#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 -0.32 -0.92 -2.53 0.00 -1.26 -4.73 120.51 110.74 1nhn n ALA 4 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1nhn n ALA 4 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 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 -0.25 -0.12 -3.75 0.00 -0.02 -1.26 -5.00 135.00 124.60 1nhn n PRO 5 Ca 0.00 -0.01 -0.30 0.00 -2.02 0.00 0.00 63.50 61.17 1nhn n PRO 5 Cb 0.00 -1.40 -0.13 0.00 -0.02 0.00 0.00 33.50 31.95 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 -2.72 1.29 0.00 -0.52 -2.85 -1.26 -5.00 119.74 108.68 1nhn s LYS 6 Ca 0.48 -1.94 0.00 0.00 -1.00 0.00 0.00 55.97 53.51 1nhn s LYS 6 Cb -0.20 -2.43 0.00 0.00 -2.06 0.00 0.00 37.83 33.13 1nhn s LYS 6 CO 0.75 -1.12 0.00 2.89 0.10 0.00 0.00 175.35 177.97 1nhn n ARG 7 N 3.70 0.00 -0.28 1.78 1.85 -1.26 -4.80 116.66 117.65 1nhn n ARG 7 Ca 0.07 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.62 1nhn n ARG 7 Cb 0.35 0.00 0.28 0.00 -1.05 0.00 0.00 32.46 32.05 1nhn n ARG 7 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1nhn n PRO 8 N -0.24 -4.42 -1.59 2.89 -0.02 -1.26 -4.83 135.00 125.53 1nhn n PRO 8 Ca 0.00 -1.31 -0.54 0.00 -2.02 0.00 0.00 63.50 59.63 1nhn n PRO 8 Cb 0.00 -1.92 -0.07 0.00 -0.02 0.00 0.00 33.50 31.49 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 -5.40 1.16 -3.67 0.52 -0.02 -1.26 -4.95 135.00 121.38 1nhn n PRO 9 Ca 0.12 0.39 -0.09 0.00 -2.02 0.00 0.00 63.50 61.90 1nhn n PRO 9 Cb 0.58 -2.24 -0.09 0.00 -0.02 0.00 0.00 33.50 31.72 1nhn n PRO 9 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1nhn s SER 10 N 5.06 -0.72 0.00 2.55 1.04 -1.26 -4.62 113.70 115.75 1nhn s SER 10 Ca 1.03 1.19 0.00 0.00 0.48 0.00 0.00 55.95 58.65 1nhn s SER 10 Cb -0.99 1.08 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1nhn s SER 10 CO 0.59 -0.22 0.00 0.00 0.98 0.00 0.00 173.24 174.59 1nhn n ALA 11 N 4.32 0.00 0.12 5.32 0.00 -1.26 -4.21 120.51 124.81 1nhn n ALA 11 Ca -0.21 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.24 1nhn n ALA 11 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 0.58 0.00 3.57 -1.95 -3.26 116.94 115.88 1nhn h PHE 12 Ca 0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1nhn h PHE 12 Cb 0.00 0.00 0.01 0.00 2.79 0.00 0.00 35.95 38.75 1nhn h PHE 12 CO 0.00 0.54 -0.28 0.35 -2.23 0.00 0.00 178.31 176.69 1nhn h PHE 13 N 0.00 -0.72 -0.57 0.41 3.57 -1.82 0.40 116.94 118.20 1nhn h PHE 13 Ca -0.02 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.55 1nhn h PHE 13 Cb 1.43 0.24 -0.11 0.00 2.79 0.00 0.00 35.95 40.30 1nhn h PHE 13 CO 0.00 -0.41 -0.42 -0.07 -2.23 0.00 0.00 178.31 175.18 1nhn h LEU 14 N -0.91 -1.45 -0.81 0.59 -0.00 -1.87 0.68 115.31 111.53 1nhn h LEU 14 Ca -0.08 0.24 0.12 0.00 -0.00 0.00 0.00 57.88 58.16 1nhn h LEU 14 Cb 0.64 0.66 -0.08 0.00 -0.00 0.00 0.00 40.66 41.88 1nhn h LEU 14 CO 0.13 -0.33 0.43 0.15 -0.00 0.00 0.00 178.44 178.82 1nhn h PHE 15 N -0.22 0.76 0.00 1.13 3.57 -1.58 -0.87 116.94 119.73 1nhn h PHE 15 Ca 0.19 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.72 1nhn h PHE 15 Cb 0.56 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.09 1nhn h PHE 15 CO -0.70 0.24 0.00 0.00 -2.23 0.00 0.00 178.31 175.62 1nhn n SER 17 N -1.35 2.20 0.16 0.00 3.41 -0.35 -2.01 113.62 115.67 1nhn n SER 17 Ca 0.04 -0.11 0.06 0.00 -0.26 0.00 0.00 58.87 58.59 1nhn n SER 17 Cb 0.09 -0.37 0.53 0.00 -0.26 0.00 0.00 64.21 64.20 1nhn n SER 17 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1nhn h GLU 18 N -0.02 0.20 0.00 4.33 4.39 -1.39 -3.30 114.58 118.79 1nhn h GLU 18 Ca -0.52 -0.02 -0.22 0.00 0.34 0.00 0.00 59.36 58.94 1nhn h GLU 18 Cb 1.79 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 30.36 1nhn h GLU 18 CO -0.09 0.18 -1.84 0.66 -1.16 0.00 0.00 179.01 176.76 1nhn n TYR 19 N -4.47 0.00 -0.32 4.33 4.02 -1.06 -4.72 117.16 114.93 1nhn n TYR 19 Ca -0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 57.88 1nhn n TYR 19 Cb 0.11 -0.58 0.04 0.00 -0.02 0.00 0.00 39.34 38.90 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 -2.76 -0.18 0.15 -0.72 0.63 -0.85 -0.41 116.66 112.51 1nhn n ARG 20 Ca -0.24 1.30 0.10 0.00 -0.92 0.00 0.00 57.85 58.09 1nhn n ARG 20 Cb 0.82 -1.92 0.54 0.00 0.45 0.00 0.00 32.46 32.35 1nhn n ARG 20 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1nhn n PRO 21 N -5.25 0.13 -0.09 -0.14 -0.02 -1.26 -0.45 135.00 127.92 1nhn n PRO 21 Ca 0.09 0.63 -0.13 0.00 -2.02 0.00 0.00 63.50 62.07 1nhn n PRO 21 Cb 0.35 -1.92 -0.06 0.00 -0.02 0.00 0.00 33.50 31.84 1nhn n PRO 21 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1nhn n LYS 22 N -2.20 0.51 0.10 -0.52 4.01 0.45 -2.27 118.16 118.24 1nhn n LYS 22 Ca -0.01 0.54 -0.13 0.00 -0.51 0.00 0.00 58.31 58.20 1nhn n LYS 22 Cb 0.03 -1.71 -0.07 0.00 -0.51 0.00 0.00 35.03 32.77 1nhn n LYS 22 CO 0.00 0.00 0.00 -0.84 -1.11 0.00 0.00 177.40 175.45 1nhn h ILE 23 N -1.00 0.82 -0.76 -0.18 3.07 -1.40 -0.88 117.51 117.17 1nhn h ILE 23 Ca -0.18 0.00 0.09 0.00 1.55 0.00 0.00 64.86 66.32 1nhn h ILE 23 Cb 0.90 0.82 -0.05 0.00 -0.27 0.00 0.00 36.82 38.22 1nhn h ILE 23 CO -0.11 0.00 0.50 0.50 -1.05 0.00 0.00 178.15 177.99 1nhn h LYS 24 N -0.21 0.68 -0.54 0.16 3.11 -0.94 1.08 116.57 119.91 1nhn h LYS 24 Ca -0.01 -0.04 0.15 0.00 -2.81 0.00 0.00 60.65 57.95 1nhn h LYS 24 Cb 0.18 -0.15 -0.02 0.00 -1.00 0.00 0.00 32.23 31.24 1nhn h LYS 24 CO 0.00 0.45 0.39 0.78 -2.81 0.00 0.00 179.45 178.26 1nhn h GLY 25 N 0.70 0.01 0.00 5.01 0.00 -0.72 0.16 103.07 108.22 1nhn h GLY 25 Ca 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1nhn h GLY 25 CO -0.13 0.00 -1.77 1.18 0.00 0.00 0.00 176.54 175.82 1nhn n GLU 26 N -4.38 0.60 -2.94 4.80 -0.58 0.45 -4.59 120.64 114.00 1nhn n GLU 26 Ca 0.10 -0.16 -0.29 0.00 -0.42 0.00 0.00 57.16 56.39 1nhn n GLU 26 Cb 0.61 -1.43 -0.04 0.00 -0.57 0.00 0.00 31.44 30.01 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 -2.09 3.89 0.63 -0.32 8.25 0.34 -4.82 115.22 121.10 1nhn n HIS 27 Ca -0.03 -3.84 -0.03 0.00 -0.26 0.00 0.00 57.72 53.56 1nhn n HIS 27 Cb 0.47 -0.58 0.02 0.00 1.12 0.00 0.00 29.99 31.02 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 -0.15 1.14 0.00 -0.41 -0.04 -0.19 -2.56 135.00 132.78 1nhn n PRO 28 Ca 0.33 -0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1nhn n PRO 28 Cb 0.38 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 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 0.41 0.98 3.97 0.55 0.00 -1.26 -5.10 105.19 104.74 1nhn n GLY 29 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.26 0.00 -4.85 0.99 4.77 -1.06 -5.13 117.00 111.47 1nhn n LEU 30 Ca 0.00 -2.15 -0.29 0.00 -0.03 0.00 0.00 56.01 53.54 1nhn n LEU 30 Cb 0.00 -0.66 -0.03 0.00 -2.33 0.00 0.00 43.42 40.40 1nhn n LEU 30 CO 0.00 -1.00 -0.07 -0.44 -1.33 0.00 0.00 177.39 174.54 1nhn s SER 31 N -5.16 4.42 -0.00 -1.43 0.01 -1.26 -4.93 113.70 105.35 1nhn s SER 31 Ca 0.68 -1.43 0.09 0.00 1.31 0.00 0.00 55.95 56.60 1nhn s SER 31 Cb -0.04 0.51 0.27 0.00 0.21 0.00 0.00 66.02 66.97 1nhn s SER 31 CO 0.45 -1.02 1.22 0.00 0.41 0.00 0.00 173.24 174.30 1nhn n ILE 32 N -1.57 0.42 0.00 1.44 3.06 -1.26 -1.23 119.36 120.22 1nhn n ILE 32 Ca -0.09 -0.41 0.00 0.00 -2.50 0.00 0.00 62.75 59.74 1nhn n ILE 32 Cb 0.65 0.20 0.00 0.00 0.54 0.00 0.00 39.64 41.03 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 0.98 0.05 0.27 4.50 0.00 -1.26 -4.29 105.19 105.44 1nhn n GLY 33 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.45 1.67 0.16 1.61 -0.08 -1.11 -1.81 116.55 115.54 1nhn n ASP 34 Ca 0.00 0.28 0.08 0.00 -1.51 0.00 0.00 54.79 53.65 1nhn n ASP 34 Cb 0.00 -0.69 0.58 0.00 2.34 0.00 0.00 41.12 43.35 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 -0.84 1.00 0.02 5.18 3.04 -1.47 0.39 116.25 123.56 1nhn h VAL 35 Ca -0.60 -0.06 -0.20 0.00 -1.01 0.00 0.00 66.70 64.83 1nhn h VAL 35 Cb 1.53 0.82 -0.02 0.00 -2.01 0.00 0.00 31.29 31.62 1nhn h VAL 35 CO -0.36 0.03 -0.94 0.00 -1.01 0.00 0.00 177.57 175.29 1nhn h ALA 36 N 1.90 0.46 -0.63 3.17 0.00 -1.72 -2.28 119.26 120.16 1nhn h ALA 36 Ca 0.07 -0.79 -0.03 0.00 0.00 0.00 0.00 54.91 54.16 1nhn h ALA 36 Cb 0.09 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1nhn h ALA 36 CO -0.01 1.03 0.26 -0.22 0.00 0.00 0.00 179.25 180.31 1nhn h LYS 37 N 0.05 0.93 0.43 0.00 3.11 0.51 0.52 116.57 122.12 1nhn h LYS 37 Ca -0.04 -0.16 -0.02 0.00 -2.81 0.00 0.00 60.65 57.62 1nhn h LYS 37 Cb 1.61 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 32.69 1nhn h LYS 37 CO 0.14 0.78 -0.21 -0.22 -2.81 0.00 0.00 179.45 177.13 1nhn h LYS 38 N 0.87 -0.56 -0.69 1.90 1.63 -1.17 -1.42 116.57 117.15 1nhn h LYS 38 Ca 0.21 0.04 0.09 0.00 -0.85 0.00 0.00 60.65 60.14 1nhn h LYS 38 Cb 0.19 0.13 -0.07 0.00 -0.60 0.00 0.00 32.23 31.87 1nhn h LYS 38 CO -0.02 -0.30 0.33 -0.07 -3.45 0.00 0.00 179.45 175.94 1nhn h LEU 39 N -0.72 0.42 -0.93 5.20 3.38 -1.24 -0.18 115.31 121.23 1nhn h LEU 39 Ca -0.06 0.06 0.15 0.00 0.09 0.00 0.00 57.88 58.13 1nhn h LEU 39 Cb 0.51 -0.01 -0.16 0.00 0.09 0.00 0.00 40.66 41.10 1nhn h LEU 39 CO 0.10 0.24 -0.36 1.23 0.09 0.00 0.00 178.44 179.74 1nhn h GLY 40 N 0.57 0.15 0.76 0.83 0.00 0.55 0.27 103.07 106.19 1nhn h GLY 40 Ca 0.34 0.48 -0.03 0.00 0.00 0.00 0.00 47.33 48.11 1nhn h GLY 40 CO -0.27 -0.23 -0.29 0.83 0.00 0.00 0.00 176.54 176.57 1nhn h GLU 41 N -0.02 -0.79 -0.70 4.80 4.39 -0.01 -3.27 114.58 118.98 1nhn h GLU 41 Ca 0.35 0.05 0.12 0.00 0.34 0.00 0.00 59.36 60.23 1nhn h GLU 41 Cb 0.61 0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 29.39 1nhn h GLU 41 CO -0.95 -0.48 0.47 0.52 -1.16 0.00 0.00 179.01 177.41 1nhn h MET 42 N -1.08 0.43 -0.50 2.33 2.86 0.12 -2.42 114.93 116.67 1nhn h MET 42 Ca -0.08 -0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.59 1nhn h MET 42 Cb 0.68 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.19 1nhn h MET 42 CO 0.14 0.28 0.21 2.35 1.06 0.00 0.00 176.91 180.95 1nhn h TRP 43 N 0.44 0.37 -0.62 -0.22 2.91 -0.58 0.25 115.95 118.50 1nhn h TRP 43 Ca 0.33 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.39 1nhn h TRP 43 Cb 0.69 -0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 29.22 1nhn h TRP 43 CO -0.00 0.15 0.41 -0.91 -1.03 0.00 0.00 178.44 177.05 1nhn h ASN 44 N 0.41 0.70 -0.16 2.65 2.35 -1.51 -1.87 115.58 118.15 1nhn h ASN 44 Ca 0.24 -0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.88 1nhn h ASN 44 Cb 0.22 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.36 1nhn h ASN 44 CO -0.21 0.51 0.11 0.59 -1.65 0.00 0.00 177.43 176.78 1nhn n ASN 45 N -4.66 3.50 0.00 5.81 3.02 -0.08 -4.83 115.26 118.02 1nhn n ASN 45 Ca 0.05 -2.32 0.00 0.00 -0.03 0.00 0.00 54.58 52.28 1nhn n ASN 45 Cb 0.03 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 38.56 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 0.36 0.00 -4.35 3.41 5.66 -0.29 -4.92 114.28 114.14 1nhn n THR 46 Ca 0.10 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.76 1nhn n THR 46 Cb 0.67 -0.40 -0.12 0.00 -1.55 0.00 0.00 70.33 68.94 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 -2.22 3.06 -0.60 1.79 0.00 -1.26 -4.95 121.76 117.58 1nhn s ALA 47 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.15 1nhn s ALA 47 Cb 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.52 1nhn s ALA 47 CO 0.00 0.22 0.68 0.00 0.00 0.00 0.00 175.76 176.66 1nhn n ALA 48 N 3.50 2.46 0.00 0.00 0.00 -1.26 -0.28 120.51 124.93 1nhn n ALA 48 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1nhn n ALA 48 Cb 0.52 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 0.22 4.24 -0.71 0.00 9.92 -1.26 -4.56 116.55 124.40 1nhn n ASP 49 Ca 0.00 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.39 1nhn n ASP 49 Cb 0.34 0.50 0.33 0.00 -0.64 0.00 0.00 41.12 41.65 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 -1.69 2.21 -0.05 -2.24 9.92 0.61 -3.67 116.55 121.64 1nhn n ASP 50 Ca 0.00 -1.74 -0.20 0.00 -0.53 0.00 0.00 54.79 52.32 1nhn n ASP 50 Cb 0.35 -0.02 -0.13 0.00 -0.64 0.00 0.00 41.12 40.68 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 0.72 0.72 -0.26 -1.24 5.02 -0.81 -4.40 118.16 117.90 1nhn n LYS 51 Ca 0.17 0.22 0.06 0.00 -2.02 0.00 0.00 58.31 56.74 1nhn n LYS 51 Cb 0.46 -1.64 0.13 0.00 -0.02 0.00 0.00 35.03 33.96 1nhn n LYS 51 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1nhn n GLN 52 N -3.39 -0.06 0.00 1.97 1.13 -1.24 -0.22 117.38 115.57 1nhn n GLN 52 Ca -0.37 1.13 -0.05 0.00 -1.94 0.00 0.00 57.00 55.77 1nhn n GLN 52 Cb 1.03 -1.71 -0.03 0.00 0.11 0.00 0.00 30.24 29.63 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 -0.18 -0.45 -1.09 0.13 -1.79 -2.14 132.00 126.49 1nhn h PRO 53 Ca 0.37 0.01 0.09 0.00 -0.87 0.00 0.00 66.00 65.60 1nhn h PRO 53 Cb 0.62 0.04 -0.10 0.00 0.13 0.00 0.00 31.00 31.69 1nhn h PRO 53 CO -0.74 -0.12 -0.31 1.88 -0.23 0.00 0.00 178.00 178.49 1nhn h TYR 54 N -0.18 -0.83 -0.42 1.56 0.05 -0.83 -2.78 116.97 113.53 1nhn h TYR 54 Ca 0.01 0.06 0.04 0.00 0.05 0.00 0.00 58.73 58.89 1nhn h TYR 54 Cb 0.21 0.43 -0.06 0.00 1.01 0.00 0.00 36.73 38.32 1nhn h TYR 54 CO -0.46 -0.37 -0.36 0.93 -1.05 0.00 0.00 178.16 176.85 1nhn h GLU 55 N -0.21 -0.14 -0.11 4.88 5.08 -0.48 0.22 114.58 123.82 1nhn h GLU 55 Ca 0.19 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.60 1nhn h GLU 55 Cb 0.53 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 1nhn h GLU 55 CO -0.57 -0.10 0.53 0.87 -1.00 0.00 0.00 179.01 178.74 1nhn h LYS 56 N -0.15 0.00 0.00 2.33 1.57 -1.09 0.32 116.57 119.55 1nhn h LYS 56 Ca 0.07 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1nhn h LYS 56 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1nhn h LYS 56 CO -0.47 0.00 -0.75 1.17 -0.57 0.00 0.00 179.45 178.83 1nhn n LYS 57 N -2.95 0.48 -0.28 3.15 4.81 0.03 -2.89 118.16 120.52 1nhn n LYS 57 Ca 0.01 0.52 0.03 0.00 -0.87 0.00 0.00 58.31 58.00 1nhn n LYS 57 Cb 0.59 -1.69 0.11 0.00 0.02 0.00 0.00 35.03 34.06 1nhn n LYS 57 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1nhn h ALA 58 N -0.88 0.57 0.50 3.14 0.00 0.18 0.72 119.26 123.49 1nhn h ALA 58 Ca -0.10 0.31 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1nhn h ALA 58 Cb 0.74 0.61 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1nhn h ALA 58 CO -0.06 -0.41 -0.24 0.00 0.00 0.00 0.00 179.25 178.54 1nhn h ALA 59 N 1.81 -0.68 -0.60 0.00 0.00 -0.59 -1.66 119.26 117.54 1nhn h ALA 59 Ca 0.40 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.23 1nhn h ALA 59 Cb 0.62 0.26 -0.11 0.00 0.00 0.00 0.00 17.79 18.55 1nhn h ALA 59 CO -0.83 -0.80 -0.32 -0.22 0.00 0.00 0.00 179.25 177.09 1nhn h LYS 60 N -0.85 -0.14 -0.27 0.00 3.64 -0.75 0.21 116.57 118.41 1nhn h LYS 60 Ca -0.07 0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.20 1nhn h LYS 60 Cb 0.59 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1nhn h LYS 60 CO 0.11 -0.10 -0.30 1.37 -2.27 0.00 0.00 179.45 178.27 1nhn h LEU 61 N -0.15 0.73 -0.59 5.20 8.10 -1.33 -0.92 115.31 126.36 1nhn h LEU 61 Ca 0.24 -0.48 -0.15 0.00 0.11 0.00 0.00 57.88 57.60 1nhn h LEU 61 Cb 0.55 -0.21 -0.02 0.00 -0.44 0.00 0.00 40.66 40.54 1nhn h LEU 61 CO -0.68 1.07 -0.69 0.07 -4.11 0.00 0.00 178.44 174.10 1nhn h LYS 62 N 0.41 0.08 0.36 0.17 5.09 -1.00 -1.03 116.57 120.64 1nhn h LYS 62 Ca 0.04 -0.06 -0.02 0.00 0.09 0.00 0.00 60.65 60.70 1nhn h LYS 62 Cb 0.87 0.01 0.00 0.00 0.10 0.00 0.00 32.23 33.22 1nhn h LYS 62 CO 0.07 0.74 -0.17 1.49 -2.09 0.00 0.00 179.45 179.49 1nhn h GLU 63 N 0.05 -0.46 -0.37 0.07 4.57 -0.61 -2.22 114.58 115.61 1nhn h GLU 63 Ca -0.01 0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.26 1nhn h GLU 63 Cb 1.22 0.11 -0.09 0.00 -0.16 0.00 0.00 28.75 29.83 1nhn h GLU 63 CO 0.10 -0.16 -0.43 -0.22 -1.18 0.00 0.00 179.01 177.11 1nhn h LYS 64 N -0.78 -0.34 0.00 1.92 3.64 -1.07 -2.45 116.57 117.50 1nhn h LYS 64 Ca -0.05 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1nhn h LYS 64 Cb 0.52 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1nhn h LYS 64 CO 0.08 -0.23 0.00 0.98 -2.27 0.00 0.00 179.45 178.01 1nhn n TYR 65 N -5.42 0.00 -0.46 1.91 9.36 -0.40 -0.57 117.16 121.58 1nhn n TYR 65 Ca -0.01 0.00 0.38 0.00 3.32 0.00 0.00 57.90 61.58 1nhn n TYR 65 Cb 0.35 -0.47 0.61 0.00 -0.63 0.00 0.00 39.34 39.20 1nhn n TYR 65 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1nhn n GLU 66 N -2.81 -0.02 0.01 2.98 1.02 -0.85 0.33 120.64 121.30 1nhn n GLU 66 Ca 0.00 1.01 -0.21 0.00 -0.02 0.00 0.00 57.16 57.94 1nhn n GLU 66 Cb 0.00 -2.09 -0.14 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 0.24 -0.16 3.49 6.56 -0.77 -3.05 116.57 122.89 1nhn h LYS 67 Ca 0.76 -0.41 0.01 0.00 -1.06 0.00 0.00 60.65 59.94 1nhn h LYS 67 Cb 2.65 0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 34.46 1nhn h LYS 67 CO -0.27 1.20 0.11 0.22 -2.06 0.00 0.00 179.45 178.64 1nhn h ASP 68 N -0.37 0.16 -0.12 0.86 3.58 0.24 0.30 116.42 121.07 1nhn h ASP 68 Ca -0.26 -0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.12 1nhn h ASP 68 Cb 1.69 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 42.70 1nhn h ASP 68 CO 0.07 0.11 -0.21 -0.29 -2.88 0.00 0.00 179.24 176.05 1nhn h ILE 69 N 0.18 1.38 0.00 2.25 -0.00 -0.43 0.16 117.51 121.05 1nhn h ILE 69 Ca 0.06 -1.46 -0.02 0.00 -0.00 0.00 0.00 64.86 63.44 1nhn h ILE 69 Cb 0.02 2.05 -0.00 0.00 -0.00 0.00 0.00 36.82 38.88 1nhn h ILE 69 CO -0.01 0.43 -0.09 0.00 -0.00 0.00 0.00 178.15 178.47 1nhn h ALA 70 N 0.54 1.46 -0.09 0.18 0.00 -1.04 0.39 119.26 120.70 1nhn h ALA 70 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1nhn h ALA 70 Cb 0.78 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1nhn h ALA 70 CO 0.05 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.41 1nhn n ALA 71 N -2.35 2.52 -0.10 0.00 0.00 0.91 -1.79 120.51 119.70 1nhn n ALA 71 Ca -0.02 -0.57 -0.21 0.00 0.00 0.00 0.00 53.44 52.64 1nhn n ALA 71 Cb 0.19 -1.04 -0.08 0.00 0.00 0.00 0.00 19.45 18.52 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 0.59 0.00 -0.05 0.00 9.36 0.48 -4.64 117.16 122.90 1nhn n TYR 72 Ca 0.17 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.34 1nhn n TYR 72 Cb 0.43 -0.73 -0.07 0.00 -0.63 0.00 0.00 39.34 38.33 1nhn n TYR 72 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1nhn n ARG 73 N -3.79 2.08 -1.39 2.98 1.74 -0.25 -4.64 116.66 113.39 1nhn n ARG 73 Ca -0.39 0.01 -0.34 0.00 -0.77 0.00 0.00 57.85 56.36 1nhn n ARG 73 Cb 0.80 -1.24 0.07 0.00 -1.02 0.00 0.00 32.46 31.07 1nhn n ARG 73 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nhn n ALA 74 N -2.44 6.22 -0.72 7.54 0.00 -0.74 -4.60 120.51 125.77 1nhn n ALA 74 Ca -0.16 -3.51 0.00 0.00 0.00 0.00 0.00 53.44 49.77 1nhn n ALA 74 Cb 0.79 -1.64 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 -0.90 0.00 -1.80 0.00 4.81 -1.01 -4.65 118.16 114.62 1nhn n LYS 75 Ca 0.61 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 58.05 1nhn n LYS 75 Cb 0.69 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.74 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 3.00 0.00 0.12 3.14 0.00 -1.26 -4.77 105.19 105.42 1nhn n GLY 76 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.52 0.56 0.19 1.61 5.02 -1.26 -4.41 118.16 119.35 1nhn n LYS 77 Ca 0.00 0.33 0.05 0.00 -2.02 0.00 0.00 58.31 56.67 1nhn n LYS 77 Cb 0.00 -1.54 0.38 0.00 -0.02 0.00 0.00 35.03 33.85 1nhn n LYS 77 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1nhn h PRO 78 N -1.00 0.00 -6.91 1.97 0.13 -2.04 -3.46 132.00 120.68 1nhn h PRO 78 Ca -0.41 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.13 1nhn h PRO 78 Cb 1.31 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.36 1nhn h PRO 78 CO -0.25 0.37 -0.98 -3.47 -0.23 0.00 0.00 178.00 173.44 1nhn n ASP 79 N -3.77 -2.02 0.00 1.44 -0.08 -1.26 -4.73 116.55 106.13 1nhn n ASP 79 Ca -0.01 -1.25 0.00 0.00 -1.51 0.00 0.00 54.79 52.02 1nhn n ASP 79 Cb 0.45 -1.87 0.00 0.00 2.34 0.00 0.00 41.12 42.04 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 -4.78 0.00 0.38 -1.67 0.00 -1.26 -5.19 120.51 107.99 1nhn n ALA 80 Ca -0.21 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.28 1nhn n ALA 80 Cb 0.62 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.11 1nhn n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50