1nhn h LYS 38 CO -0.12 -0.50 -0.14 -0.07 -0.57 0.00 0.00 179.45 178.05 1nhn h LEU 39 N -0.78 -0.49 -1.06 2.94 3.38 -1.24 0.68 115.31 118.74 1nhn h LEU 39 Ca -0.04 0.13 0.38 0.00 0.09 0.00 0.00 57.88 58.44 1nhn h LEU 39 Cb 0.68 0.28 -0.12 0.00 0.09 0.00 0.00 40.66 41.59 1nhn h LEU 39 CO -0.02 -0.18 0.67 0.61 0.09 0.00 0.00 178.44 179.61 1nhn n GLY 40 N -1.33 -0.67 0.11 0.83 0.00 0.10 -1.10 105.19 103.13 1nhn n GLY 40 Ca 0.01 0.62 -0.17 0.00 0.00 0.00 0.00 46.02 46.48 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 -4.40 0.54 -0.37 1.61 1.02 -0.31 -4.46 120.64 114.27 1nhn n GLU 41 Ca 0.32 0.34 0.33 0.00 -0.02 0.00 0.00 57.16 58.13 1nhn n GLU 41 Cb 1.23 -1.55 0.60 0.00 -0.02 0.00 0.00 31.44 31.70 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 0.07 -0.96 3.49 2.86 0.69 0.90 114.93 120.97 1nhn h MET 42 Ca -0.30 -0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.46 1nhn h MET 42 Cb 1.18 -0.02 -0.09 0.00 0.06 0.00 0.00 31.60 32.74 1nhn h MET 42 CO -0.18 0.05 0.59 2.35 1.06 0.00 0.00 176.91 180.77 1nhn h TRP 43 N 0.07 1.06 -0.14 -0.22 2.91 -1.36 0.85 115.95 119.13 1nhn h TRP 43 Ca 0.83 0.03 -0.18 0.00 1.13 0.00 0.00 58.89 60.70 1nhn h TRP 43 Cb 2.32 -0.33 -0.00 0.00 -0.51 0.00 0.00 29.16 30.64 1nhn h TRP 43 CO -0.01 0.39 -0.67 -0.91 -1.03 0.00 0.00 178.44 176.22 1nhn h ASN 44 N 0.91 0.65 -0.59 2.65 2.35 -1.05 -2.98 115.58 117.51 1nhn h ASN 44 Ca 0.49 -0.39 -0.35 0.00 -0.55 0.00 0.00 56.30 55.49 1nhn h ASN 44 Cb 0.52 -0.19 -0.18 0.00 0.05 0.00 0.00 38.32 38.52 1nhn h ASN 44 CO -0.28 1.14 0.45 0.59 -1.65 0.00 0.00 177.43 177.68 1nhn n ASN 45 N -3.91 5.03 -0.74 5.81 3.02 -0.05 -4.89 115.26 119.53 1nhn n ASN 45 Ca -0.05 -3.08 0.00 0.00 -0.03 0.00 0.00 54.58 51.42 1nhn n ASN 45 Cb 0.68 -0.86 0.00 0.00 -0.61 0.00 0.00 39.78 38.98 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 -0.21 0.00 -1.27 3.41 5.66 0.09 -4.91 114.28 117.05 1nhn n THR 46 Ca 0.36 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 61.33 1nhn n THR 46 Cb 0.91 0.00 0.22 0.00 -1.55 0.00 0.00 70.33 69.91 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 4.17 -0.90 1.79 0.00 -1.26 -4.95 120.51 116.36 1nhn n ALA 47 Ca 0.00 -2.82 0.00 0.00 0.00 0.00 0.00 53.44 50.62 1nhn n ALA 47 Cb 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 -0.88 -0.21 0.00 0.00 0.00 -1.26 -3.81 120.51 114.35 1nhn n ALA 48 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1nhn n ALA 48 Cb 1.12 -0.17 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 -0.04 0.08 0.06 0.00 8.00 -1.26 -4.77 116.55 118.62 1nhn n ASP 49 Ca 0.00 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.63 1nhn n ASP 49 Cb 0.10 0.01 0.31 0.00 -0.02 0.00 0.00 41.12 41.53 1nhn n ASP 49 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1nhn n ASP 50 N -0.20 0.61 0.03 -2.24 8.00 -1.25 -3.67 116.55 117.82 1nhn n ASP 50 Ca 0.00 0.25 -0.22 0.00 0.71 0.00 0.00 54.79 55.53 1nhn n ASP 50 Cb 0.00 -0.19 -0.14 0.00 -0.02 0.00 0.00 41.12 40.77 1nhn n ASP 50 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1nhn h LYS 51 N 0.00 0.28 -0.44 -1.24 1.57 -1.89 -3.39 116.57 111.46 1nhn h LYS 51 Ca 0.00 -0.48 0.06 0.00 -1.87 0.00 0.00 60.65 58.36 1nhn h LYS 51 Cb 0.67 0.18 -0.07 0.00 0.08 0.00 0.00 32.23 33.09 1nhn h LYS 51 CO 0.00 1.23 -0.19 1.04 -0.57 0.00 0.00 179.45 180.95 1nhn n GLN 52 N -3.89 -0.13 0.17 3.15 3.00 -1.24 0.03 117.38 118.47 1nhn n GLN 52 Ca -0.23 0.67 -0.10 0.00 -0.01 0.00 0.00 57.00 57.33 1nhn n GLN 52 Cb 0.92 -1.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.11 1nhn n GLN 52 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 1nhn h PRO 53 N 0.00 -0.53 -0.99 -1.09 0.13 -1.78 -1.57 132.00 126.17 1nhn h PRO 53 Ca 0.13 0.04 0.21 0.00 -0.87 0.00 0.00 66.00 65.51 1nhn h PRO 53 Cb 0.24 0.12 -0.19 0.00 0.13 0.00 0.00 31.00 31.31 1nhn h PRO 53 CO -0.43 -0.35 -0.20 1.88 -0.23 0.00 0.00 178.00 178.66 1nhn h TYR 54 N -0.55 -0.45 0.26 1.56 0.05 -0.59 -1.51 116.97 115.74 1nhn h TYR 54 Ca -0.04 0.09 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 1nhn h TYR 54 Cb 0.46 0.35 -0.00 0.00 1.01 0.00 0.00 36.73 38.56 1nhn h TYR 54 CO -0.11 -0.43 -0.17 0.93 -1.05 0.00 0.00 178.16 177.33 1nhn h GLU 55 N 0.00 -0.38 -1.09 4.88 4.39 -0.46 -0.16 114.58 121.76 1nhn h GLU 55 Ca 0.49 0.03 0.32 0.00 0.34 0.00 0.00 59.36 60.54 1nhn h GLU 55 Cb 0.80 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.50 1nhn h GLU 55 CO -1.00 -0.26 0.87 0.87 -1.16 0.00 0.00 179.01 178.33 1nhn h LYS 56 N -0.40 0.00 0.05 2.33 1.57 -0.31 0.19 116.57 120.00 1nhn h LYS 56 Ca -0.03 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1nhn h LYS 56 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1nhn h LYS 56 CO 0.03 0.00 -0.02 -0.22 -0.57 0.00 0.00 179.45 178.66 1nhn h LYS 57 N 0.00 -0.06 -0.75 3.15 3.64 -0.85 -2.64 116.57 119.06 1nhn h LYS 57 Ca 0.52 0.00 0.16 0.00 -1.27 0.00 0.00 60.65 60.07 1nhn h LYS 57 Cb 2.25 0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 33.98 1nhn h LYS 57 CO -0.01 -0.04 0.19 0.00 -2.27 0.00 0.00 179.45 177.33 1nhn h ALA 58 N -1.75 0.98 -0.80 5.00 0.00 -0.42 0.02 119.26 122.30 1nhn h ALA 58 Ca -0.01 0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.15 1nhn h ALA 58 Cb 0.05 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 1nhn h ALA 58 CO 0.01 -0.34 0.47 0.00 0.00 0.00 0.00 179.25 179.40 1nhn h ALA 59 N 1.62 1.12 -0.09 0.00 0.00 -0.79 -0.38 119.26 120.74 1nhn h ALA 59 Ca 0.42 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.27 1nhn h ALA 59 Cb 0.73 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1nhn h ALA 59 CO -0.51 0.15 -0.27 -0.22 0.00 0.00 0.00 179.25 178.40 1nhn h LYS 60 N 0.83 0.35 -0.68 0.00 3.64 -0.68 -2.16 116.57 117.87 1nhn h LYS 60 Ca 0.37 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1nhn h LYS 60 Cb 0.26 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 1nhn h LYS 60 CO -0.21 0.87 0.34 -0.07 -2.27 0.00 0.00 179.45 178.11 1nhn h LEU 61 N -0.12 0.88 -0.46 5.20 3.38 -0.68 -1.20 115.31 122.31 1nhn h LEU 61 Ca -0.01 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.71 1nhn h LEU 61 Cb 0.89 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1nhn h LEU 61 CO 0.06 0.75 -0.24 0.07 0.09 0.00 0.00 178.44 179.17 1nhn h LYS 62 N 0.94 0.97 0.24 1.13 2.10 -1.14 -2.61 116.57 118.20 1nhn h LYS 62 Ca 0.24 -0.43 0.00 0.00 -2.00 0.00 0.00 60.65 58.46 1nhn h LYS 62 Cb 0.10 -0.02 -0.04 0.00 -0.90 0.00 0.00 32.23 31.37 1nhn h LYS 62 CO -0.03 1.10 -0.50 1.49 -2.00 0.00 0.00 179.45 179.51 1nhn h GLU 63 N 0.81 -0.77 -0.78 0.07 4.81 -1.07 0.11 114.58 117.75 1nhn h GLU 63 Ca 0.10 0.05 0.15 0.00 -0.13 0.00 0.00 59.36 59.53 1nhn h GLU 63 Cb 0.82 0.18 -0.15 0.00 0.63 0.00 0.00 28.75 30.23 1nhn h GLU 63 CO 0.07 -0.52 -0.24 -0.22 -0.73 0.00 0.00 179.01 177.38 1nhn h LYS 64 N -0.80 -0.03 0.15 1.92 3.11 -1.16 -2.50 116.57 117.26 1nhn h LYS 64 Ca -0.02 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.81 1nhn h LYS 64 Cb 0.76 0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.99 1nhn h LYS 64 CO -0.20 -0.02 -0.13 -0.92 -2.81 0.00 0.00 179.45 175.37 1nhn h TYR 65 N -0.03 -0.36 -1.29 1.91 3.20 -0.94 -1.23 116.97 118.23 1nhn h TYR 65 Ca 0.36 0.00 0.44 0.00 3.14 0.00 0.00 58.73 62.67 1nhn h TYR 65 Cb 0.58 0.14 -0.13 0.00 1.54 0.00 0.00 36.73 38.86 1nhn h TYR 65 CO -0.65 -0.18 0.83 0.39 -1.64 0.00 0.00 178.16 176.91 1nhn n GLU 66 N -3.08 -0.03 0.01 1.82 1.02 0.29 0.44 120.64 121.11 1nhn n GLU 66 Ca -0.03 1.15 -0.11 0.00 -0.02 0.00 0.00 57.16 58.15 1nhn n GLU 66 Cb 0.12 -2.27 -0.08 0.00 -0.02 0.00 0.00 31.44 29.19 1nhn n GLU 66 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1nhn h LYS 67 N 0.00 -0.12 -0.93 3.49 6.56 -1.21 -2.48 116.57 121.88 1nhn h LYS 67 Ca 0.81 0.01 0.24 0.00 -1.06 0.00 0.00 60.65 60.66 1nhn h LYS 67 Cb 2.64 0.03 -0.06 0.00 -0.57 0.00 0.00 32.23 34.27 1nhn h LYS 67 CO -0.42 0.39 0.64 0.22 -2.06 0.00 0.00 179.45 178.23 1nhn h ASP 68 N -0.86 0.20 0.03 0.86 3.58 0.12 0.16 116.42 120.51 1nhn h ASP 68 Ca -0.01 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.46 1nhn h ASP 68 Cb 0.57 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.61 1nhn h ASP 68 CO 0.02 0.07 -0.01 -0.29 -2.88 0.00 0.00 179.24 176.15 1nhn h ILE 69 N 0.20 1.29 -0.61 2.25 -0.00 -0.88 -1.74 117.51 118.02 1nhn h ILE 69 Ca 0.47 -1.00 0.16 0.00 -0.00 0.00 0.00 64.86 64.48 1nhn h ILE 69 Cb 1.52 1.96 -0.03 0.00 -0.00 0.00 0.00 36.82 40.27 1nhn h ILE 69 CO -0.11 0.26 0.43 0.00 -0.00 0.00 0.00 178.15 178.73 1nhn h ALA 70 N 0.48 2.40 0.00 0.18 0.00 -0.30 0.20 119.26 122.22 1nhn h ALA 70 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1nhn h ALA 70 Cb 0.45 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1nhn h ALA 70 CO 0.01 -0.57 -0.09 0.00 0.00 0.00 0.00 179.25 178.60 1nhn h ALA 71 N 1.70 0.95 0.09 0.00 0.00 -0.63 -2.67 119.26 118.71 1nhn h ALA 71 Ca 0.29 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.91 1nhn h ALA 71 Cb 0.98 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1nhn h ALA 71 CO -0.04 0.00 -1.57 -0.92 0.00 0.00 0.00 179.25 176.72 1nhn h TYR 72 N 0.00 0.36 0.00 0.00 3.20 0.23 -3.35 116.97 117.41 1nhn h TYR 72 Ca 0.00 -0.26 -0.07 0.00 3.14 0.00 0.00 58.73 61.53 1nhn h TYR 72 Cb 0.93 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.17 1nhn h TYR 72 CO 0.00 1.62 -0.35 0.00 -1.64 0.00 0.00 178.16 177.79 1nhn h ARG 73 N -0.33 0.00 -0.83 1.82 3.08 -1.25 -3.22 114.38 113.65 1nhn h ARG 73 Ca -0.35 0.00 0.25 0.00 0.07 0.00 0.00 59.98 59.95 1nhn h ARG 73 Cb 1.75 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.65 1nhn h ARG 73 CO 0.01 0.35 0.09 0.00 -1.07 0.00 0.00 179.97 179.35 1nhn n ALA 74 N -2.39 0.50 0.00 0.04 0.00 -1.00 -3.74 120.51 113.91 1nhn n ALA 74 Ca -0.01 0.88 0.00 0.00 0.00 0.00 0.00 53.44 54.31 1nhn n ALA 74 Cb 0.42 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.19 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 -5.13 0.00 0.00 0.00 2.85 -1.22 -3.87 118.16 110.79 1nhn n LYS 75 Ca 0.22 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.48 1nhn n LYS 75 Cb 0.71 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.09 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 -0.48 -1.17 0.24 2.58 0.00 -1.25 -4.99 105.19 100.13 1nhn n GLY 76 Ca 0.00 0.39 0.02 0.00 0.00 0.00 0.00 46.02 46.43 1nhn n GLY 76 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1nhn h LYS 77 N 0.00 0.28 -0.45 1.61 3.64 -1.73 0.19 116.57 120.10 1nhn h LYS 77 Ca 0.00 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 1nhn h LYS 77 Cb 0.00 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1nhn h LYS 77 CO 0.00 0.18 -0.08 -1.35 -2.27 0.00 0.00 179.45 175.93 1nhn h PRO 78 N 0.28 0.79 -5.86 1.90 0.11 -1.96 -3.47 132.00 123.79 1nhn h PRO 78 Ca 0.35 -0.25 -0.37 0.00 0.11 0.00 0.00 66.00 65.84 1nhn h PRO 78 Cb 0.53 -0.07 0.12 0.00 0.11 0.00 0.00 31.00 31.68 1nhn h PRO 78 CO -0.42 0.85 -0.82 -3.47 -0.21 0.00 0.00 178.00 173.92 1nhn n ASP 79 N -4.18 -2.39 -3.51 -2.05 -0.08 0.66 -4.97 116.55 100.04 1nhn n ASP 79 Ca 0.02 -0.74 -0.27 0.00 -1.51 0.00 0.00 54.79 52.29 1nhn n ASP 79 Cb 0.35 -4.56 -0.10 0.00 2.34 0.00 0.00 41.12 39.16 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 -4.09 3.17 0.00 -1.67 0.00 -1.26 -5.15 120.51 111.51 1nhn n ALA 80 Ca -0.26 -3.90 0.00 0.00 0.00 0.00 0.00 53.44 49.28 1nhn n ALA 80 Cb 0.66 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.24 1nhn n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50