#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1chh n GLU -4 N 0.00 0.00 -3.81 1.09 1.02 -1.26 -5.05 120.64 112.63 1chh n GLU -4 Ca 0.00 -0.41 -0.14 0.00 -0.02 0.00 0.00 57.16 56.59 1chh n GLU -4 Cb 0.00 -0.17 -0.15 0.00 -0.02 0.00 0.00 31.44 31.10 1chh n GLU -4 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1chh s PHE -3 N 0.00 0.00 0.00 -0.32 5.36 -1.26 -5.05 117.98 116.71 1chh s PHE -3 Ca 0.00 0.11 0.00 0.00 -0.96 0.00 0.00 56.93 56.08 1chh s PHE -3 Cb 0.01 -0.13 -0.00 0.00 -0.34 0.00 0.00 43.02 42.56 1chh s PHE -3 CO -0.00 -0.06 -0.00 0.15 -1.46 0.00 0.00 175.22 173.84 1chh s LYS -2 N 0.63 0.05 0.34 10.12 1.02 -1.26 -5.10 119.74 125.54 1chh s LYS -2 Ca -0.05 -0.07 -0.29 0.00 0.02 0.00 0.00 55.97 55.58 1chh s LYS -2 Cb -0.07 -0.00 -0.11 0.00 -0.52 0.00 0.00 37.83 37.12 1chh s LYS -2 CO -0.02 -0.00 1.55 0.00 -0.92 0.00 0.00 175.35 175.96 1chh s ALA -1 N -0.16 3.66 0.00 5.17 0.00 -1.26 -4.79 121.76 124.37 1chh s ALA -1 Ca -0.02 1.60 0.00 0.00 0.00 0.00 0.00 51.96 53.54 1chh s ALA -1 Cb -0.01 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1chh s ALA -1 CO -0.00 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.12 1chh n GLY 1 N 1.17 6.60 3.73 0.00 0.00 -1.25 -4.99 105.19 110.45 1chh n GLY 1 Ca 0.04 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.81 1chh n GLY 1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1chh s SER 2 N 1.00 7.45 0.04 1.61 0.15 -1.26 -4.88 113.70 117.80 1chh s SER 2 Ca 0.00 1.73 -0.00 0.00 0.70 0.00 0.00 55.95 58.38 1chh s SER 2 Cb 0.00 -2.56 -0.26 0.00 -1.71 0.00 0.00 66.02 61.48 1chh s SER 2 CO 0.00 -0.04 0.99 0.00 1.20 0.00 0.00 173.24 175.38 1chh h ALA 3 N 5.54 0.29 -0.22 5.45 0.00 -1.87 -2.23 119.26 126.22 1chh h ALA 3 Ca -0.43 -1.05 0.02 0.00 0.00 0.00 0.00 54.91 53.44 1chh h ALA 3 Cb 1.21 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1chh h ALA 3 CO 0.71 1.16 0.10 0.87 0.00 0.00 0.00 179.25 182.10 1chh h LYS 4 N 0.05 0.22 -0.11 0.00 1.57 -1.92 -0.22 116.57 116.16 1chh h LYS 4 Ca -0.18 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.45 1chh h LYS 4 Cb 1.96 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 34.21 1chh h LYS 4 CO 0.16 0.14 -0.53 -0.22 -0.57 0.00 0.00 179.45 178.44 1chh h LYS 5 N 0.22 0.31 -0.66 3.15 3.64 -1.92 -3.13 116.57 118.18 1chh h LYS 5 Ca 0.09 -0.19 -0.06 0.00 -1.27 0.00 0.00 60.65 59.23 1chh h LYS 5 Cb 0.03 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 1chh h LYS 5 CO -0.07 0.76 0.19 0.78 -2.27 0.00 0.00 179.45 178.85 1chh h GLY 6 N 1.31 1.12 1.53 5.01 0.00 -1.06 -2.62 103.07 108.36 1chh h GLY 6 Ca 0.01 -0.68 -0.07 0.00 0.00 0.00 0.00 47.33 46.58 1chh h GLY 6 CO 0.09 0.63 -0.11 0.00 0.00 0.00 0.00 176.54 177.15 1chh h ALA 7 N 1.08 1.19 0.00 3.60 0.00 -0.99 -1.77 119.26 122.37 1chh h ALA 7 Ca 0.21 -0.28 -0.22 0.00 0.00 0.00 0.00 54.91 54.62 1chh h ALA 7 Cb 0.32 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1chh h ALA 7 CO -0.00 0.52 -1.27 1.79 0.00 0.00 0.00 179.25 180.28 1chh h THR 8 N 0.52 1.11 -0.25 0.00 1.35 -1.53 -1.35 112.91 112.76 1chh h THR 8 Ca 0.10 -2.80 -0.14 0.00 -0.55 0.00 0.00 66.41 63.01 1chh h THR 8 Cb 0.50 2.52 -0.01 0.00 -1.73 0.00 0.00 68.15 69.43 1chh h THR 8 CO 0.03 0.63 -0.42 -0.07 -0.25 0.00 0.00 175.52 175.44 1chh h LEU 9 N 0.00 0.65 -0.04 3.87 3.38 -1.33 -0.54 115.31 121.31 1chh h LEU 9 Ca -0.14 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 1chh h LEU 9 Cb 1.79 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 42.36 1chh h LEU 9 CO 0.09 0.99 0.01 0.15 0.09 0.00 0.00 178.44 179.77 1chh h PHE 10 N 0.50 0.07 0.08 1.13 3.04 -1.26 0.66 116.94 121.17 1chh h PHE 10 Ca 0.04 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.98 1chh h PHE 10 Cb 0.94 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.43 1chh h PHE 10 CO 0.04 0.31 -0.04 0.87 -2.02 0.00 0.00 178.31 177.47 1chh h LYS 11 N -0.18 -0.10 0.00 1.11 1.57 -1.17 0.20 116.57 118.00 1chh h LYS 11 Ca 0.01 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1chh h LYS 11 Cb 0.28 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1chh h LYS 11 CO 0.00 -0.07 -0.21 1.79 -0.57 0.00 0.00 179.45 180.39 1chh h THR 12 N -0.11 0.56 0.00 -0.16 1.35 -0.94 -3.28 112.91 110.32 1chh h THR 12 Ca -0.01 -1.04 0.00 0.00 -0.55 0.00 0.00 66.41 64.81 1chh h THR 12 Cb 0.09 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1chh h THR 12 CO 0.02 0.21 -0.12 0.54 -0.25 0.00 0.00 175.52 175.92 1chh n ARG 13 N -3.42 4.98 0.00 4.72 5.12 0.23 -4.90 116.66 123.38 1chh n ARG 13 Ca -0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1chh n ARG 13 Cb 0.40 -0.47 0.00 0.00 -1.16 0.00 0.00 32.46 31.23 1chh n ARG 13 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1chh h LEU 15 N 0.00 0.02 -1.35 0.00 5.85 -1.14 -1.91 115.31 116.77 1chh h LEU 15 Ca 0.00 -0.00 0.17 0.00 0.84 0.00 0.00 57.88 58.89 1chh h LEU 15 Cb 0.43 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.38 1chh h LEU 15 CO 0.00 0.01 0.58 -0.61 -0.34 0.00 0.00 178.44 178.08 1chh h GLN 16 N 0.02 0.57 -0.00 1.25 4.15 -1.86 -3.17 115.11 116.07 1chh h GLN 16 Ca 0.04 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1chh h GLN 16 Cb 0.14 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.70 1chh h GLN 16 CO -0.00 0.38 -0.02 0.00 -1.93 0.00 0.00 178.83 177.25 1chh s HIS 18 N -0.67 0.24 0.29 0.00 3.76 -0.76 0.28 115.29 118.43 1chh s HIS 18 Ca 0.01 -0.54 0.10 0.00 -0.15 0.00 0.00 55.06 54.48 1chh s HIS 18 Cb 0.01 -0.18 -0.05 0.00 1.11 0.00 0.00 32.58 33.47 1chh s HIS 18 CO 0.03 -0.30 -0.06 0.95 -0.85 0.00 0.00 174.74 174.51 1chh s THR 19 N -2.21 2.92 0.00 1.30 -4.23 -1.26 -4.30 115.64 107.86 1chh s THR 19 Ca -0.09 -2.09 0.00 0.00 -1.18 0.00 0.00 61.69 58.34 1chh s THR 19 Cb -0.04 -2.66 0.00 0.00 1.34 0.00 0.00 72.50 71.14 1chh s THR 19 CO -0.03 -0.34 0.00 1.33 -0.54 0.00 0.00 174.62 175.04 1chh n VAL 20 N -0.82 0.00 -2.46 2.29 0.24 -1.26 -0.90 118.33 115.42 1chh n VAL 20 Ca -0.05 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.86 1chh n VAL 20 Cb 0.60 0.39 -0.04 0.00 -1.47 0.00 0.00 33.84 33.33 1chh n VAL 20 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1chh s GLU 21 N -1.82 4.33 0.02 7.34 1.03 -1.26 -3.33 118.70 125.01 1chh s GLU 21 Ca 0.00 1.71 -0.30 0.00 0.03 0.00 0.00 54.97 56.41 1chh s GLU 21 Cb 0.00 -2.83 -0.09 0.00 -0.80 0.00 0.00 34.13 30.41 1chh s GLU 21 CO 0.00 -0.04 1.98 0.21 -1.33 0.00 0.00 175.26 176.08 1chh s LYS 22 N -2.03 4.09 0.00 -4.83 2.20 -1.26 -0.12 119.74 117.79 1chh s LYS 22 Ca 0.52 2.58 0.00 0.00 -0.36 0.00 0.00 55.97 58.71 1chh s LYS 22 Cb -0.28 -4.17 0.00 0.00 -1.51 0.00 0.00 37.83 31.87 1chh s LYS 22 CO 0.36 -1.01 0.00 0.41 -0.36 0.00 0.00 175.35 174.74 1chh n GLY 23 N 4.61 0.76 3.84 5.54 0.00 -1.26 -5.05 105.19 113.63 1chh n GLY 23 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1chh n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1chh s GLY 24 N -1.70 2.37 0.44 -0.02 0.00 0.82 -5.06 107.32 104.18 1chh s GLY 24 Ca 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 44.72 44.75 1chh s GLY 24 CO 0.00 0.29 0.72 2.56 0.00 0.00 0.00 173.10 176.66 1chh s PRO 25 N -2.86 3.48 0.35 2.90 0.04 -1.26 -4.78 135.00 132.88 1chh s PRO 25 Ca 0.53 0.01 -0.27 0.00 0.04 0.00 0.00 61.00 61.31 1chh s PRO 25 Cb -0.11 -2.46 -0.09 0.00 0.04 0.00 0.00 34.50 31.88 1chh s PRO 25 CO 0.18 -0.12 1.14 -1.01 0.04 0.00 0.00 177.00 177.22 1chh s HIS 26 N -2.62 3.26 0.00 0.56 3.76 -1.26 -4.30 115.29 114.69 1chh s HIS 26 Ca 0.45 1.60 0.00 0.00 -0.15 0.00 0.00 55.06 56.97 1chh s HIS 26 Cb -0.10 -3.34 0.00 0.00 1.11 0.00 0.00 32.58 30.25 1chh s HIS 26 CO 0.42 -1.00 0.00 1.63 -0.85 0.00 0.00 174.74 174.94 1chh n LYS 27 N 0.47 0.00 -0.21 1.40 5.02 -1.26 -4.93 118.16 118.66 1chh n LYS 27 Ca 0.02 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.24 1chh n LYS 27 Cb 0.46 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.50 1chh n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1chh h VAL 28 N 0.00 1.21 -2.05 -0.18 2.07 -1.82 -3.43 116.25 112.05 1chh h VAL 28 Ca 0.00 -0.61 -0.53 0.00 0.82 0.00 0.00 66.70 66.39 1chh h VAL 28 Cb 0.00 0.51 -0.07 0.00 -1.52 0.00 0.00 31.29 30.21 1chh h VAL 28 CO 0.00 0.25 -0.55 -0.83 0.02 0.00 0.00 177.57 176.46 1chh s GLY 29 N -3.04 1.67 0.87 2.17 0.00 0.14 -5.07 107.32 104.07 1chh s GLY 29 Ca -0.13 -1.63 -0.11 0.00 0.00 0.00 0.00 44.72 42.86 1chh s GLY 29 CO 0.78 -1.62 1.11 2.56 0.00 0.00 0.00 173.10 175.93 1chh s PRO 30 N -3.83 1.42 0.21 2.90 0.04 -1.26 -4.54 135.00 129.95 1chh s PRO 30 Ca 0.35 1.21 -0.30 0.00 0.04 0.00 0.00 61.00 62.31 1chh s PRO 30 Cb -0.06 -1.80 -0.08 0.00 0.04 0.00 0.00 34.50 32.60 1chh s PRO 30 CO 0.23 -2.24 1.16 1.21 0.04 0.00 0.00 177.00 177.40 1chh s ASN 31 N -3.09 7.16 0.00 6.66 3.84 -1.26 -4.33 114.94 123.91 1chh s ASN 31 Ca 0.64 2.23 0.21 0.00 0.21 0.00 0.00 52.86 56.15 1chh s ASN 31 Cb -0.20 -2.61 0.56 0.00 -0.55 0.00 0.00 41.25 38.45 1chh s ASN 31 CO 0.57 -0.29 1.46 0.18 -2.79 0.00 0.00 177.10 176.23 1chh n LEU 32 N 2.12 2.59 -4.68 3.21 4.77 -0.08 -4.96 117.00 119.96 1chh n LEU 32 Ca 0.03 -1.13 -0.44 0.00 -0.03 0.00 0.00 56.01 54.43 1chh n LEU 32 Cb 0.45 -0.20 -0.02 0.00 -2.33 0.00 0.00 43.42 41.32 1chh n LEU 32 CO 0.55 0.57 1.01 1.57 -1.33 0.00 0.00 177.39 179.76 1chh n HIS 33 N 0.92 2.26 -1.49 -1.77 -0.00 -1.21 -1.78 115.22 112.16 1chh n HIS 33 Ca 0.18 0.44 -0.17 0.00 0.46 0.00 0.00 57.72 58.63 1chh n HIS 33 Cb 0.46 -2.47 -0.07 0.00 -0.12 0.00 0.00 29.99 27.80 1chh n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1chh n GLY 34 N 1.86 1.66 0.35 1.57 0.00 0.09 -4.93 105.19 105.79 1chh n GLY 34 Ca 0.10 -0.17 0.07 0.00 0.00 0.00 0.00 46.02 46.01 1chh n GLY 34 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1chh h ILE 35 N 0.00 1.01 -2.87 -0.61 6.09 -1.58 -3.39 117.51 116.16 1chh h ILE 35 Ca -0.34 -0.24 -0.53 0.00 -1.37 0.00 0.00 64.86 62.37 1chh h ILE 35 Cb 1.13 0.24 0.02 0.00 0.47 0.00 0.00 36.82 38.69 1chh h ILE 35 CO 0.50 0.13 0.85 -0.36 -3.07 0.00 0.00 178.15 176.20 1chh s PHE 36 N -5.63 2.95 0.00 2.19 0.08 -1.26 -1.48 117.98 114.82 1chh s PHE 36 Ca -0.09 0.70 0.00 0.00 0.12 0.00 0.00 56.93 57.65 1chh s PHE 36 Cb 0.19 -3.81 0.00 0.00 -0.57 0.00 0.00 43.02 38.83 1chh s PHE 36 CO 0.77 -3.02 0.00 0.41 -0.10 0.00 0.00 175.22 173.28 1chh n GLY 37 N 3.70 2.38 3.87 4.36 0.00 0.57 -4.99 105.19 115.08 1chh n GLY 37 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1chh n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1chh s ARG 38 N -0.39 3.81 0.66 1.61 3.52 -0.55 -4.78 118.95 122.83 1chh s ARG 38 Ca 0.00 0.45 -0.06 0.00 -0.13 0.00 0.00 55.73 55.99 1chh s ARG 38 Cb 0.00 -2.44 0.04 0.00 -1.56 0.00 0.00 34.95 30.99 1chh s ARG 38 CO 0.00 0.06 0.97 -1.01 -0.81 0.00 0.00 175.30 174.50 1chh s HIS 39 N -2.22 3.01 0.44 5.12 3.76 -1.26 -2.02 115.29 122.13 1chh s HIS 39 Ca 0.51 0.48 -0.22 0.00 -0.15 0.00 0.00 55.06 55.67 1chh s HIS 39 Cb -0.10 -3.03 -0.09 0.00 1.11 0.00 0.00 32.58 30.47 1chh s HIS 39 CO 0.28 -1.20 1.04 -1.54 -0.85 0.00 0.00 174.74 172.46 1chh s SER 40 N -4.45 6.59 -0.64 1.40 1.04 0.18 -4.12 113.70 113.71 1chh s SER 40 Ca 0.58 1.96 -0.03 0.00 0.48 0.00 0.00 55.95 58.94 1chh s SER 40 Cb -0.11 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.45 1chh s SER 40 CO 0.44 -0.61 0.45 0.61 0.98 0.00 0.00 173.24 175.12 1chh n GLY 41 N 0.01 0.24 0.00 7.32 0.00 -1.26 -4.56 105.19 106.94 1chh n GLY 41 Ca 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1chh n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1chh n GLN 42 N -2.43 -0.44 -2.02 1.61 1.13 -1.26 -4.87 117.38 109.10 1chh n GLN 42 Ca -0.01 -0.46 -0.42 0.00 -1.94 0.00 0.00 57.00 54.17 1chh n GLN 42 Cb 0.54 -0.96 -0.03 0.00 0.11 0.00 0.00 30.24 29.90 1chh n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1chh s ALA 43 N -0.07 3.69 0.31 -1.58 0.00 -1.26 -4.95 121.76 117.90 1chh s ALA 43 Ca 0.00 1.29 -0.18 0.00 0.00 0.00 0.00 51.96 53.07 1chh s ALA 43 Cb 0.00 -3.58 -0.09 0.00 0.00 0.00 0.00 23.12 19.45 1chh s ALA 43 CO 0.00 -0.72 0.79 -1.83 0.00 0.00 0.00 175.76 174.00 1chh s GLU 44 N 0.64 4.17 0.00 0.00 -1.05 -1.26 -3.55 118.70 117.65 1chh s GLU 44 Ca 0.65 0.86 0.00 0.00 -0.15 0.00 0.00 54.97 56.34 1chh s GLU 44 Cb -0.41 -2.54 0.00 0.00 -0.44 0.00 0.00 34.13 30.73 1chh s GLU 44 CO 0.35 0.20 0.00 0.41 0.95 0.00 0.00 175.26 177.17 1chh n GLY 45 N -0.03 0.62 3.30 -3.83 0.00 -1.26 -5.05 105.19 98.94 1chh n GLY 45 Ca 0.02 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 1chh n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1chh s TYR 46 N -2.00 2.49 -1.00 1.61 5.04 -1.23 -5.04 117.35 117.22 1chh s TYR 46 Ca 0.00 -0.66 -0.15 0.00 -2.44 0.00 0.00 57.07 53.82 1chh s TYR 46 Cb 0.00 -1.62 0.18 0.00 0.35 0.00 0.00 41.96 40.87 1chh s TYR 46 CO 0.00 -0.17 1.12 0.45 -1.34 0.00 0.00 175.55 175.61 1chh s SER 47 N -0.19 6.85 0.78 4.32 0.15 -1.26 -4.95 113.70 119.40 1chh s SER 47 Ca -0.02 -2.60 -0.12 0.00 0.70 0.00 0.00 55.95 53.91 1chh s SER 47 Cb -0.14 -2.34 0.06 0.00 -1.71 0.00 0.00 66.02 61.90 1chh s SER 47 CO 0.03 -0.79 1.13 -0.31 1.20 0.00 0.00 173.24 174.51 1chh s TYR 48 N 1.39 3.03 0.66 3.44 2.02 -1.26 -5.06 117.35 121.57 1chh s TYR 48 Ca 0.32 0.93 -0.10 0.00 -0.37 0.00 0.00 57.07 57.85 1chh s TYR 48 Cb -0.06 -3.27 0.00 0.00 -0.40 0.00 0.00 41.96 38.23 1chh s TYR 48 CO -0.07 -1.61 1.03 0.95 -1.57 0.00 0.00 175.55 174.28 1chh s THR 49 N -3.40 3.78 0.36 -0.71 -4.23 -1.26 -4.97 115.64 105.20 1chh s THR 49 Ca 0.61 0.42 0.07 0.00 -1.18 0.00 0.00 61.69 61.60 1chh s THR 49 Cb -0.12 -3.55 0.15 0.00 1.34 0.00 0.00 72.50 70.32 1chh s THR 49 CO 0.51 -0.68 1.88 0.44 -0.54 0.00 0.00 174.62 176.23 1chh h ASP 50 N -0.45 0.34 -0.28 3.99 3.32 -1.97 -3.15 116.42 118.22 1chh h ASP 50 Ca -0.45 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.52 1chh h ASP 50 Cb 1.24 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 1chh h ASP 50 CO 0.63 0.48 0.14 0.00 -1.72 0.00 0.00 179.24 178.77 1chh h ALA 51 N 1.56 0.36 0.68 3.45 0.00 -1.88 -2.74 119.26 120.69 1chh h ALA 51 Ca 0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1chh h ALA 51 Cb 0.39 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.08 1chh h ALA 51 CO 0.02 -0.10 -0.33 -0.97 0.00 0.00 0.00 179.25 177.88 1chh h ASN 52 N 0.32 -0.78 -0.87 0.00 -0.73 -1.89 0.05 115.58 111.69 1chh h ASN 52 Ca 0.10 -0.00 0.23 0.00 1.87 0.00 0.00 56.30 58.49 1chh h ASN 52 Cb 0.09 0.20 -0.14 0.00 0.27 0.00 0.00 38.32 38.74 1chh h ASN 52 CO -0.01 -0.47 0.23 0.40 -0.37 0.00 0.00 177.43 177.21 1chh h ILE 53 N -1.06 0.33 -0.08 2.57 2.04 -1.62 -2.14 117.51 117.56 1chh h ILE 53 Ca -0.09 -0.07 -0.12 0.00 1.00 0.00 0.00 64.86 65.57 1chh h ILE 53 Cb 0.73 0.10 0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1chh h ILE 53 CO 0.15 0.04 -0.43 0.50 0.00 0.00 0.00 178.15 178.42 1chh h LYS 54 N 0.21 0.42 -0.95 2.37 1.63 -1.48 -3.19 116.57 115.59 1chh h LYS 54 Ca 0.54 -0.35 0.19 0.00 -0.85 0.00 0.00 60.65 60.18 1chh h LYS 54 Cb 1.07 0.08 -0.08 0.00 -0.60 0.00 0.00 32.23 32.69 1chh h LYS 54 CO -0.64 0.99 0.61 -0.22 -3.45 0.00 0.00 179.45 176.74 1chh h LYS 55 N -0.04 0.57 -6.47 1.90 3.11 -0.31 -3.46 116.57 111.87 1chh h LYS 55 Ca -0.03 -0.03 -0.47 0.00 -2.81 0.00 0.00 60.65 57.30 1chh h LYS 55 Cb 1.08 -0.13 0.04 0.00 -1.00 0.00 0.00 32.23 32.23 1chh h LYS 55 CO 0.09 0.38 -0.94 -1.71 -2.81 0.00 0.00 179.45 174.46 1chh n ASN 56 N -4.61 -5.04 -4.76 4.20 4.05 -1.05 -4.92 115.26 103.13 1chh n ASN 56 Ca 0.21 -1.05 -0.40 0.00 0.45 0.00 0.00 54.58 53.79 1chh n ASN 56 Cb 0.63 -2.73 -0.05 0.00 1.23 0.00 0.00 39.78 38.85 1chh n ASN 56 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1chh s VAL 57 N -3.40 4.55 -0.30 3.44 1.01 -1.26 -4.79 120.40 119.64 1chh s VAL 57 Ca 0.40 1.72 -0.11 0.00 0.00 0.00 0.00 61.98 64.00 1chh s VAL 57 Cb -0.17 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 1chh s VAL 57 CO 0.90 0.42 0.18 -0.22 0.00 0.00 0.00 175.10 176.38 1chh s LEU 58 N -0.50 4.09 -0.34 3.92 1.98 -1.26 0.49 118.68 127.07 1chh s LEU 58 Ca 0.38 -0.28 -0.25 0.00 -2.89 0.00 0.00 54.13 51.10 1chh s LEU 58 Cb -0.22 -2.07 0.01 0.00 0.66 0.00 0.00 46.19 44.57 1chh s LEU 58 CO 0.25 -0.13 0.86 0.26 -1.89 0.00 0.00 176.35 175.70 1chh s TRP 59 N 1.69 3.15 0.05 5.38 0.23 -0.86 -4.79 118.94 123.79 1chh s TRP 59 Ca 0.06 0.80 -0.01 0.00 -2.03 0.00 0.00 56.10 54.93 1chh s TRP 59 Cb -0.16 -3.43 -0.04 0.00 0.03 0.00 0.00 33.47 29.87 1chh s TRP 59 CO 0.09 -0.69 -0.03 0.16 0.96 0.00 0.00 176.95 177.43 1chh s ASP 60 N 1.73 0.54 0.60 2.95 1.47 -1.26 0.21 116.67 122.91 1chh s ASP 60 Ca 0.35 -0.96 0.28 0.00 1.18 0.00 0.00 52.55 53.40 1chh s ASP 60 Cb -0.13 0.18 1.17 0.00 -0.34 0.00 0.00 42.92 43.80 1chh s ASP 60 CO 0.15 -0.56 1.55 1.05 0.68 0.00 0.00 175.17 178.04 1chh h GLU 61 N 3.25 0.00 0.09 2.11 4.11 -1.97 -2.37 114.58 119.80 1chh h GLU 61 Ca -0.34 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 58.92 1chh h GLU 61 Cb 1.15 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.40 1chh h GLU 61 CO 0.64 0.00 -0.82 -0.91 0.07 0.00 0.00 179.01 177.99 1chh h ASN 62 N 0.00 0.31 0.32 3.06 4.21 -1.96 -2.95 115.58 118.56 1chh h ASN 62 Ca 0.37 -0.90 -0.02 0.00 1.21 0.00 0.00 56.30 56.96 1chh h ASN 62 Cb 2.19 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 39.29 1chh h ASN 62 CO -0.00 1.37 -0.15 -1.13 -1.29 0.00 0.00 177.43 176.22 1chh h ASN 63 N -0.54 -0.36 -0.93 5.81 -0.73 -1.77 -2.82 115.58 114.23 1chh h ASN 63 Ca -0.17 -0.06 0.23 0.00 1.87 0.00 0.00 56.30 58.17 1chh h ASN 63 Cb 1.50 0.09 -0.06 0.00 0.27 0.00 0.00 38.32 40.12 1chh h ASN 63 CO 0.07 -0.17 0.63 -0.03 -0.37 0.00 0.00 177.43 177.55 1chh h MET 64 N -0.54 0.30 0.07 6.67 4.05 -1.59 0.79 114.93 124.68 1chh h MET 64 Ca -0.04 -0.02 -0.24 0.00 -0.28 0.00 0.00 59.70 59.12 1chh h MET 64 Cb 0.40 -0.07 0.02 0.00 -0.80 0.00 0.00 31.60 31.15 1chh h MET 64 CO 0.07 0.20 -0.97 1.03 0.23 0.00 0.00 176.91 177.47 1chh h SER 65 N 0.31 0.73 0.30 1.39 0.87 -1.37 -1.62 113.55 114.15 1chh h SER 65 Ca 0.48 -0.81 -0.01 0.00 -1.23 0.00 0.00 61.79 60.22 1chh h SER 65 Cb 1.37 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1chh h SER 65 CO -0.16 1.46 -0.14 -0.33 -0.53 0.00 0.00 176.83 177.13 1chh h GLU 66 N 0.09 -0.38 -0.16 2.24 5.08 -0.99 -2.20 114.58 118.25 1chh h GLU 66 Ca -0.14 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1chh h GLU 66 Cb 1.67 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 30.94 1chh h GLU 66 CO 0.19 -0.14 -0.48 -0.92 -1.00 0.00 0.00 179.01 176.66 1chh h TYR 67 N -0.58 -1.41 -0.13 4.33 3.20 -0.99 0.47 116.97 121.86 1chh h TYR 67 Ca -0.04 0.06 0.04 0.00 3.14 0.00 0.00 58.73 61.92 1chh h TYR 67 Cb 0.42 0.64 -0.01 0.00 1.54 0.00 0.00 36.73 39.32 1chh h TYR 67 CO -0.01 -0.51 0.38 -0.07 -1.64 0.00 0.00 178.16 176.31 1chh h LEU 68 N -0.52 0.00 -0.37 2.82 3.38 -1.18 0.98 115.31 120.41 1chh h LEU 68 Ca 0.06 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 1chh h LEU 68 Cb 0.65 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1chh h LEU 68 CO -0.43 0.00 -0.18 0.74 0.09 0.00 0.00 178.44 178.65 1chh h THR 69 N 0.00 1.28 -0.84 0.22 2.02 -0.25 -1.84 112.91 113.50 1chh h THR 69 Ca 0.06 -1.31 -0.01 0.00 0.77 0.00 0.00 66.41 65.92 1chh h THR 69 Cb 0.81 1.34 -0.19 0.00 -1.74 0.00 0.00 68.15 68.37 1chh h THR 69 CO -0.00 0.43 -0.37 0.21 0.37 0.00 0.00 175.52 176.16 1chh s ASN 70 N -6.49 -1.31 0.00 4.18 3.84 0.24 -4.09 114.94 111.31 1chh s ASN 70 Ca -0.12 -0.53 0.00 0.00 0.21 0.00 0.00 52.86 52.42 1chh s ASN 70 Cb 0.10 1.70 0.00 0.00 -0.55 0.00 0.00 41.25 42.49 1chh s ASN 70 CO 0.83 -0.16 0.00 -2.65 -2.79 0.00 0.00 177.10 172.33 1chh n PRO 71 N 4.45 0.00 0.00 0.43 -0.02 -0.60 -0.96 135.00 138.30 1chh n PRO 71 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1chh n PRO 71 Cb 0.58 -0.93 0.00 0.00 -0.02 0.00 0.00 33.50 33.13 1chh n PRO 71 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1chh n LYS 73 N -0.10 0.00 -0.07 -0.52 3.00 -1.26 -0.18 118.16 119.02 1chh n LYS 73 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.18 1chh n LYS 73 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.97 1chh n LYS 73 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 1chh h TYR 74 N 0.00 0.64 -2.50 5.64 3.20 -1.38 -3.36 116.97 119.21 1chh h TYR 74 Ca 0.00 -0.19 -0.60 0.00 3.14 0.00 0.00 58.73 61.08 1chh h TYR 74 Cb 0.00 -0.14 -0.39 0.00 1.54 0.00 0.00 36.73 37.74 1chh h TYR 74 CO 0.00 0.88 -0.86 -0.89 -1.64 0.00 0.00 178.16 175.65 1chh n ILE 75 N -4.40 -0.15 -1.74 1.81 5.41 0.75 -5.09 119.36 115.94 1chh n ILE 75 Ca -0.05 -4.00 -0.42 0.00 1.00 0.00 0.00 62.75 59.28 1chh n ILE 75 Cb 0.42 -1.86 -0.01 0.00 -0.71 0.00 0.00 39.64 37.48 1chh n ILE 75 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1chh n PRO 76 N 2.30 2.56 0.00 0.38 -0.02 -1.26 -0.96 135.00 137.99 1chh n PRO 76 Ca 0.26 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.64 1chh n PRO 76 Cb 0.45 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 1chh n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1chh n GLY 77 N 1.42 1.61 3.75 -1.23 0.00 -1.26 -4.83 105.19 104.65 1chh n GLY 77 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1chh n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1chh s THR 78 N -2.44 2.07 -1.95 2.61 -1.32 -0.13 -4.77 115.64 109.70 1chh s THR 78 Ca 0.00 0.05 0.08 0.00 -1.21 0.00 0.00 61.69 60.61 1chh s THR 78 Cb 0.00 -3.03 0.24 0.00 -1.51 0.00 0.00 72.50 68.21 1chh s THR 78 CO 0.00 0.00 1.19 2.29 -2.21 0.00 0.00 174.62 175.89 1chh n LYS 79 N -0.93 1.66 -2.46 7.08 2.85 -1.26 -4.82 118.16 120.29 1chh n LYS 79 Ca 0.10 -0.99 -0.43 0.00 -1.05 0.00 0.00 58.31 55.94 1chh n LYS 79 Cb 0.45 -1.23 -0.02 0.00 -0.65 0.00 0.00 35.03 33.57 1chh n LYS 79 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1chh s MET 80 N -1.63 3.95 -1.07 -1.58 1.75 -1.26 -4.90 119.30 114.56 1chh s MET 80 Ca 0.18 1.22 -0.03 0.00 -1.25 0.00 0.00 55.69 55.82 1chh s MET 80 Cb 0.10 -3.85 0.30 0.00 2.84 0.00 0.00 34.83 34.22 1chh s MET 80 CO 0.12 -1.07 1.70 0.00 -0.65 0.00 0.00 175.02 175.13 1chh n ALA 81 N 7.44 5.69 -3.63 4.11 0.00 -1.26 -4.92 120.51 127.94 1chh n ALA 81 Ca 0.14 -4.67 -0.24 0.00 0.00 0.00 0.00 53.44 48.67 1chh n ALA 81 Cb 0.47 -2.32 -0.17 0.00 0.00 0.00 0.00 19.45 17.43 1chh n ALA 81 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1chh s TYR 82 N -3.34 1.26 0.09 0.00 5.04 -1.26 -5.04 117.35 114.10 1chh s TYR 82 Ca 0.36 -0.50 -0.34 0.00 -2.44 0.00 0.00 57.07 54.15 1chh s TYR 82 Cb 0.12 -1.01 -0.16 0.00 0.35 0.00 0.00 41.96 41.27 1chh s TYR 82 CO -0.02 -0.32 1.59 0.78 -1.34 0.00 0.00 175.55 176.24 1chh h GLY 83 N 7.41 -1.08 0.00 8.97 0.00 -1.97 -3.41 103.07 112.98 1chh h GLY 83 Ca -0.32 0.49 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1chh h GLY 83 CO 0.44 -0.36 0.00 0.61 0.00 0.00 0.00 176.54 177.24 1chh n GLY 84 N -1.53 2.73 3.19 4.60 0.00 -1.26 -4.26 105.19 108.65 1chh n GLY 84 Ca -0.12 -1.82 -0.41 0.00 0.00 0.00 0.00 46.02 43.67 1chh n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1chh s LEU 85 N 0.00 5.80 0.32 0.99 1.43 -0.69 -4.98 118.68 121.54 1chh s LEU 85 Ca 0.00 -2.54 0.03 0.00 -1.03 0.00 0.00 54.13 50.59 1chh s LEU 85 Cb 0.00 -2.00 0.53 0.00 0.03 0.00 0.00 46.19 44.76 1chh s LEU 85 CO 0.00 -0.52 1.83 0.11 0.23 0.00 0.00 176.35 178.01 1chh h LYS 86 N 7.65 0.56 -5.92 1.70 6.56 -1.85 -3.38 116.57 121.88 1chh h LYS 86 Ca -0.04 -0.14 -0.57 0.00 -1.06 0.00 0.00 60.65 58.85 1chh h LYS 86 Cb 1.01 -0.07 -0.07 0.00 -0.57 0.00 0.00 32.23 32.53 1chh h LYS 86 CO 0.77 0.61 0.12 0.15 -2.06 0.00 0.00 179.45 179.04 1chh s LYS 87 N -4.90 4.36 0.27 3.15 1.02 -1.26 -4.95 119.74 117.43 1chh s LYS 87 Ca -0.08 0.82 -0.02 0.00 0.02 0.00 0.00 55.97 56.71 1chh s LYS 87 Cb 0.15 -3.49 0.44 0.00 -0.52 0.00 0.00 37.83 34.41 1chh s LYS 87 CO 0.78 -0.05 1.86 1.49 -0.92 0.00 0.00 175.35 178.51 1chh h GLU 88 N 6.99 1.06 -0.70 1.68 4.81 -1.99 -1.76 114.58 124.66 1chh h GLU 88 Ca -0.37 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1chh h GLU 88 Cb 1.17 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 30.28 1chh h GLU 88 CO 0.77 0.70 0.45 1.57 -0.73 0.00 0.00 179.01 181.76 1chh h LYS 89 N 1.09 0.94 -0.32 1.92 2.10 -1.97 0.60 116.57 120.92 1chh h LYS 89 Ca 0.44 -0.07 -0.13 0.00 -2.00 0.00 0.00 60.65 58.90 1chh h LYS 89 Cb 0.27 -0.21 -0.01 0.00 -0.90 0.00 0.00 32.23 31.39 1chh h LYS 89 CO -0.20 0.64 -0.30 -0.44 -2.00 0.00 0.00 179.45 177.15 1chh h ASP 90 N 0.96 0.82 -0.94 7.07 3.32 -1.78 -1.59 116.42 124.29 1chh h ASP 90 Ca 0.26 -0.46 0.01 0.00 0.02 0.00 0.00 57.03 56.85 1chh h ASP 90 Cb -0.08 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.20 1chh h ASP 90 CO -0.05 1.11 0.61 0.03 -1.72 0.00 0.00 179.24 179.22 1chh h ARG 91 N 0.54 1.24 -0.24 3.56 3.08 -0.49 0.18 114.38 122.25 1chh h ARG 91 Ca 0.05 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1chh h ARG 91 Cb 0.87 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 1chh h ARG 91 CO 0.08 0.83 0.02 -0.91 -1.07 0.00 0.00 179.97 178.92 1chh h ASN 92 N 1.28 0.39 -0.32 7.04 2.35 0.47 -1.45 115.58 125.33 1chh h ASN 92 Ca 0.34 -0.28 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 1chh h ASN 92 Cb -0.13 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 1chh h ASN 92 CO -0.07 0.57 0.12 0.44 -1.65 0.00 0.00 177.43 176.84 1chh h ASP 93 N 0.19 0.45 -0.68 5.81 3.32 -0.89 -2.31 116.42 122.31 1chh h ASP 93 Ca 0.07 -0.18 -0.05 0.00 0.02 0.00 0.00 57.03 56.89 1chh h ASP 93 Cb 0.36 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 1chh h ASP 93 CO 0.01 0.51 0.24 0.25 -1.72 0.00 0.00 179.24 178.53 1chh h LEU 94 N 0.37 0.97 -1.33 1.55 5.85 -0.57 -1.42 115.31 120.73 1chh h LEU 94 Ca 0.11 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 1chh h LEU 94 Cb 0.20 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1chh h LEU 94 CO -0.01 0.90 0.02 0.40 -0.34 0.00 0.00 178.44 179.42 1chh h ILE 95 N 0.99 1.17 -0.17 4.05 2.04 -1.31 0.59 117.51 124.87 1chh h ILE 95 Ca 0.22 -0.67 -0.07 0.00 1.00 0.00 0.00 64.86 65.34 1chh h ILE 95 Cb 0.25 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1chh h ILE 95 CO -0.01 0.23 -0.22 0.74 0.00 0.00 0.00 178.15 178.89 1chh h THR 96 N 0.46 1.23 -0.03 -0.27 2.02 -0.74 1.28 112.91 116.86 1chh h THR 96 Ca 0.10 -1.08 -0.04 0.00 0.77 0.00 0.00 66.41 66.16 1chh h THR 96 Cb 0.26 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 1chh h THR 96 CO 0.00 0.33 -0.15 0.22 0.37 0.00 0.00 175.52 176.30 1chh h TYR 97 N 0.28 0.20 -0.00 3.16 3.20 -0.26 -3.18 116.97 120.37 1chh h TYR 97 Ca 0.05 -0.09 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 1chh h TYR 97 Cb 0.54 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.78 1chh h TYR 97 CO 0.01 0.79 -0.00 -0.07 -1.64 0.00 0.00 178.16 177.25 1chh h LEU 98 N -0.45 0.00 -1.00 2.82 3.38 0.57 0.21 115.31 120.85 1chh h LEU 98 Ca -0.01 -0.37 0.39 0.00 0.09 0.00 0.00 57.88 57.98 1chh h LEU 98 Cb 0.81 -0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.38 1chh h LEU 98 CO 0.03 0.37 0.46 0.50 0.09 0.00 0.00 178.44 179.89 1chh h LYS 99 N -0.37 0.02 0.01 1.13 3.64 0.15 -0.97 116.57 120.18 1chh h LYS 99 Ca 0.00 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1chh h LYS 99 Cb 0.37 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1chh h LYS 99 CO 0.00 0.02 -0.04 -0.22 -2.27 0.00 0.00 179.45 176.94 1chh h LYS 100 N 0.02 0.01 0.00 1.90 3.64 -1.46 -3.38 116.57 117.31 1chh h LYS 100 Ca 0.80 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 60.13 1chh h LYS 100 Cb 2.04 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.86 1chh h LYS 100 CO -0.78 1.01 -0.25 0.00 -2.27 0.00 0.00 179.45 177.16 1chh h ALA 101 N 0.01 0.87 -0.13 5.00 0.00 -0.06 -3.28 119.26 121.67 1chh h ALA 101 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1chh h ALA 101 Cb 1.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1chh h ALA 101 CO 0.01 0.14 0.00 0.25 0.00 0.00 0.00 179.25 179.65 1chh n THR 102 N -3.07 0.17 1.79 0.00 -2.24 -0.42 -4.70 114.28 105.81 1chh n THR 102 Ca 0.03 -0.23 0.15 0.00 -2.27 0.00 0.00 64.05 61.73 1chh n THR 102 Cb 0.58 0.12 0.77 0.00 -2.10 0.00 0.00 70.33 69.71 1chh n THR 102 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71