#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 -0.31 -0.79 5.41 0.00 -1.26 -4.77 120.51 118.79 1nhn n ALA 4 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1nhn n ALA 4 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.11 0.00 -3.73 0.00 -0.02 -1.26 -5.00 135.00 124.88 1nhn n PRO 5 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.18 1nhn n PRO 5 Cb 0.00 -0.77 -0.13 0.00 -0.02 0.00 0.00 33.50 32.58 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 -1.42 1.20 0.00 -0.52 0.00 -1.26 -5.04 119.74 112.70 1nhn s LYS 6 Ca 0.33 -1.84 0.00 0.00 0.00 0.00 0.00 55.97 54.46 1nhn s LYS 6 Cb -0.17 -2.32 0.00 0.00 0.00 0.00 0.00 37.83 35.34 1nhn s LYS 6 CO 0.62 -1.12 0.00 0.54 0.00 0.00 0.00 175.35 175.39 1nhn n ARG 7 N 3.80 0.00 -0.48 1.78 1.74 -1.26 -4.91 116.66 117.33 1nhn n ARG 7 Ca 0.06 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.85 1nhn n ARG 7 Cb 0.36 0.00 0.27 0.00 -1.02 0.00 0.00 32.46 32.07 1nhn n ARG 7 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1nhn s PRO 8 N 0.00 -1.77 1.02 5.56 0.04 -1.26 -5.03 135.00 133.55 1nhn s PRO 8 Ca 0.00 0.54 -0.14 0.00 0.04 0.00 0.00 61.00 61.44 1nhn s PRO 8 Cb 0.00 -1.48 0.21 0.00 0.04 0.00 0.00 34.50 33.28 1nhn s PRO 8 CO 0.00 -4.21 0.48 -0.35 0.04 0.00 0.00 177.00 172.96 1nhn n PRO 9 N -5.22 -1.97 -0.48 0.56 -0.04 -1.26 -4.97 135.00 121.62 1nhn n PRO 9 Ca 0.06 -0.81 0.06 0.00 -0.04 0.00 0.00 63.50 62.77 1nhn n PRO 9 Cb 0.57 -1.45 0.10 0.00 -0.04 0.00 0.00 33.50 32.67 1nhn n PRO 9 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1nhn n SER 10 N -2.16 1.44 0.00 3.54 7.64 -1.26 -4.87 113.62 117.95 1nhn n SER 10 Ca 0.08 -2.84 0.00 0.00 1.01 0.00 0.00 58.87 57.11 1nhn n SER 10 Cb 0.34 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 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 -0.75 0.00 0.25 -0.43 0.00 -1.26 -4.55 120.51 113.76 1nhn n ALA 11 Ca 0.11 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.67 1nhn n ALA 11 Cb 0.73 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.84 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 -0.10 0.00 3.04 -1.94 -2.93 116.94 115.01 1nhn h PHE 12 Ca 0.00 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.89 1nhn h PHE 12 Cb 0.00 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.51 1nhn h PHE 12 CO 0.00 0.15 -0.19 0.35 -2.02 0.00 0.00 178.31 176.61 1nhn h PHE 13 N 0.00 0.39 -0.21 0.41 3.57 -1.94 -1.74 116.94 117.42 1nhn h PHE 13 Ca -0.00 -0.14 0.06 0.00 3.53 0.00 0.00 57.97 61.42 1nhn h PHE 13 Cb 0.41 -0.07 -0.07 0.00 2.79 0.00 0.00 35.95 39.00 1nhn h PHE 13 CO 0.00 0.79 -0.27 -0.07 -2.23 0.00 0.00 178.31 176.53 1nhn h LEU 14 N -0.12 -0.85 -0.85 0.59 -0.00 -1.89 0.05 115.31 112.23 1nhn h LEU 14 Ca 0.01 0.14 0.19 0.00 -0.00 0.00 0.00 57.88 58.22 1nhn h LEU 14 Cb 0.76 0.39 -0.11 0.00 -0.00 0.00 0.00 40.66 41.69 1nhn h LEU 14 CO 0.04 -0.30 0.35 0.15 -0.00 0.00 0.00 178.44 178.68 1nhn h PHE 15 N -0.29 0.59 -0.52 1.13 3.57 -1.53 -2.09 116.94 117.79 1nhn h PHE 15 Ca 0.13 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 1nhn h PHE 15 Cb 0.49 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 1nhn h PHE 15 CO -0.40 -0.00 0.26 0.00 -2.23 0.00 0.00 178.31 175.94 1nhn h SER 17 N 0.70 0.40 0.77 0.00 4.64 -0.76 0.23 113.55 119.52 1nhn h SER 17 Ca 0.18 0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.48 1nhn h SER 17 Cb 0.09 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1nhn h SER 17 CO -0.03 0.28 -0.19 -0.33 -0.87 0.00 0.00 176.83 175.70 1nhn h GLU 18 N 0.53 0.00 0.00 4.77 5.08 -1.48 -3.37 114.58 120.11 1nhn h GLU 18 Ca 0.22 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.37 1nhn h GLU 18 Cb 0.10 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 1nhn h GLU 18 CO -0.14 0.19 -1.81 0.66 -1.00 0.00 0.00 179.01 176.91 1nhn n TYR 19 N -3.44 0.00 -0.31 4.33 4.01 -0.98 -4.59 117.16 116.18 1nhn n TYR 19 Ca -0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.67 1nhn n TYR 19 Cb 0.37 -0.56 -0.02 0.00 -0.31 0.00 0.00 39.34 38.82 1nhn n TYR 19 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1nhn h ARG 20 N 0.00 -0.09 0.00 -0.72 2.43 -0.72 0.32 114.38 115.60 1nhn h ARG 20 Ca -0.32 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 1nhn h ARG 20 Cb 1.57 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.14 1nhn h ARG 20 CO -0.03 -0.06 0.00 -1.00 -1.51 0.00 0.00 179.97 177.37 1nhn h PRO 21 N -0.10 0.00 0.00 0.20 0.13 -1.81 0.33 132.00 130.75 1nhn h PRO 21 Ca 0.23 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.16 1nhn h PRO 21 Cb 0.54 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.64 1nhn h PRO 21 CO -0.85 0.00 -1.10 0.87 -0.23 0.00 0.00 178.00 176.69 1nhn h LYS 22 N 0.00 0.00 -0.39 0.86 1.57 -0.66 -2.39 116.57 115.56 1nhn h LYS 22 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1nhn h LYS 22 Cb 0.15 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1nhn h LYS 22 CO 0.00 0.95 0.19 -0.84 -0.57 0.00 0.00 179.45 179.18 1nhn h ILE 23 N -1.00 1.17 -0.63 1.86 3.07 -1.16 -0.32 117.51 120.50 1nhn h ILE 23 Ca -0.30 -0.48 0.11 0.00 1.55 0.00 0.00 64.86 65.74 1nhn h ILE 23 Cb 1.23 0.77 -0.04 0.00 -0.27 0.00 0.00 36.82 38.52 1nhn h ILE 23 CO -0.18 0.18 0.42 0.50 -1.05 0.00 0.00 178.15 178.02 1nhn h LYS 24 N 0.49 0.41 -0.42 0.16 3.64 -1.07 1.21 116.57 120.99 1nhn h LYS 24 Ca 0.13 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.52 1nhn h LYS 24 Cb 0.11 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1nhn h LYS 24 CO -0.02 0.27 0.28 0.78 -2.27 0.00 0.00 179.45 178.49 1nhn h GLY 25 N 0.42 0.50 0.06 5.01 0.00 -0.51 0.12 103.07 108.67 1nhn h GLY 25 Ca 0.29 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1nhn h GLY 25 CO -0.08 0.15 -1.82 1.18 0.00 0.00 0.00 176.54 175.97 1nhn n GLU 26 N -4.48 0.57 -2.94 4.80 -0.58 0.35 -4.50 120.64 113.86 1nhn n GLU 26 Ca 0.04 -0.16 -0.27 0.00 -0.42 0.00 0.00 57.16 56.36 1nhn n GLU 26 Cb 0.16 -1.53 -0.04 0.00 -0.57 0.00 0.00 31.44 29.46 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 -2.18 3.89 -0.05 -0.32 8.25 0.39 -4.86 115.22 120.33 1nhn n HIS 27 Ca -0.03 -3.97 -0.03 0.00 -0.26 0.00 0.00 57.72 53.43 1nhn n HIS 27 Cb 0.54 -0.48 0.01 0.00 1.12 0.00 0.00 29.99 31.18 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 -0.23 1.16 0.00 -0.41 -0.04 0.31 -2.47 135.00 133.32 1nhn n PRO 28 Ca 0.31 -0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1nhn n PRO 28 Cb 0.41 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 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 0.87 0.78 3.55 0.55 0.00 -1.26 -5.10 105.19 104.58 1nhn n GLY 29 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.27 0.00 0.00 0.99 4.77 -1.03 -5.13 117.00 116.33 1nhn n LEU 30 Ca 0.00 -1.86 -0.19 0.00 -0.03 0.00 0.00 56.01 53.93 1nhn n LEU 30 Cb 0.00 -0.63 -0.04 0.00 -2.33 0.00 0.00 43.42 40.42 1nhn n LEU 30 CO 0.00 -1.00 -0.13 -1.20 -1.33 0.00 0.00 177.39 173.73 1nhn n SER 31 N -3.01 2.50 -1.59 -1.43 7.64 -1.26 -4.98 113.62 111.48 1nhn n SER 31 Ca 0.15 -2.33 -0.00 0.00 1.01 0.00 0.00 58.87 57.70 1nhn n SER 31 Cb 0.54 0.30 0.25 0.00 -1.01 0.00 0.00 64.21 64.29 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 -0.72 2.12 0.00 0.44 3.06 -1.26 -1.59 119.36 121.42 1nhn n ILE 32 Ca -0.11 -1.09 0.00 0.00 -2.50 0.00 0.00 62.75 59.05 1nhn n ILE 32 Cb 0.38 -0.41 0.00 0.00 0.54 0.00 0.00 39.64 40.15 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 0.19 0.00 0.14 4.50 0.00 -1.26 -4.38 105.19 104.37 1nhn n GLY 33 Ca 0.25 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.90 1.94 -0.16 1.61 -0.08 -1.14 -2.70 116.55 114.12 1nhn n ASP 34 Ca 0.00 0.33 0.19 0.00 -1.51 0.00 0.00 54.79 53.80 1nhn n ASP 34 Cb 0.43 -0.80 0.57 0.00 2.34 0.00 0.00 41.12 43.67 1nhn n ASP 34 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1nhn h VAL 35 N -0.99 0.72 -0.22 5.18 2.07 -1.61 0.46 116.25 121.86 1nhn h VAL 35 Ca -0.55 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 66.83 1nhn h VAL 35 Cb 1.48 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1nhn h VAL 35 CO -0.33 0.05 -0.02 0.00 0.02 0.00 0.00 177.57 177.29 1nhn h ALA 36 N 1.64 0.30 -0.61 1.67 0.00 -1.75 0.36 119.26 120.87 1nhn h ALA 36 Ca 0.38 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1nhn h ALA 36 Cb 1.08 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1nhn h ALA 36 CO -0.10 0.05 0.10 1.57 0.00 0.00 0.00 179.25 180.88 1nhn h LYS 37 N 0.16 0.98 0.76 0.00 2.10 -0.02 0.36 116.57 120.91 1nhn h LYS 37 Ca 0.06 -0.24 -0.04 0.00 -2.00 0.00 0.00 60.65 58.43 1nhn h LYS 37 Cb 0.45 -0.13 0.01 0.00 -0.90 0.00 0.00 32.23 31.66 1nhn h LYS 37 CO 0.02 0.90 -0.36 -0.22 -2.00 0.00 0.00 179.45 177.79 1nhn h LYS 38 N 0.93 -0.98 -0.62 0.07 3.64 -0.60 -2.23 116.57 116.77 1nhn h LYS 38 Ca 0.19 0.07 0.07 0.00 -1.27 0.00 0.00 60.65 59.71 1nhn h LYS 38 Cb 0.40 0.22 -0.06 0.00 -0.41 0.00 0.00 32.23 32.38 1nhn h LYS 38 CO 0.01 -0.65 0.30 -0.07 -2.27 0.00 0.00 179.45 176.76 1nhn h LEU 39 N -1.27 0.38 -0.79 5.20 3.38 -0.92 0.24 115.31 121.54 1nhn h LEU 39 Ca -0.10 0.05 0.29 0.00 0.09 0.00 0.00 57.88 58.21 1nhn h LEU 39 Cb 0.78 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.42 1nhn h LEU 39 CO 0.17 0.24 0.48 0.61 0.09 0.00 0.00 178.44 180.03 1nhn n GLY 40 N -1.28 -0.51 0.24 0.83 0.00 0.13 -0.90 105.19 103.69 1nhn n GLY 40 Ca 0.08 0.50 -0.26 0.00 0.00 0.00 0.00 46.02 46.34 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 -4.14 0.52 -0.35 1.61 -0.58 -0.34 -4.59 120.64 112.77 1nhn n GLU 41 Ca 0.25 0.23 0.35 0.00 -0.42 0.00 0.00 57.16 57.57 1nhn n GLU 41 Cb 0.93 -1.37 0.73 0.00 -0.57 0.00 0.00 31.44 31.16 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 -0.88 0.04 -0.43 3.49 2.86 0.92 -1.20 114.93 119.72 1nhn h MET 42 Ca -0.59 -0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.06 1nhn h MET 42 Cb 1.51 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 33.13 1nhn h MET 42 CO -0.36 0.03 0.25 2.35 1.06 0.00 0.00 176.91 180.23 1nhn h TRP 43 N 0.04 0.47 0.00 -0.22 2.91 -1.51 0.77 115.95 118.40 1nhn h TRP 43 Ca 0.60 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.64 1nhn h TRP 43 Cb 2.31 -0.15 0.00 0.00 -0.51 0.00 0.00 29.16 30.81 1nhn h TRP 43 CO -0.00 0.27 0.00 -0.91 -1.03 0.00 0.00 178.44 176.76 1nhn h ASN 44 N 0.50 0.00 -0.86 2.65 2.35 -1.49 -1.92 115.58 116.82 1nhn h ASN 44 Ca 0.17 0.00 -0.39 0.00 -0.55 0.00 0.00 56.30 55.53 1nhn h ASN 44 Cb 0.02 0.00 -0.23 0.00 0.05 0.00 0.00 38.32 38.16 1nhn h ASN 44 CO -0.09 0.00 0.47 0.59 -1.65 0.00 0.00 177.43 176.75 1nhn n ASN 45 N -3.03 4.02 -1.57 5.81 3.02 0.18 -4.93 115.26 118.76 1nhn n ASN 45 Ca -0.00 -3.49 0.00 0.00 -0.03 0.00 0.00 54.58 51.06 1nhn n ASN 45 Cb 0.25 -0.79 0.00 0.00 -0.61 0.00 0.00 39.78 38.63 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 -0.82 0.00 -0.95 3.41 5.66 -0.67 -4.95 114.28 115.96 1nhn n THR 46 Ca 0.51 0.00 0.08 0.00 -3.05 0.00 0.00 64.05 61.59 1nhn n THR 46 Cb 1.53 0.00 0.31 0.00 -1.55 0.00 0.00 70.33 70.62 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 3.29 -0.48 1.79 0.00 -1.26 -4.93 120.51 115.92 1nhn n ALA 47 Ca 0.00 -2.15 -0.01 0.00 0.00 0.00 0.00 53.44 51.28 1nhn n ALA 47 Cb 0.00 -0.85 -0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 -0.08 -0.01 0.00 0.00 0.00 -1.26 -4.12 120.51 115.03 1nhn n ALA 48 Ca 0.23 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1nhn n ALA 48 Cb 0.99 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 20.16 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 1.85 1.65 -0.53 0.00 2.03 -1.26 -4.67 116.55 115.62 1nhn n ASP 49 Ca -0.01 -0.06 0.13 0.00 0.52 0.00 0.00 54.79 55.36 1nhn n ASP 49 Cb 0.06 0.46 0.29 0.00 -0.72 0.00 0.00 41.12 41.21 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 -0.62 1.82 0.07 1.67 8.00 -1.26 -3.86 116.55 122.36 1nhn n ASP 50 Ca 0.00 -1.45 -0.21 0.00 0.71 0.00 0.00 54.79 53.83 1nhn n ASP 50 Cb 0.00 0.13 -0.15 0.00 -0.02 0.00 0.00 41.12 41.08 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 2.60 0.35 -0.87 -1.24 1.57 -1.91 -3.37 116.57 113.69 1nhn h LYS 51 Ca 0.00 -0.60 0.16 0.00 -1.87 0.00 0.00 60.65 58.34 1nhn h LYS 51 Cb 0.66 0.22 -0.16 0.00 0.08 0.00 0.00 32.23 33.04 1nhn h LYS 51 CO 0.00 1.25 -0.26 1.04 -0.57 0.00 0.00 179.45 180.92 1nhn n GLN 52 N -3.54 -0.12 0.35 3.15 3.00 -1.25 -0.28 117.38 118.68 1nhn n GLN 52 Ca -0.23 1.36 -0.17 0.00 -0.01 0.00 0.00 57.00 57.94 1nhn n GLN 52 Cb 1.07 -2.02 -0.09 0.00 0.00 0.00 0.00 30.24 29.20 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 -0.99 -0.84 -1.09 0.13 -1.81 -1.20 132.00 126.20 1nhn h PRO 53 Ca 0.38 0.07 0.20 0.00 -0.87 0.00 0.00 66.00 65.78 1nhn h PRO 53 Cb 0.60 0.23 -0.15 0.00 0.13 0.00 0.00 31.00 31.81 1nhn h PRO 53 CO -0.89 -0.66 0.02 1.88 -0.23 0.00 0.00 178.00 178.12 1nhn h TYR 54 N -1.03 -0.04 0.61 1.56 0.05 -1.24 -0.56 116.97 116.32 1nhn h TYR 54 Ca -0.08 0.06 -0.03 0.00 0.05 0.00 0.00 58.73 58.73 1nhn h TYR 54 Cb 0.85 0.15 -0.00 0.00 1.01 0.00 0.00 36.73 38.73 1nhn h TYR 54 CO -0.13 -0.29 -0.38 0.93 -1.05 0.00 0.00 178.16 177.23 1nhn h GLU 55 N 0.09 -0.90 -0.95 4.88 4.39 -0.49 0.00 114.58 121.60 1nhn h GLU 55 Ca 0.47 0.06 0.39 0.00 0.34 0.00 0.00 59.36 60.62 1nhn h GLU 55 Cb 0.88 0.20 -0.16 0.00 -0.10 0.00 0.00 28.75 29.58 1nhn h GLU 55 CO -0.75 -0.60 0.53 1.63 -1.16 0.00 0.00 179.01 178.67 1nhn n LYS 56 N -4.79 -0.05 0.01 2.33 5.02 -0.25 -0.33 118.16 120.09 1nhn n LYS 56 Ca -0.11 1.24 -0.02 0.00 -2.02 0.00 0.00 58.31 57.40 1nhn n LYS 56 Cb 0.39 -2.26 -0.01 0.00 -0.02 0.00 0.00 35.03 33.13 1nhn n LYS 56 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1nhn h LYS 57 N 0.00 -0.12 -0.92 1.97 1.57 -1.01 -2.08 116.57 115.98 1nhn h LYS 57 Ca 0.78 0.01 0.26 0.00 -1.87 0.00 0.00 60.65 59.83 1nhn h LYS 57 Cb 2.12 0.03 -0.15 0.00 0.08 0.00 0.00 32.23 34.31 1nhn h LYS 57 CO -0.67 -0.08 0.30 0.00 -0.57 0.00 0.00 179.45 178.44 1nhn h ALA 58 N -1.24 1.45 0.06 3.86 0.00 0.09 0.19 119.26 123.67 1nhn h ALA 58 Ca -0.01 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1nhn h ALA 58 Cb 0.09 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1nhn h ALA 58 CO 0.02 -0.52 -0.03 0.00 0.00 0.00 0.00 179.25 178.73 1nhn h ALA 59 N 1.82 -0.08 -0.68 0.00 0.00 -0.79 -1.20 119.26 118.33 1nhn h ALA 59 Ca 0.61 -0.13 0.15 0.00 0.00 0.00 0.00 54.91 55.53 1nhn h ALA 59 Cb 1.29 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.99 1nhn h ALA 59 CO -0.67 -0.42 -0.05 -0.22 0.00 0.00 0.00 179.25 177.89 1nhn h LYS 60 N -0.33 0.07 0.28 0.00 3.11 0.07 0.01 116.57 119.78 1nhn h LYS 60 Ca -0.01 -0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.81 1nhn h LYS 60 Cb 0.29 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.51 1nhn h LYS 60 CO 0.01 0.05 -0.13 -0.07 -2.81 0.00 0.00 179.45 176.50 1nhn h LEU 61 N 0.08 -0.32 -0.94 5.20 3.38 -1.12 -2.32 115.31 119.26 1nhn h LEU 61 Ca 0.36 -0.19 0.18 0.00 0.09 0.00 0.00 57.88 58.32 1nhn h LEU 61 Cb 0.59 0.08 -0.11 0.00 0.09 0.00 0.00 40.66 41.32 1nhn h LEU 61 CO -0.63 0.05 0.53 0.11 0.09 0.00 0.00 178.44 178.59 1nhn h LYS 62 N -0.72 0.66 0.00 1.13 1.57 -0.66 -1.56 116.57 116.99 1nhn h LYS 62 Ca -0.04 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1nhn h LYS 62 Cb 0.49 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1nhn h LYS 62 CO 0.06 0.43 0.00 -1.91 -0.57 0.00 0.00 179.45 177.47 1nhn n GLU 63 N -4.83 0.00 -0.34 3.15 2.13 -0.06 -1.43 120.64 119.26 1nhn n GLU 63 Ca 0.21 0.47 0.20 0.00 0.66 0.00 0.00 57.16 58.70 1nhn n GLU 63 Cb 0.54 -1.40 0.43 0.00 0.27 0.00 0.00 31.44 31.29 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 0.00 0.50 0.00 5.31 5.09 -1.18 -2.63 116.57 123.65 1nhn h LYS 64 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 60.65 60.71 1nhn h LYS 64 Cb 0.00 -0.11 0.00 0.00 0.10 0.00 0.00 32.23 32.22 1nhn h LYS 64 CO 0.00 0.33 0.00 0.98 -2.09 0.00 0.00 179.45 178.67 1nhn n TYR 65 N -4.78 0.00 -0.53 0.07 4.19 -0.61 -1.84 117.16 113.66 1nhn n TYR 65 Ca 0.26 0.00 0.45 0.00 3.31 0.00 0.00 57.90 61.92 1nhn n TYR 65 Cb 0.80 -0.48 0.78 0.00 0.49 0.00 0.00 39.34 40.93 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 0.02 0.04 2.98 5.08 -0.87 0.21 114.58 122.04 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 -0.02 0.87 -1.00 0.00 0.00 179.01 178.87 1nhn h LYS 67 N 0.02 -0.05 0.00 2.33 6.56 -1.35 -2.25 116.57 121.82 1nhn h LYS 67 Ca 0.78 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.38 1nhn h LYS 67 Cb 3.07 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 34.74 1nhn h LYS 67 CO -0.05 0.62 0.00 0.22 -2.06 0.00 0.00 179.45 178.18 1nhn h ASP 68 N -0.84 0.00 0.02 0.86 3.58 -0.52 -1.83 116.42 117.69 1nhn h ASP 68 Ca -0.01 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.31 1nhn h ASP 68 Cb 0.69 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.75 1nhn h ASP 68 CO 0.01 0.00 -0.54 -0.29 -2.88 0.00 0.00 179.24 175.53 1nhn h ILE 69 N 0.00 1.48 -0.17 2.25 -0.00 -0.70 -0.14 117.51 120.23 1nhn h ILE 69 Ca 0.00 -2.14 -0.03 0.00 -0.00 0.00 0.00 64.86 62.69 1nhn h ILE 69 Cb 0.79 2.76 -0.01 0.00 -0.00 0.00 0.00 36.82 40.36 1nhn h ILE 69 CO 0.00 0.61 -0.02 0.00 -0.00 0.00 0.00 178.15 178.74 1nhn h ALA 70 N 0.26 1.65 0.00 0.18 0.00 -1.35 0.28 119.26 120.27 1nhn h ALA 70 Ca -0.07 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1nhn h ALA 70 Cb 1.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1nhn h ALA 70 CO 0.11 0.26 -0.08 0.00 0.00 0.00 0.00 179.25 179.54 1nhn n ALA 71 N -2.50 2.52 0.06 0.00 0.00 -0.69 -1.83 120.51 118.07 1nhn n ALA 71 Ca -0.00 -0.14 0.03 0.00 0.00 0.00 0.00 53.44 53.33 1nhn n ALA 71 Cb 0.19 -1.42 0.07 0.00 0.00 0.00 0.00 19.45 18.29 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 -1.51 0.16 -0.08 0.00 9.36 0.19 -4.51 117.16 120.78 1nhn n TYR 72 Ca 0.07 -0.28 -0.11 0.00 3.32 0.00 0.00 57.90 60.89 1nhn n TYR 72 Cb 0.34 -0.02 -0.07 0.00 -0.63 0.00 0.00 39.34 38.96 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 0.25 0.37 -0.47 2.98 0.63 0.74 -4.49 116.66 116.66 1nhn n ARG 73 Ca 0.06 0.10 -0.08 0.00 -0.92 0.00 0.00 57.85 57.01 1nhn n ARG 73 Cb 0.28 -1.26 0.04 0.00 0.45 0.00 0.00 32.46 31.97 1nhn n ARG 73 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1nhn n ALA 74 N -3.05 3.79 -1.99 5.13 0.00 -0.76 -4.85 120.51 118.78 1nhn n ALA 74 Ca -0.27 -0.87 -0.25 0.00 0.00 0.00 0.00 53.44 52.05 1nhn n ALA 74 Cb 0.77 -1.16 0.14 0.00 0.00 0.00 0.00 19.45 19.21 1nhn n ALA 74 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1nhn s LYS 75 N -0.98 1.26 0.00 0.00 2.20 -1.26 -4.60 119.74 116.36 1nhn s LYS 75 Ca 0.17 -1.08 0.00 0.00 -0.36 0.00 0.00 55.97 54.70 1nhn s LYS 75 Cb 0.14 -2.21 0.00 0.00 -1.51 0.00 0.00 37.83 34.25 1nhn s LYS 75 CO 0.02 -1.80 0.00 0.41 -0.36 0.00 0.00 175.35 173.62 1nhn n GLY 76 N -3.11 0.92 0.14 5.54 0.00 -1.26 -4.88 105.19 102.53 1nhn n GLY 76 Ca 0.17 -0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 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 0.62 -2.22 1.61 5.02 -1.26 -4.73 118.16 117.20 1nhn n LYS 77 Ca 0.00 0.17 -0.42 0.00 -2.02 0.00 0.00 58.31 56.04 1nhn n LYS 77 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 1nhn n LYS 77 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1nhn n PRO 78 N -3.48 3.75 -3.40 1.97 -0.04 -1.26 -4.72 135.00 127.81 1nhn n PRO 78 Ca -0.47 -3.43 -0.33 0.00 -0.04 0.00 0.00 63.50 59.23 1nhn n PRO 78 Cb 0.95 -2.89 -0.06 0.00 -0.04 0.00 0.00 33.50 31.47 1nhn n PRO 78 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1nhn n ASP 79 N 3.61 4.47 -3.34 3.54 9.92 -1.26 -4.90 116.55 128.58 1nhn n ASP 79 Ca 0.45 -3.36 -0.06 0.00 -0.53 0.00 0.00 54.79 51.29 1nhn n ASP 79 Cb 0.34 -0.90 0.00 0.00 -0.64 0.00 0.00 41.12 39.92 1nhn n ASP 79 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nhn n ALA 80 N 1.32 -1.27 0.00 2.24 0.00 -1.26 -5.19 120.51 116.35 1nhn n ALA 80 Ca 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1nhn n ALA 80 Cb 0.38 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.54 1nhn n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50