#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 -0.60 -0.54 5.41 0.00 -1.26 -4.73 120.51 118.79 1nhn n ALA 4 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 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 -0.08 0.00 -3.74 0.00 -0.02 -1.26 -5.00 135.00 124.90 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 -0.54 -0.12 0.00 -0.02 0.00 0.00 33.50 32.82 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 -1.07 1.75 0.00 -0.52 1.02 -1.26 -5.06 119.74 114.60 1nhn s LYS 6 Ca 0.21 -2.64 0.00 0.00 0.02 0.00 0.00 55.97 53.57 1nhn s LYS 6 Cb -0.09 -2.68 0.00 0.00 -0.52 0.00 0.00 37.83 34.54 1nhn s LYS 6 CO 0.44 -1.26 0.00 2.89 -0.92 0.00 0.00 175.35 176.51 1nhn n ARG 7 N 2.71 0.00 -0.64 1.68 1.85 -1.26 -4.77 116.66 116.23 1nhn n ARG 7 Ca 0.17 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.74 1nhn n ARG 7 Cb 0.37 0.00 0.25 0.00 -1.05 0.00 0.00 32.46 32.03 1nhn n ARG 7 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 1nhn s PRO 8 N 0.00 -1.17 -0.17 2.89 0.02 -1.26 -4.87 135.00 130.44 1nhn s PRO 8 Ca 0.00 0.59 -0.36 0.00 0.02 0.00 0.00 61.00 61.25 1nhn s PRO 8 Cb 0.00 -1.54 -0.13 0.00 0.02 0.00 0.00 34.50 32.85 1nhn s PRO 8 CO 0.00 -3.82 1.88 -2.30 -0.33 0.00 0.00 177.00 172.43 1nhn n PRO 9 N -4.95 1.79 -3.66 5.54 -0.02 -1.26 -4.96 135.00 127.47 1nhn n PRO 9 Ca 0.05 0.64 -0.08 0.00 -2.02 0.00 0.00 63.50 62.09 1nhn n PRO 9 Cb 0.56 -2.49 -0.09 0.00 -0.02 0.00 0.00 33.50 31.46 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 4.34 -0.28 0.00 2.55 0.15 -1.26 -4.67 113.70 114.52 1nhn s SER 10 Ca 0.96 1.01 0.00 0.00 0.70 0.00 0.00 55.95 58.62 1nhn s SER 10 Cb -0.81 1.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 1nhn s SER 10 CO 0.55 -0.23 0.00 0.00 1.20 0.00 0.00 173.24 174.76 1nhn n ALA 11 N 5.38 0.00 0.12 5.45 0.00 -1.26 -4.22 120.51 125.98 1nhn n ALA 11 Ca -0.09 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.13 1nhn n ALA 11 Cb 0.49 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.79 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 0.79 -0.64 0.00 3.57 -1.95 -3.35 116.94 115.35 1nhn h PHE 12 Ca 0.00 -0.57 0.06 0.00 3.53 0.00 0.00 57.97 60.98 1nhn h PHE 12 Cb 0.00 -0.03 -0.08 0.00 2.79 0.00 0.00 35.95 38.63 1nhn h PHE 12 CO 0.00 1.51 -0.38 0.34 -2.23 0.00 0.00 178.31 177.55 1nhn n PHE 13 N -3.63 -0.28 -0.32 0.41 7.35 -1.26 -0.76 117.46 118.96 1nhn n PHE 13 Ca -0.16 0.81 -0.10 0.00 -0.76 0.00 0.00 57.45 57.23 1nhn n PHE 13 Cb 1.08 -0.55 -0.09 0.00 0.35 0.00 0.00 39.48 40.27 1nhn n PHE 13 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1nhn h LEU 14 N 0.00 -1.84 -0.72 -2.13 -0.00 -1.89 0.25 115.31 108.98 1nhn h LEU 14 Ca 0.10 0.27 0.14 0.00 -0.00 0.00 0.00 57.88 58.40 1nhn h LEU 14 Cb 0.26 0.80 -0.10 0.00 -0.00 0.00 0.00 40.66 41.63 1nhn h LEU 14 CO -0.61 -0.23 0.25 0.15 -0.00 0.00 0.00 178.44 178.00 1nhn h PHE 15 N -0.06 0.41 0.00 1.13 3.57 -1.50 0.88 116.94 121.36 1nhn h PHE 15 Ca 0.13 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1nhn h PHE 15 Cb 0.39 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 1nhn h PHE 15 CO -0.96 0.01 -0.12 0.00 -2.23 0.00 0.00 178.31 175.01 1nhn h SER 17 N 0.00 -0.02 -0.76 0.00 0.87 0.83 0.24 113.55 114.71 1nhn h SER 17 Ca -0.00 -0.71 0.21 0.00 -1.23 0.00 0.00 61.79 60.06 1nhn h SER 17 Cb 0.28 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.21 1nhn h SER 17 CO 0.02 0.80 0.54 -0.33 -0.53 0.00 0.00 176.83 177.33 1nhn h GLU 18 N -0.94 0.04 0.00 2.24 4.39 -1.11 -3.20 114.58 116.00 1nhn h GLU 18 Ca -0.00 -0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.53 1nhn h GLU 18 Cb 0.73 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.35 1nhn h GLU 18 CO 0.00 0.02 -1.61 0.66 -1.16 0.00 0.00 179.01 176.93 1nhn n TYR 19 N -4.33 0.00 -0.28 4.33 4.02 -0.84 -4.78 117.16 115.28 1nhn n TYR 19 Ca 0.15 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.97 1nhn n TYR 19 Cb 0.81 -0.43 -0.07 0.00 -0.02 0.00 0.00 39.34 39.63 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 -2.51 -0.30 0.00 -0.72 1.74 0.83 -0.33 116.66 115.37 1nhn n ARG 20 Ca -0.16 1.02 0.10 0.00 -0.77 0.00 0.00 57.85 58.03 1nhn n ARG 20 Cb 0.76 -1.50 0.57 0.00 -1.02 0.00 0.00 32.46 31.27 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 -4.84 0.63 -0.12 5.56 -0.04 -1.26 -0.46 135.00 134.47 1nhn n PRO 21 Ca 0.01 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.23 1nhn n PRO 21 Cb 0.18 -1.48 -0.11 0.00 -0.04 0.00 0.00 33.50 32.05 1nhn n PRO 21 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1nhn n LYS 22 N -0.98 0.57 0.01 0.54 4.76 0.55 -2.02 118.16 121.59 1nhn n LYS 22 Ca 0.14 0.46 -0.11 0.00 -2.87 0.00 0.00 58.31 55.93 1nhn n LYS 22 Cb 0.07 -1.65 -0.09 0.00 -1.84 0.00 0.00 35.03 31.51 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 -0.99 1.10 -0.96 -0.18 3.07 -1.50 -2.90 117.51 115.16 1nhn h ILE 23 Ca -0.48 -1.40 0.10 0.00 1.55 0.00 0.00 64.86 64.63 1nhn h ILE 23 Cb 1.42 1.91 -0.07 0.00 -0.27 0.00 0.00 36.82 39.81 1nhn h ILE 23 CO -0.29 0.31 0.61 0.50 -1.05 0.00 0.00 178.15 178.23 1nhn h LYS 24 N -0.84 0.95 -0.95 0.16 3.64 -0.97 0.50 116.57 119.06 1nhn h LYS 24 Ca -0.01 -0.06 0.23 0.00 -1.27 0.00 0.00 60.65 59.54 1nhn h LYS 24 Cb 0.59 -0.21 -0.18 0.00 -0.41 0.00 0.00 32.23 32.02 1nhn h LYS 24 CO 0.02 0.63 -0.07 0.78 -2.27 0.00 0.00 179.45 178.54 1nhn h GLY 25 N 0.98 1.00 0.27 5.01 0.00 -1.22 0.18 103.07 109.29 1nhn h GLY 25 Ca 0.45 0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.99 1nhn h GLY 25 CO -0.21 -0.44 -1.35 -1.84 0.00 0.00 0.00 176.54 172.70 1nhn n GLU 26 N -5.52 0.37 -2.82 4.80 0.28 -0.51 -4.50 120.64 112.74 1nhn n GLU 26 Ca 0.19 -0.06 -0.34 0.00 -0.16 0.00 0.00 57.16 56.79 1nhn n GLU 26 Cb 0.63 -1.56 -0.01 0.00 1.43 0.00 0.00 31.44 31.93 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 -2.00 3.37 0.03 -1.84 8.25 0.16 -4.84 115.22 118.35 1nhn n HIS 27 Ca 0.00 -3.27 0.00 0.00 -0.26 0.00 0.00 57.72 54.19 1nhn n HIS 27 Cb 0.46 -0.86 0.00 0.00 1.12 0.00 0.00 29.99 30.72 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 -0.06 0.94 0.00 -0.41 -0.04 -0.73 -2.20 135.00 132.49 1nhn n PRO 28 Ca 0.38 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 1nhn n PRO 28 Cb 0.33 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 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 1.18 0.59 4.02 0.55 0.00 -1.26 -5.08 105.19 105.19 1nhn n GLY 29 Ca 0.00 0.00 -0.19 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 -1.40 3.29 0.00 0.99 1.43 -0.94 -5.13 118.68 116.93 1nhn s LEU 30 Ca 0.00 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.44 1nhn s LEU 30 Cb 0.00 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.19 1nhn s LEU 30 CO 0.00 -1.16 0.00 -1.20 0.23 0.00 0.00 176.35 174.22 1nhn n SER 31 N -2.14 1.47 -1.86 2.29 7.64 -1.26 -4.98 113.62 114.78 1nhn n SER 31 Ca 0.13 -0.88 -0.14 0.00 1.01 0.00 0.00 58.87 58.99 1nhn n SER 31 Cb 0.61 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 63.97 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 0.00 2.56 -0.01 0.44 3.06 -1.26 -1.94 119.36 122.22 1nhn n ILE 32 Ca 0.00 -1.38 -0.01 0.00 -2.50 0.00 0.00 62.75 58.86 1nhn n ILE 32 Cb 0.00 -0.55 -0.01 0.00 0.54 0.00 0.00 39.64 39.61 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 -0.53 -0.05 0.16 4.50 0.00 -1.26 -4.37 105.19 103.63 1nhn n GLY 33 Ca 0.41 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.41 1.93 -0.05 1.61 2.03 -1.18 -2.49 116.55 115.99 1nhn n ASP 34 Ca -0.04 0.30 0.14 0.00 0.52 0.00 0.00 54.79 55.71 1nhn n ASP 34 Cb 0.55 -0.77 0.56 0.00 -0.72 0.00 0.00 41.12 40.74 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 -0.91 0.85 -0.35 5.18 2.07 -1.71 0.35 116.25 121.74 1nhn h VAL 35 Ca -0.69 -0.10 -0.15 0.00 0.82 0.00 0.00 66.70 66.58 1nhn h VAL 35 Cb 1.63 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1nhn h VAL 35 CO -0.40 0.05 -0.38 0.00 0.02 0.00 0.00 177.57 176.87 1nhn h ALA 36 N 1.72 0.52 -0.30 1.67 0.00 -1.74 -0.41 119.26 120.73 1nhn h ALA 36 Ca 0.26 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1nhn h ALA 36 Cb 0.65 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1nhn h ALA 36 CO -0.06 0.62 0.03 -0.22 0.00 0.00 0.00 179.25 179.62 1nhn h LYS 37 N 0.68 0.50 0.42 0.00 3.11 -0.12 0.57 116.57 121.73 1nhn h LYS 37 Ca 0.05 -0.14 -0.02 0.00 -2.81 0.00 0.00 60.65 57.73 1nhn h LYS 37 Cb 0.97 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.15 1nhn h LYS 37 CO 0.09 0.62 -0.20 0.87 -2.81 0.00 0.00 179.45 178.02 1nhn h LYS 38 N 0.31 -0.54 -0.77 1.90 6.56 -0.76 -1.24 116.57 122.02 1nhn h LYS 38 Ca 0.09 0.04 0.06 0.00 -1.06 0.00 0.00 60.65 59.77 1nhn h LYS 38 Cb 0.37 0.12 -0.06 0.00 -0.57 0.00 0.00 32.23 32.10 1nhn h LYS 38 CO 0.01 -0.25 0.46 -0.07 -2.06 0.00 0.00 179.45 177.55 1nhn h LEU 39 N -0.81 0.72 -1.52 2.94 3.38 -1.09 0.10 115.31 119.03 1nhn h LEU 39 Ca -0.06 0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1nhn h LEU 39 Cb 0.54 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1nhn h LEU 39 CO 0.09 0.47 0.53 1.23 0.09 0.00 0.00 178.44 180.85 1nhn h GLY 40 N 0.86 0.00 0.00 0.83 0.00 0.59 0.31 103.07 105.65 1nhn h GLY 40 Ca 0.34 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.30 1nhn h GLY 40 CO -0.17 0.00 -2.21 1.18 0.00 0.00 0.00 176.54 175.34 1nhn n GLU 41 N -2.93 0.57 -0.25 4.80 -0.58 0.17 -4.55 120.64 117.88 1nhn n GLU 41 Ca 0.01 0.25 0.16 0.00 -0.42 0.00 0.00 57.16 57.15 1nhn n GLU 41 Cb 0.60 -1.47 0.45 0.00 -0.57 0.00 0.00 31.44 30.45 1nhn n GLU 41 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 1nhn h MET 42 N -0.99 0.51 -0.65 3.49 2.86 0.13 -2.63 114.93 117.65 1nhn h MET 42 Ca -0.55 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 56.97 1nhn h MET 42 Cb 1.48 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 33.00 1nhn h MET 42 CO -0.33 0.34 0.06 2.35 1.06 0.00 0.00 176.91 180.39 1nhn h TRP 43 N 0.53 1.19 0.00 -0.22 2.91 -1.23 -1.86 115.95 117.26 1nhn h TRP 43 Ca 0.46 -0.18 0.00 0.00 1.13 0.00 0.00 58.89 60.29 1nhn h TRP 43 Cb 0.96 -0.32 0.00 0.00 -0.51 0.00 0.00 29.16 29.29 1nhn h TRP 43 CO -0.00 1.02 0.00 0.27 -1.03 0.00 0.00 178.44 178.69 1nhn n ASN 44 N -4.19 0.00 -1.49 2.65 0.23 -1.00 -2.47 115.26 108.98 1nhn n ASN 44 Ca 0.04 -0.38 0.06 0.00 -0.53 0.00 0.00 54.58 53.77 1nhn n ASN 44 Cb 0.32 -0.19 0.33 0.00 -2.08 0.00 0.00 39.78 38.17 1nhn n ASN 44 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1nhn n ASN 45 N -1.19 4.84 -2.07 0.53 3.02 -0.71 -4.95 115.26 114.75 1nhn n ASN 45 Ca 0.16 -3.03 0.00 0.00 -0.03 0.00 0.00 54.58 51.68 1nhn n ASN 45 Cb 0.17 -0.64 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 0.04 0.00 -1.25 3.41 5.66 -1.03 -4.98 114.28 116.13 1nhn n THR 46 Ca 0.27 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 61.23 1nhn n THR 46 Cb 1.10 -0.26 0.23 0.00 -1.55 0.00 0.00 70.33 69.84 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 4.20 -0.73 1.79 0.00 -1.26 -4.94 120.51 116.57 1nhn n ALA 47 Ca 0.00 -2.79 0.00 0.00 0.00 0.00 0.00 53.44 50.65 1nhn n ALA 47 Cb 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.84 -0.13 0.00 0.00 0.00 -1.26 -3.68 120.51 114.60 1nhn n ALA 48 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1nhn n ALA 48 Cb 1.14 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 20.45 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 0.13 1.59 -0.68 0.00 2.03 -1.26 -4.73 116.55 113.63 1nhn n ASP 49 Ca 0.00 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.35 1nhn n ASP 49 Cb 0.07 0.15 0.14 0.00 -0.72 0.00 0.00 41.12 40.76 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 -1.02 1.92 -0.08 1.67 9.92 -1.24 -3.26 116.55 124.47 1nhn n ASP 50 Ca 0.00 -2.10 -0.11 0.00 -0.53 0.00 0.00 54.79 52.04 1nhn n ASP 50 Cb 0.16 -0.30 -0.15 0.00 -0.64 0.00 0.00 41.12 40.19 1nhn n ASP 50 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1nhn n LYS 51 N 0.32 0.68 -0.35 -1.24 5.02 -1.26 -4.45 118.16 116.88 1nhn n LYS 51 Ca 0.10 0.10 0.29 0.00 -2.02 0.00 0.00 58.31 56.78 1nhn n LYS 51 Cb 0.35 -1.59 0.55 0.00 -0.02 0.00 0.00 35.03 34.32 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 0.15 0.39 1.97 1.08 -1.89 0.30 115.11 117.11 1nhn h GLN 52 Ca -0.49 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 56.69 1nhn h GLN 52 Cb 2.13 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 29.53 1nhn h GLN 52 CO 0.03 0.10 -0.27 -1.35 -0.95 0.00 0.00 178.83 176.39 1nhn h PRO 53 N 0.16 -0.60 -0.94 1.46 0.11 -1.83 -2.77 132.00 127.59 1nhn h PRO 53 Ca 0.79 0.04 0.14 0.00 0.11 0.00 0.00 66.00 67.08 1nhn h PRO 53 Cb 2.06 0.14 -0.15 0.00 0.11 0.00 0.00 31.00 33.16 1nhn h PRO 53 CO -0.63 -0.40 -0.41 1.88 -0.21 0.00 0.00 178.00 178.22 1nhn h TYR 54 N -0.62 -1.20 -0.12 0.65 -1.99 -1.09 -1.88 116.97 110.73 1nhn h TYR 54 Ca -0.05 0.11 0.01 0.00 2.00 0.00 0.00 58.73 60.80 1nhn h TYR 54 Cb 0.51 0.66 -0.02 0.00 2.00 0.00 0.00 36.73 39.88 1nhn h TYR 54 CO -0.05 -0.40 -0.12 0.93 -0.00 0.00 0.00 178.16 178.53 1nhn h GLU 55 N -0.03 -0.06 -1.93 4.88 4.39 -0.50 0.22 114.58 121.56 1nhn h GLU 55 Ca 0.31 0.00 0.56 0.00 0.34 0.00 0.00 59.36 60.57 1nhn h GLU 55 Cb 0.57 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.15 1nhn h GLU 55 CO -0.94 -0.04 1.38 0.87 -1.16 0.00 0.00 179.01 179.12 1nhn h LYS 56 N -0.06 0.00 0.00 2.33 1.57 -1.04 0.54 116.57 119.91 1nhn h LYS 56 Ca 0.02 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1nhn h LYS 56 Cb 0.11 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1nhn h LYS 56 CO -0.14 0.00 -0.50 -0.22 -0.57 0.00 0.00 179.45 178.02 1nhn h LYS 57 N 0.00 0.00 -0.99 3.15 3.64 -1.07 -3.10 116.57 118.20 1nhn h LYS 57 Ca 0.92 0.00 0.36 0.00 -1.27 0.00 0.00 60.65 60.66 1nhn h LYS 57 Cb 3.69 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 35.34 1nhn h LYS 57 CO -0.03 0.14 0.47 0.00 -2.27 0.00 0.00 179.45 177.77 1nhn h ALA 58 N -0.91 1.93 0.74 5.00 0.00 0.95 0.52 119.26 127.48 1nhn h ALA 58 Ca -0.04 0.25 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1nhn h ALA 58 Cb 0.53 0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.63 1nhn h ALA 58 CO -0.03 -0.76 -0.36 0.00 0.00 0.00 0.00 179.25 178.11 1nhn h ALA 59 N 1.93 -0.99 -0.93 0.00 0.00 -0.14 -0.63 119.26 118.50 1nhn h ALA 59 Ca 0.76 -0.23 0.23 0.00 0.00 0.00 0.00 54.91 55.68 1nhn h ALA 59 Cb 1.87 0.38 -0.18 0.00 0.00 0.00 0.00 17.79 19.87 1nhn h ALA 59 CO -0.73 -1.00 -0.06 1.17 0.00 0.00 0.00 179.25 178.63 1nhn n LYS 60 N -5.48 -0.08 0.33 0.00 3.00 0.18 -0.04 118.16 116.07 1nhn n LYS 60 Ca -0.14 1.42 -0.13 0.00 -0.00 0.00 0.00 58.31 59.46 1nhn n LYS 60 Cb 0.41 -2.21 -0.06 0.00 0.00 0.00 0.00 35.03 33.17 1nhn n LYS 60 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1nhn h LEU 61 N 0.00 -0.74 -1.67 3.14 3.38 -1.15 -2.75 115.31 115.51 1nhn h LEU 61 Ca 0.53 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.55 1nhn h LEU 61 Cb 1.01 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 1nhn h LEU 61 CO -0.91 -0.41 0.26 0.11 0.09 0.00 0.00 178.44 177.59 1nhn h LYS 62 N -1.13 0.42 0.42 1.13 1.57 -0.32 -2.75 116.57 115.91 1nhn h LYS 62 Ca -0.09 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1nhn h LYS 62 Cb 0.67 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 1nhn h LYS 62 CO 0.15 0.28 -0.26 1.49 -0.57 0.00 0.00 179.45 180.54 1nhn h GLU 63 N 0.44 -0.61 -0.95 3.15 4.81 -0.51 -0.41 114.58 120.49 1nhn h GLU 63 Ca 0.16 0.04 0.19 0.00 -0.13 0.00 0.00 59.36 59.61 1nhn h GLU 63 Cb 0.08 0.14 -0.18 0.00 0.63 0.00 0.00 28.75 29.43 1nhn h GLU 63 CO -0.04 -0.41 -0.25 -0.22 -0.73 0.00 0.00 179.01 177.37 1nhn h LYS 64 N -0.64 -0.00 0.00 1.92 3.11 -1.20 -2.23 116.57 117.53 1nhn h LYS 64 Ca -0.06 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 1nhn h LYS 64 Cb 0.51 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.74 1nhn h LYS 64 CO 0.05 -0.00 0.00 0.98 -2.81 0.00 0.00 179.45 177.67 1nhn n TYR 65 N -5.59 0.00 -0.53 1.91 4.19 -1.03 -0.90 117.16 115.20 1nhn n TYR 65 Ca 0.14 0.00 0.43 0.00 3.31 0.00 0.00 57.90 61.79 1nhn n TYR 65 Cb 0.47 -0.40 0.72 0.00 0.49 0.00 0.00 39.34 40.62 1nhn n TYR 65 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 1nhn h GLU 66 N 0.00 0.01 0.00 2.98 5.08 -0.50 0.25 114.58 122.40 1nhn h GLU 66 Ca 0.00 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1nhn h GLU 66 Cb 0.00 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1nhn h GLU 66 CO 0.00 0.01 -0.00 0.87 -1.00 0.00 0.00 179.01 178.89 1nhn h LYS 67 N 0.01 0.00 0.00 2.33 6.56 -1.23 -2.89 116.57 121.35 1nhn h LYS 67 Ca 0.89 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 60.47 1nhn h LYS 67 Cb 3.06 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 34.72 1nhn h LYS 67 CO -0.34 0.77 -0.04 0.22 -2.06 0.00 0.00 179.45 178.00 1nhn h ASP 68 N -1.00 0.00 0.10 0.86 3.58 0.66 -1.51 116.42 119.11 1nhn h ASP 68 Ca -0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1nhn h ASP 68 Cb 0.77 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.82 1nhn h ASP 68 CO -0.00 0.04 -0.05 -0.29 -2.88 0.00 0.00 179.24 176.06 1nhn h ILE 69 N 0.00 1.12 -1.01 2.25 -0.00 -0.64 0.71 117.51 119.94 1nhn h ILE 69 Ca -0.00 -1.02 0.24 0.00 -0.00 0.00 0.00 64.86 64.08 1nhn h ILE 69 Cb 0.13 1.74 -0.10 0.00 -0.00 0.00 0.00 36.82 38.59 1nhn h ILE 69 CO 0.00 0.24 0.63 0.00 -0.00 0.00 0.00 178.15 179.03 1nhn h ALA 70 N 0.18 2.00 -0.24 0.18 0.00 -1.10 0.15 119.26 120.43 1nhn h ALA 70 Ca -0.01 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 1nhn h ALA 70 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1nhn h ALA 70 CO 0.02 -0.40 -0.53 0.00 0.00 0.00 0.00 179.25 178.35 1nhn h ALA 71 N 1.65 0.39 -1.00 0.00 0.00 -0.95 -2.44 119.26 116.91 1nhn h ALA 71 Ca 0.59 -0.51 0.14 0.00 0.00 0.00 0.00 54.91 55.13 1nhn h ALA 71 Cb 1.26 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.90 1nhn h ALA 71 CO -0.34 0.59 0.62 -0.92 0.00 0.00 0.00 179.25 179.19 1nhn h TYR 72 N 0.53 1.11 0.05 0.00 3.20 0.17 0.26 116.97 122.29 1nhn h TYR 72 Ca 0.00 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 1nhn h TYR 72 Cb 1.14 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 39.06 1nhn h TYR 72 CO 0.08 0.38 -0.03 -0.09 -1.64 0.00 0.00 178.16 176.87 1nhn h ARG 73 N 0.92 -0.07 -1.05 1.82 9.65 -1.30 -2.96 114.38 121.39 1nhn h ARG 73 Ca 0.52 0.00 0.30 0.00 -1.10 0.00 0.00 59.98 59.70 1nhn h ARG 73 Cb 0.60 0.02 -0.12 0.00 -1.39 0.00 0.00 29.97 29.08 1nhn h ARG 73 CO -0.30 0.35 0.64 0.00 2.80 0.00 0.00 179.97 183.46 1nhn h ALA 74 N 0.38 2.06 0.00 2.80 0.00 -0.70 -3.44 119.26 120.37 1nhn h ALA 74 Ca -0.01 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1nhn h ALA 74 Cb 0.46 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1nhn h ALA 74 CO 0.01 -0.58 0.00 1.17 0.00 0.00 0.00 179.25 179.85 1nhn n LYS 75 N -4.85 0.00 0.00 0.00 3.00 -0.05 -4.99 118.16 111.27 1nhn n LYS 75 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.60 1nhn n LYS 75 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.96 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 0.00 1.76 0.00 3.14 0.00 -0.80 -4.72 105.19 104.56 1nhn n GLY 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1nhn n GLY 76 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nhn n LYS 77 N 0.00 0.00 -0.17 1.61 5.02 -1.26 -4.81 118.16 118.55 1nhn n LYS 77 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 1nhn n LYS 77 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.02 1nhn n LYS 77 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1nhn h PRO 78 N 0.00 0.76 -2.23 1.97 0.11 -2.01 -3.36 132.00 127.24 1nhn h PRO 78 Ca 0.00 -0.16 -0.57 0.00 0.11 0.00 0.00 66.00 65.38 1nhn h PRO 78 Cb 0.00 -0.11 -0.42 0.00 0.11 0.00 0.00 31.00 30.58 1nhn h PRO 78 CO 0.00 0.71 -0.74 -0.40 -0.21 0.00 0.00 178.00 177.36 1nhn n ASP 79 N -4.52 3.77 0.00 -2.05 5.75 -1.26 -5.06 116.55 113.18 1nhn n ASP 79 Ca 0.01 -3.55 0.00 0.00 -0.01 0.00 0.00 54.79 51.25 1nhn n ASP 79 Cb 0.19 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 39.70 1nhn n ASP 79 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1nhn n ALA 80 N -0.08 0.00 -0.16 2.12 0.00 -1.26 -5.27 120.51 115.85 1nhn n ALA 80 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1nhn n ALA 80 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1nhn n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50