#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nfh n VAL 5 N 0.00 -1.11 -3.51 1.59 0.24 -1.25 -4.91 118.33 109.39 1nfh n VAL 5 Ca 0.00 0.69 -0.21 0.00 -2.04 0.00 0.00 64.34 62.78 1nfh n VAL 5 Cb 0.00 -1.10 -0.13 0.00 -1.47 0.00 0.00 33.84 31.13 1nfh n VAL 5 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1nfh s VAL 6 N -4.73 -0.26 -0.25 3.34 1.01 0.17 -4.80 120.40 114.88 1nfh s VAL 6 Ca 0.00 -0.29 -0.28 0.00 0.00 0.00 0.00 61.98 61.41 1nfh s VAL 6 Cb 0.00 -0.76 0.01 0.00 0.00 0.00 0.00 36.38 35.63 1nfh s VAL 6 CO 0.00 -0.35 1.01 -0.31 0.00 0.00 0.00 175.10 175.46 1nfh s TYR 7 N 2.26 3.29 -0.45 5.22 1.51 -1.26 -1.74 117.35 126.18 1nfh s TYR 7 Ca 0.07 1.34 -0.20 0.00 -1.01 0.00 0.00 57.07 57.27 1nfh s TYR 7 Cb -0.16 -3.33 0.03 0.00 -0.11 0.00 0.00 41.96 38.39 1nfh s TYR 7 CO -0.19 -0.54 0.63 0.08 -1.11 0.00 0.00 175.55 174.42 1nfh s VAL 8 N 3.25 4.84 0.00 0.71 1.01 -0.25 -4.98 120.40 124.98 1nfh s VAL 8 Ca 0.43 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.37 1nfh s VAL 8 Cb -0.14 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.02 1nfh s VAL 8 CO 0.08 -0.64 0.00 0.61 0.00 0.00 0.00 175.10 175.16 1nfh n GLY 9 N 5.07 0.53 0.00 4.51 0.00 -1.26 -4.68 105.19 109.36 1nfh n GLY 9 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1nfh n GLY 9 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nfh n ASN 10 N 0.00 1.01 -4.32 1.61 3.02 -1.26 -4.91 115.26 110.41 1nfh n ASN 10 Ca 0.00 -1.04 -0.28 0.00 -0.03 0.00 0.00 54.58 53.23 1nfh n ASN 10 Cb 0.00 0.00 0.26 0.00 -0.61 0.00 0.00 39.78 39.43 1nfh n ASN 10 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1nfh s LYS 11 N -0.04 -1.32 0.15 3.52 1.02 -1.26 -4.85 119.74 116.96 1nfh s LYS 11 Ca 0.00 0.67 -0.32 0.00 0.02 0.00 0.00 55.97 56.34 1nfh s LYS 11 Cb 0.00 -1.52 -0.11 0.00 -0.52 0.00 0.00 37.83 35.68 1nfh s LYS 11 CO 0.00 -3.95 1.80 -2.30 -0.92 0.00 0.00 175.35 169.99 1nfh n PRO 12 N -5.05 2.77 -0.33 -1.68 -0.02 -1.26 -4.84 135.00 124.59 1nfh n PRO 12 Ca 0.04 1.00 0.31 0.00 -2.02 0.00 0.00 63.50 62.84 1nfh n PRO 12 Cb 0.55 -2.88 0.56 0.00 -0.02 0.00 0.00 33.50 31.71 1nfh n PRO 12 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1nfh n VAL 13 N 4.47 -0.35 0.13 -1.45 0.31 -1.26 0.10 118.33 120.28 1nfh n VAL 13 Ca 0.17 1.82 0.06 0.00 -0.01 0.00 0.00 64.34 66.38 1nfh n VAL 13 Cb 0.36 -2.96 0.52 0.00 -0.91 0.00 0.00 33.84 30.85 1nfh n VAL 13 CO 0.00 0.00 0.00 -0.03 -1.32 0.00 0.00 176.83 175.48 1nfh h MET 14 N 0.00 0.26 -0.73 5.55 1.85 -2.00 -2.25 114.93 117.61 1nfh h MET 14 Ca 0.79 -0.02 -0.02 0.00 -0.61 0.00 0.00 59.70 59.84 1nfh h MET 14 Cb 2.19 -0.06 -0.03 0.00 0.43 0.00 0.00 31.60 34.13 1nfh h MET 14 CO -0.64 0.20 0.40 -0.91 -0.40 0.00 0.00 176.91 175.55 1nfh h ASN 15 N 0.27 0.92 -0.37 1.39 2.35 -0.69 0.14 115.58 119.58 1nfh h ASN 15 Ca 0.07 -0.10 -0.10 0.00 -0.55 0.00 0.00 56.30 55.63 1nfh h ASN 15 Cb 0.01 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 1nfh h ASN 15 CO -0.01 0.75 -0.14 1.88 -1.65 0.00 0.00 177.43 178.26 1nfh h TYR 16 N 1.01 0.86 -0.23 1.19 0.99 -1.51 0.71 116.97 119.98 1nfh h TYR 16 Ca 0.26 -0.20 -0.04 0.00 2.00 0.00 0.00 58.73 60.75 1nfh h TYR 16 Cb 0.04 -0.20 -0.01 0.00 1.00 0.00 0.00 36.73 37.56 1nfh h TYR 16 CO -0.00 0.92 0.00 -0.39 -0.00 0.00 0.00 178.16 178.70 1nfh h VAL 17 N 0.55 1.25 -0.57 -2.88 -1.51 -1.26 -0.07 116.25 111.76 1nfh h VAL 17 Ca 0.09 -0.88 0.10 0.00 -1.23 0.00 0.00 66.70 64.78 1nfh h VAL 17 Cb 0.68 1.37 -0.11 0.00 -2.13 0.00 0.00 31.29 31.10 1nfh h VAL 17 CO 0.05 0.27 -0.34 0.25 -1.23 0.00 0.00 177.57 176.58 1nfh h LEU 18 N 0.18 -1.16 -1.48 4.19 7.12 -0.56 0.49 115.31 124.10 1nfh h LEU 18 Ca 0.07 0.22 -0.02 0.00 0.13 0.00 0.00 57.88 58.28 1nfh h LEU 18 Cb 0.40 0.57 -0.02 0.00 -0.53 0.00 0.00 40.66 41.08 1nfh h LEU 18 CO 0.01 -0.31 0.12 0.00 -0.13 0.00 0.00 178.44 178.14 1nfh h ALA 19 N 0.96 1.59 0.29 1.25 0.00 -0.50 0.31 119.26 123.16 1nfh h ALA 19 Ca 0.22 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1nfh h ALA 19 Cb 0.55 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1nfh h ALA 19 CO -0.66 0.32 -0.14 1.15 0.00 0.00 0.00 179.25 179.92 1nfh h THR 20 N 0.47 0.68 0.08 0.00 2.02 0.15 -1.10 112.91 115.21 1nfh h THR 20 Ca 0.12 -0.74 0.01 0.00 0.77 0.00 0.00 66.41 66.57 1nfh h THR 20 Cb 0.12 1.03 -0.05 0.00 -1.74 0.00 0.00 68.15 67.51 1nfh h THR 20 CO -0.01 0.13 -0.50 -0.07 0.37 0.00 0.00 175.52 175.44 1nfh h LEU 21 N -0.82 -1.53 -0.77 2.58 3.38 0.07 -0.49 115.31 117.73 1nfh h LEU 21 Ca -0.04 0.16 0.16 0.00 0.09 0.00 0.00 57.88 58.25 1nfh h LEU 21 Cb 0.51 0.57 -0.14 0.00 0.09 0.00 0.00 40.66 41.69 1nfh h LEU 21 CO 0.06 -0.52 -0.16 0.74 0.09 0.00 0.00 178.44 178.66 1nfh h THR 22 N -0.69 0.24 0.10 0.22 2.02 -0.44 0.33 112.91 114.69 1nfh h THR 22 Ca -0.00 -0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1nfh h THR 22 Cb 0.71 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 1nfh h THR 22 CO -0.29 0.00 -0.31 -0.61 0.37 0.00 0.00 175.52 174.68 1nfh h GLN 23 N 0.01 -0.50 -0.52 6.66 5.75 -0.04 -1.97 115.11 124.50 1nfh h GLN 23 Ca 0.38 0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.91 1nfh h GLN 23 Cb 0.60 0.11 -0.03 0.00 1.07 0.00 0.00 27.48 29.24 1nfh h GLN 23 CO -0.78 -0.34 0.28 -0.07 -2.65 0.00 0.00 178.83 175.28 1nfh h LEU 24 N -0.52 0.63 -0.46 -2.39 3.38 0.29 -2.91 115.31 113.33 1nfh h LEU 24 Ca 0.04 -0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1nfh h LEU 24 Cb 0.56 -0.16 -0.10 0.00 0.09 0.00 0.00 40.66 41.05 1nfh h LEU 24 CO -0.20 0.51 -0.27 -1.13 0.09 0.00 0.00 178.44 177.44 1nfh h ASN 25 N 0.72 -0.91 0.00 -0.43 -0.00 0.39 0.88 115.58 116.22 1nfh h ASN 25 Ca 0.18 0.19 0.00 0.00 -0.00 0.00 0.00 56.30 56.67 1nfh h ASN 25 Cb 0.02 0.46 0.00 0.00 -0.00 0.00 0.00 38.32 38.80 1nfh h ASN 25 CO -0.03 -0.28 0.00 -0.62 -0.00 0.00 0.00 177.43 176.50 1nfh n GLU 26 N -5.41 0.12 -2.42 6.67 4.71 -1.10 -4.70 120.64 118.51 1nfh n GLU 26 Ca 0.03 0.00 -0.06 0.00 -0.01 0.00 0.00 57.16 57.12 1nfh n GLU 26 Cb 0.33 -1.01 0.03 0.00 -1.01 0.00 0.00 31.44 29.78 1nfh n GLU 26 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1nfh n GLY 27 N -0.22 0.12 3.72 0.62 0.00 0.29 -4.99 105.19 104.72 1nfh n GLY 27 Ca 0.00 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 1nfh n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nfh s ALA 28 N -3.15 3.27 0.13 4.61 0.00 -1.11 -4.96 121.76 120.56 1nfh s ALA 28 Ca 0.07 0.39 -0.22 0.00 0.00 0.00 0.00 51.96 52.20 1nfh s ALA 28 Cb -0.01 -3.16 -0.02 0.00 0.00 0.00 0.00 23.12 19.93 1nfh s ALA 28 CO 0.29 -0.09 1.66 -0.44 0.00 0.00 0.00 175.76 177.18 1nfh h ASP 29 N 6.28 -0.50 -2.24 0.00 5.19 -1.93 -3.44 116.42 119.79 1nfh h ASP 29 Ca -0.42 0.09 0.11 0.00 -0.62 0.00 0.00 57.03 56.19 1nfh h ASP 29 Cb 1.21 0.23 -0.25 0.00 0.18 0.00 0.00 39.33 40.70 1nfh h ASP 29 CO 0.73 -0.21 0.29 -1.83 -3.12 0.00 0.00 179.24 175.10 1nfh s GLU 30 N -6.14 0.41 0.18 3.56 -1.05 -1.26 -4.32 118.70 110.07 1nfh s GLU 30 Ca -0.14 0.77 -0.18 0.00 -0.15 0.00 0.00 54.97 55.27 1nfh s GLU 30 Cb 0.10 0.20 -0.08 0.00 -0.44 0.00 0.00 34.13 33.91 1nfh s GLU 30 CO 0.68 -0.10 0.64 0.08 0.95 0.00 0.00 175.26 177.51 1nfh s VAL 31 N 1.68 4.69 -0.26 1.83 1.01 -0.68 -4.73 120.40 123.94 1nfh s VAL 31 Ca -0.08 1.11 0.01 0.00 0.00 0.00 0.00 61.98 63.02 1nfh s VAL 31 Cb -0.05 -3.82 0.05 0.00 0.00 0.00 0.00 36.38 32.57 1nfh s VAL 31 CO -0.16 0.26 -0.08 -0.69 0.00 0.00 0.00 175.10 174.42 1nfh s VAL 32 N -1.46 2.47 -0.19 2.92 1.01 -1.26 -0.58 120.40 123.31 1nfh s VAL 32 Ca 0.40 -1.45 -0.17 0.00 0.00 0.00 0.00 61.98 60.76 1nfh s VAL 32 Cb -0.16 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 1nfh s VAL 32 CO 0.20 0.02 0.47 -0.63 0.00 0.00 0.00 175.10 175.16 1nfh s ILE 33 N 1.18 5.15 0.12 2.22 1.01 0.11 0.43 121.20 131.42 1nfh s ILE 33 Ca -0.06 0.86 0.07 0.00 0.00 0.00 0.00 60.65 61.53 1nfh s ILE 33 Cb -0.19 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 1nfh s ILE 33 CO -0.04 0.23 -0.17 -0.54 0.00 0.00 0.00 174.94 174.41 1nfh s LYS 34 N 1.35 1.08 0.14 2.79 1.02 -0.71 0.58 119.74 125.98 1nfh s LYS 34 Ca 0.23 -1.20 -0.25 0.00 0.02 0.00 0.00 55.97 54.76 1nfh s LYS 34 Cb -0.15 -1.16 0.07 0.00 -0.52 0.00 0.00 37.83 36.07 1nfh s LYS 34 CO 0.09 0.25 1.03 0.00 -0.92 0.00 0.00 175.35 175.80 1nfh s ALA 35 N -1.62 -1.73 0.09 5.17 0.00 -0.60 -1.09 121.76 121.98 1nfh s ALA 35 Ca 0.08 0.11 -0.08 0.00 0.00 0.00 0.00 51.96 52.07 1nfh s ALA 35 Cb -0.08 0.62 -0.01 0.00 0.00 0.00 0.00 23.12 23.66 1nfh s ALA 35 CO 0.04 -1.05 0.17 -0.98 0.00 0.00 0.00 175.76 173.94 1nfh s ARG 36 N -2.93 0.84 3.05 0.00 1.70 -1.26 -0.57 118.95 119.77 1nfh s ARG 36 Ca 0.15 -1.02 0.00 0.00 -0.47 0.00 0.00 55.73 54.39 1nfh s ARG 36 Cb -0.01 0.33 0.00 0.00 -0.57 0.00 0.00 34.95 34.70 1nfh s ARG 36 CO 0.02 -0.26 0.00 0.41 -1.08 0.00 0.00 175.30 174.39 1nfh n GLY 37 N -0.05 1.06 0.34 3.88 0.00 -0.82 -1.78 105.19 107.82 1nfh n GLY 37 Ca -0.14 -0.59 0.15 0.00 0.00 0.00 0.00 46.02 45.45 1nfh n GLY 37 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1nfh h ARG 38 N 0.00 0.00 0.00 1.61 2.47 -2.00 0.16 114.38 116.62 1nfh h ARG 38 Ca 0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 1nfh h ARG 38 Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1nfh h ARG 38 CO 0.00 0.00 -0.06 0.00 0.56 0.00 0.00 179.97 180.47 1nfh h ALA 39 N 1.32 1.06 -0.90 0.04 0.00 -1.70 -3.10 119.26 115.97 1nfh h ALA 39 Ca 0.02 -0.06 0.22 0.00 0.00 0.00 0.00 54.91 55.09 1nfh h ALA 39 Cb 0.74 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.40 1nfh h ALA 39 CO -0.00 0.08 0.41 0.82 0.00 0.00 0.00 179.25 180.56 1nfh h ILE 40 N 0.00 0.48 -0.29 0.00 2.04 -0.70 0.31 117.51 119.35 1nfh h ILE 40 Ca -0.00 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.73 1nfh h ILE 40 Cb 0.44 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 1nfh h ILE 40 CO 0.01 0.08 0.19 0.77 0.00 0.00 0.00 178.15 179.19 1nfh h SER 41 N 0.41 0.28 0.64 1.72 4.64 -1.76 -1.91 113.55 117.57 1nfh h SER 41 Ca 0.56 -0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 61.68 1nfh h SER 41 Cb 1.07 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 1nfh h SER 41 CO -0.52 0.20 -0.90 0.03 -0.87 0.00 0.00 176.83 174.77 1nfh h ARG 42 N 0.33 0.16 -0.70 4.77 3.08 -0.61 -1.85 114.38 119.55 1nfh h ARG 42 Ca 0.11 -0.19 0.06 0.00 0.07 0.00 0.00 59.98 60.03 1nfh h ARG 42 Cb 0.05 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.10 1nfh h ARG 42 CO -0.02 0.95 0.41 0.00 -1.07 0.00 0.00 179.97 180.23 1nfh h ALA 43 N 0.98 0.94 0.33 0.04 0.00 -0.77 0.17 119.26 120.94 1nfh h ALA 43 Ca -0.04 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1nfh h ALA 43 Cb 1.54 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1nfh h ALA 43 CO 0.13 0.10 -0.16 0.28 0.00 0.00 0.00 179.25 179.61 1nfh h VAL 44 N 0.75 0.69 -0.88 0.00 2.07 -1.40 -2.12 116.25 115.35 1nfh h VAL 44 Ca 0.31 -0.45 0.23 0.00 0.82 0.00 0.00 66.70 67.61 1nfh h VAL 44 Cb 0.16 0.92 -0.14 0.00 -1.52 0.00 0.00 31.29 30.72 1nfh h VAL 44 CO -0.17 0.09 0.30 0.44 0.02 0.00 0.00 177.57 178.25 1nfh h ASP 45 N -0.69 0.12 -0.45 0.57 3.32 -0.77 0.26 116.42 118.77 1nfh h ASP 45 Ca -0.04 0.18 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 1nfh h ASP 45 Cb 0.48 0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.23 1nfh h ASP 45 CO 0.07 -0.11 0.08 0.58 -1.72 0.00 0.00 179.24 178.15 1nfh h VAL 46 N 0.27 1.23 -0.18 -1.35 2.07 -0.46 0.49 116.25 118.33 1nfh h VAL 46 Ca 0.56 -0.87 -0.21 0.00 0.82 0.00 0.00 66.70 67.00 1nfh h VAL 46 Cb 1.12 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1nfh h VAL 46 CO -0.61 0.32 -0.70 0.00 0.02 0.00 0.00 177.57 176.59 1nfh h ALA 47 N 1.32 0.41 0.10 1.67 0.00 0.12 -1.99 119.26 120.89 1nfh h ALA 47 Ca 0.16 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1nfh h ALA 47 Cb 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1nfh h ALA 47 CO 0.01 0.69 -0.05 0.93 0.00 0.00 0.00 179.25 180.83 1nfh h GLU 48 N 0.53 -0.13 -0.96 0.00 4.39 -0.96 -0.97 114.58 116.49 1nfh h GLU 48 Ca -0.03 0.01 0.19 0.00 0.34 0.00 0.00 59.36 59.87 1nfh h GLU 48 Cb 1.31 0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 29.89 1nfh h GLU 48 CO 0.14 0.31 0.55 0.82 -1.16 0.00 0.00 179.01 179.67 1nfh h ILE 49 N -0.61 0.68 -0.15 3.13 2.04 -0.97 0.55 117.51 122.17 1nfh h ILE 49 Ca -0.01 -0.24 -0.13 0.00 1.00 0.00 0.00 64.86 65.48 1nfh h ILE 49 Cb 0.49 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1nfh h ILE 49 CO 0.02 0.13 -0.40 0.58 0.00 0.00 0.00 178.15 178.47 1nfh h VAL 50 N 0.69 1.35 0.00 1.67 2.07 -1.21 -2.87 116.25 117.94 1nfh h VAL 50 Ca 0.56 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 66.40 1nfh h VAL 50 Cb 0.88 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1nfh h VAL 50 CO -0.40 0.51 -1.03 -2.11 0.02 0.00 0.00 177.57 174.56 1nfh n ARG 51 N -4.28 0.49 -0.78 1.57 1.85 -0.38 -0.83 116.66 114.31 1nfh n ARG 51 Ca -0.07 0.06 0.01 0.00 -1.00 0.00 0.00 57.85 56.86 1nfh n ARG 51 Cb 0.54 -1.73 0.29 0.00 -1.05 0.00 0.00 32.46 30.51 1nfh n ARG 51 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1nfh n ASN 52 N -2.40 4.31 0.02 2.89 5.03 0.19 -3.50 115.26 121.80 1nfh n ASN 52 Ca 0.01 -3.19 0.00 0.00 0.87 0.00 0.00 54.58 52.26 1nfh n ASN 52 Cb 0.51 -0.65 0.00 0.00 -1.02 0.00 0.00 39.78 38.62 1nfh n ASN 52 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 1nfh n ARG 53 N -0.32 0.00 -0.03 3.52 0.63 -1.14 -4.91 116.66 114.41 1nfh n ARG 53 Ca 0.31 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 57.09 1nfh n ARG 53 Cb 1.14 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 33.92 1nfh n ARG 53 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1nfh n PHE 54 N -2.46 0.88 -3.20 -0.14 3.72 -1.10 -4.64 117.46 110.53 1nfh n PHE 54 Ca 0.00 0.23 -0.22 0.00 -0.05 0.00 0.00 57.45 57.41 1nfh n PHE 54 Cb 0.00 -1.13 -0.06 0.00 -0.94 0.00 0.00 39.48 37.35 1nfh n PHE 54 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 176.76 176.59 1nfh n MET 55 N -3.24 0.99 -1.66 -1.08 1.56 -0.01 -5.06 117.12 108.62 1nfh n MET 55 Ca -0.29 -3.42 -0.49 0.00 -0.27 0.00 0.00 57.70 53.23 1nfh n MET 55 Cb 1.05 -1.47 -0.05 0.00 2.15 0.00 0.00 33.22 34.90 1nfh n MET 55 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 1nfh n PRO 56 N 0.94 1.80 0.00 2.12 -0.04 -1.25 -2.27 135.00 136.31 1nfh n PRO 56 Ca 0.23 0.65 0.00 0.00 -0.04 0.00 0.00 63.50 64.35 1nfh n PRO 56 Cb 0.56 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 1nfh n PRO 56 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nfh n GLY 57 N 3.46 2.05 3.69 0.55 0.00 -1.23 -5.07 105.19 108.63 1nfh n GLY 57 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1nfh n GLY 57 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1nfh n VAL 58 N -0.68 3.27 -4.90 1.61 0.31 -0.96 -4.95 118.33 112.03 1nfh n VAL 58 Ca 0.00 -0.50 -0.31 0.00 -0.01 0.00 0.00 64.34 63.52 1nfh n VAL 58 Cb 0.00 -1.46 -0.14 0.00 -0.91 0.00 0.00 33.84 31.33 1nfh n VAL 58 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1nfh s LYS 59 N -2.56 1.97 -0.96 5.55 1.02 0.95 -4.89 119.74 120.83 1nfh s LYS 59 Ca 0.69 -1.02 -0.23 0.00 0.02 0.00 0.00 55.97 55.43 1nfh s LYS 59 Cb -0.46 -2.07 0.06 0.00 -0.52 0.00 0.00 37.83 34.84 1nfh s LYS 59 CO 0.52 0.54 1.35 0.08 -0.92 0.00 0.00 175.35 176.92 1nfh s VAL 60 N -0.80 4.07 0.48 3.17 1.01 -1.26 0.56 120.40 127.63 1nfh s VAL 60 Ca 0.12 -0.78 0.15 0.00 0.00 0.00 0.00 61.98 61.46 1nfh s VAL 60 Cb -0.10 -4.98 0.23 0.00 0.00 0.00 0.00 36.38 31.53 1nfh s VAL 60 CO 0.02 -1.83 2.07 0.50 0.00 0.00 0.00 175.10 175.86 1nfh h LYS 61 N 9.62 0.03 -1.37 2.72 1.63 -0.84 -3.46 116.57 124.91 1nfh h LYS 61 Ca 0.12 -0.00 0.24 0.00 -0.85 0.00 0.00 60.65 60.16 1nfh h LYS 61 Cb 1.02 -0.01 -0.21 0.00 -0.60 0.00 0.00 32.23 32.43 1nfh h LYS 61 CO 1.34 0.11 0.83 -2.00 -3.45 0.00 0.00 179.45 176.28 1nfh s GLU 62 N -4.89 0.26 -0.03 1.90 2.12 -1.19 -5.00 118.70 111.87 1nfh s GLU 62 Ca -0.05 -0.06 -0.00 0.00 0.36 0.00 0.00 54.97 55.22 1nfh s GLU 62 Cb 0.16 0.12 0.03 0.00 0.26 0.00 0.00 34.13 34.70 1nfh s GLU 62 CO 0.69 -0.11 0.02 0.42 -0.54 0.00 0.00 175.26 175.74 1nfh s ILE 63 N -2.02 0.05 -0.05 -3.70 1.01 -1.26 -0.34 121.20 114.89 1nfh s ILE 63 Ca 0.09 0.20 0.05 0.00 0.00 0.00 0.00 60.65 60.99 1nfh s ILE 63 Cb -0.01 -0.19 -0.01 0.00 0.01 0.00 0.00 42.46 42.26 1nfh s ILE 63 CO -0.05 0.14 -0.20 -0.54 0.00 0.00 0.00 174.94 174.30 1nfh s LYS 64 N 1.31 2.03 0.07 2.79 1.02 0.12 -4.95 119.74 122.13 1nfh s LYS 64 Ca -0.06 -0.70 0.10 0.00 0.02 0.00 0.00 55.97 55.33 1nfh s LYS 64 Cb -0.13 -1.74 -0.03 0.00 -0.52 0.00 0.00 37.83 35.41 1nfh s LYS 64 CO -0.03 0.28 -0.26 0.96 -0.92 0.00 0.00 175.35 175.39 1nfh s ILE 65 N -0.01 2.22 0.25 2.17 -4.36 -1.26 0.32 121.20 120.53 1nfh s ILE 65 Ca -0.04 -1.47 -0.22 0.00 -0.26 0.00 0.00 60.65 58.66 1nfh s ILE 65 Cb -0.12 -1.90 0.03 0.00 1.25 0.00 0.00 42.46 41.72 1nfh s ILE 65 CO 0.03 0.30 0.73 -0.62 0.24 0.00 0.00 174.94 175.61 1nfh s ASP 66 N -1.46 -0.28 0.02 4.36 -1.08 -0.88 -4.97 116.67 112.38 1nfh s ASP 66 Ca 0.13 -0.53 0.03 0.00 -0.52 0.00 0.00 52.55 51.66 1nfh s ASP 66 Cb -0.10 0.69 -0.03 0.00 -1.46 0.00 0.00 42.92 42.02 1nfh s ASP 66 CO 0.03 -1.27 -0.05 -0.89 0.52 0.00 0.00 175.17 173.51 1nfh s THR 67 N -3.84 3.75 -0.08 1.71 2.01 -1.26 0.11 115.64 118.04 1nfh s THR 67 Ca 0.10 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.33 1nfh s THR 67 Cb -0.05 -2.66 0.01 0.00 0.01 0.00 0.00 72.50 69.81 1nfh s THR 67 CO 0.04 0.35 -0.14 -0.70 -0.69 0.00 0.00 174.62 173.48 1nfh s GLU 68 N -1.56 2.00 0.38 4.92 2.12 -0.42 -4.93 118.70 121.20 1nfh s GLU 68 Ca 0.18 -0.51 -0.24 0.00 0.36 0.00 0.00 54.97 54.77 1nfh s GLU 68 Cb -0.11 -1.63 -0.10 0.00 0.26 0.00 0.00 34.13 32.54 1nfh s GLU 68 CO 0.09 0.03 0.96 -1.21 -0.54 0.00 0.00 175.26 174.59 1nfh s GLU 69 N 0.69 4.38 0.24 4.30 8.01 -1.26 -2.06 118.70 133.00 1nfh s GLU 69 Ca -0.14 1.27 0.01 0.00 0.01 0.00 0.00 54.97 56.13 1nfh s GLU 69 Cb -0.16 -2.51 -0.04 0.00 -4.31 0.00 0.00 34.13 27.11 1nfh s GLU 69 CO 0.03 0.09 0.17 -0.51 0.01 0.00 0.00 175.26 175.06 1nfh s LEU 70 N -2.60 1.33 -0.92 1.80 1.43 0.21 -4.92 118.68 115.01 1nfh s LEU 70 Ca 0.56 -1.49 -0.09 0.00 -1.03 0.00 0.00 54.13 52.08 1nfh s LEU 70 Cb -0.15 0.42 0.23 0.00 0.03 0.00 0.00 46.19 46.72 1nfh s LEU 70 CO 0.20 -0.90 0.86 -1.61 0.23 0.00 0.00 176.35 175.13 1nfh s GLU 71 N -3.96 3.66 0.00 1.70 0.41 -1.26 -3.38 118.70 115.87 1nfh s GLU 71 Ca 0.39 -2.86 0.00 0.00 -0.41 0.00 0.00 54.97 52.09 1nfh s GLU 71 Cb 0.06 -4.33 0.00 0.00 -1.78 0.00 0.00 34.13 28.08 1nfh s GLU 71 CO 0.16 -1.26 0.06 -1.13 -0.49 0.00 0.00 175.26 172.61 1nfh n SER 72 N 3.23 0.00 0.00 -0.19 3.41 -1.18 -4.90 113.62 113.98 1nfh n SER 72 Ca 0.18 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1nfh n SER 72 Cb 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1nfh n SER 72 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1nfh n GLU 73 N -0.21 0.00 0.00 4.33 4.07 -1.26 -4.91 120.64 122.66 1nfh n GLU 73 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1nfh n GLU 73 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1nfh n GLU 73 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1nfh n GLN 74 N -1.74 0.26 -0.75 5.31 1.13 -1.26 -4.64 117.38 115.69 1nfh n GLN 74 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1nfh n GLN 74 Cb 0.00 -1.07 0.00 0.00 0.11 0.00 0.00 30.24 29.28 1nfh n GLN 74 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nfh n GLY 75 N 0.08 0.60 3.95 1.08 0.00 -1.26 -5.06 105.19 104.58 1nfh n GLY 75 Ca 0.00 -0.23 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 1nfh n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nfh s ARG 76 N -0.59 2.14 0.20 1.61 1.81 -1.26 -4.94 118.95 117.91 1nfh s ARG 76 Ca 0.00 -0.49 -0.30 0.00 -1.72 0.00 0.00 55.73 53.22 1nfh s ARG 76 Cb 0.00 -2.25 -0.08 0.00 -0.45 0.00 0.00 34.95 32.17 1nfh s ARG 76 CO 0.00 -1.20 1.12 0.50 -0.68 0.00 0.00 175.30 175.05 1nfh s ARG 77 N -5.15 4.57 0.07 3.54 3.52 -1.26 -3.13 118.95 121.11 1nfh s ARG 77 Ca 0.61 1.77 -0.21 0.00 -0.13 0.00 0.00 55.73 57.77 1nfh s ARG 77 Cb -0.10 -3.25 0.05 0.00 -1.56 0.00 0.00 34.95 30.09 1nfh s ARG 77 CO 0.43 0.06 0.49 0.45 -0.81 0.00 0.00 175.30 175.92 1nfh s SER 78 N -0.17 -0.39 0.09 -2.12 0.15 -1.22 -4.79 113.70 105.25 1nfh s SER 78 Ca 0.49 0.06 -0.26 0.00 0.70 0.00 0.00 55.95 56.95 1nfh s SER 78 Cb -0.31 0.49 0.08 0.00 -1.71 0.00 0.00 66.02 64.57 1nfh s SER 78 CO 0.36 -0.75 0.86 0.54 1.20 0.00 0.00 173.24 175.46 1nfh s ASN 79 N -2.15 -0.32 0.02 5.45 2.20 -1.26 0.64 114.94 119.52 1nfh s ASN 79 Ca -0.04 -0.18 -0.03 0.00 -0.94 0.00 0.00 52.86 51.68 1nfh s ASN 79 Cb -0.00 0.47 -0.02 0.00 -2.00 0.00 0.00 41.25 39.70 1nfh s ASN 79 CO -0.04 -0.81 0.03 0.54 -2.94 0.00 0.00 177.10 173.88 1nfh s VAL 80 N -3.32 0.12 0.56 3.54 0.11 -0.87 -4.97 120.40 115.57 1nfh s VAL 80 Ca 0.07 -0.98 -0.16 0.00 -2.93 0.00 0.00 61.98 57.99 1nfh s VAL 80 Cb -0.01 -0.53 -0.06 0.00 -1.53 0.00 0.00 36.38 34.25 1nfh s VAL 80 CO -0.05 -0.54 1.02 -0.44 -3.33 0.00 0.00 175.10 171.77 1nfh s SER 81 N -1.70 6.19 0.19 3.54 0.01 -1.26 -1.30 113.70 119.38 1nfh s SER 81 Ca -0.12 1.68 0.04 0.00 1.31 0.00 0.00 55.95 58.87 1nfh s SER 81 Cb -0.06 -2.52 -0.05 0.00 0.21 0.00 0.00 66.02 63.60 1nfh s SER 81 CO -0.02 -0.88 -0.06 0.42 0.41 0.00 0.00 173.24 173.11 1nfh s THR 82 N -2.56 1.17 -0.02 1.44 -4.23 0.30 -1.94 115.64 109.80 1nfh s THR 82 Ca 0.61 -2.06 -0.02 0.00 -1.18 0.00 0.00 61.69 59.03 1nfh s THR 82 Cb -0.13 -2.10 0.00 0.00 1.34 0.00 0.00 72.50 71.61 1nfh s THR 82 CO 0.35 -0.53 0.06 -0.51 -0.54 0.00 0.00 174.62 173.45 1nfh s ILE 83 N -3.33 0.01 -0.12 2.99 2.07 0.26 -2.07 121.20 121.01 1nfh s ILE 83 Ca 0.23 -0.08 -0.00 0.00 -1.41 0.00 0.00 60.65 59.38 1nfh s ILE 83 Cb 0.04 -0.12 0.03 0.00 0.13 0.00 0.00 42.46 42.53 1nfh s ILE 83 CO 0.05 -0.04 -0.07 -1.61 -1.91 0.00 0.00 174.94 171.36 1nfh s GLU 84 N -0.10 1.48 -0.25 3.50 2.02 0.15 -1.56 118.70 123.94 1nfh s GLU 84 Ca -0.01 -0.28 -0.04 0.00 0.02 0.00 0.00 54.97 54.65 1nfh s GLU 84 Cb -0.01 -1.63 0.00 0.00 0.10 0.00 0.00 34.13 32.59 1nfh s GLU 84 CO 0.00 -0.29 -0.00 0.42 0.02 0.00 0.00 175.26 175.41 1nfh s ILE 85 N 1.71 3.49 -0.41 -1.63 1.01 0.19 0.16 121.20 125.72 1nfh s ILE 85 Ca 0.04 -0.66 -0.17 0.00 0.00 0.00 0.00 60.65 59.87 1nfh s ILE 85 Cb -0.13 -2.70 0.02 0.00 0.01 0.00 0.00 42.46 39.66 1nfh s ILE 85 CO -0.08 0.26 0.41 -0.69 0.00 0.00 0.00 174.94 174.83 1nfh s VAL 86 N 1.46 5.12 -0.13 2.92 1.01 0.53 0.09 120.40 131.41 1nfh s VAL 86 Ca 0.04 -0.38 -0.12 0.00 0.00 0.00 0.00 61.98 61.52 1nfh s VAL 86 Cb -0.16 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 1nfh s VAL 86 CO -0.01 -0.38 0.25 -0.76 0.00 0.00 0.00 175.10 174.20 1nfh s LEU 87 N 2.04 4.31 -0.03 3.92 1.43 0.25 -0.09 118.68 130.52 1nfh s LEU 87 Ca 0.11 0.54 0.03 0.00 -1.03 0.00 0.00 54.13 53.78 1nfh s LEU 87 Cb -0.17 -2.30 -0.00 0.00 0.03 0.00 0.00 46.19 43.74 1nfh s LEU 87 CO 0.13 0.22 -0.12 0.00 0.23 0.00 0.00 176.35 176.80 1nfh s ALA 88 N -0.16 1.12 -2.00 4.21 0.00 0.19 -1.69 121.76 123.43 1nfh s ALA 88 Ca 0.16 -0.49 0.14 0.00 0.00 0.00 0.00 51.96 51.77 1nfh s ALA 88 Cb -0.13 -0.37 0.85 0.00 0.00 0.00 0.00 23.12 23.47 1nfh s ALA 88 CO 0.05 0.21 1.27 1.17 0.00 0.00 0.00 175.76 178.46