#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hrr s ALA 2 N 0.00 -1.33 0.80 7.33 0.00 -1.26 -4.84 121.76 122.46 1hrr s ALA 2 Ca 0.00 1.14 -0.11 0.00 0.00 0.00 0.00 51.96 52.99 1hrr s ALA 2 Cb 0.00 -1.75 0.07 0.00 0.00 0.00 0.00 23.12 21.44 1hrr s ALA 2 CO 0.00 -1.24 1.09 -1.25 0.00 0.00 0.00 175.76 174.36 1hrr s PRO 3 N 2.61 2.07 0.13 0.00 0.04 -1.26 -4.96 135.00 133.62 1hrr s PRO 3 Ca 0.13 0.99 -0.18 0.00 0.04 0.00 0.00 61.00 61.98 1hrr s PRO 3 Cb -0.15 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 1hrr s PRO 3 CO -0.17 -1.72 1.73 0.00 0.04 0.00 0.00 177.00 176.88 1hrr h ALA 4 N -1.18 0.40 -0.05 8.56 0.00 -2.01 -2.69 119.26 122.28 1hrr h ALA 4 Ca -0.46 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.25 1hrr h ALA 4 Cb 1.25 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 1hrr h ALA 4 CO 0.54 -0.07 -0.14 0.27 0.00 0.00 0.00 179.25 179.84 1hrr n ASN 5 N -4.80 5.42 -4.75 0.00 6.94 -1.26 -4.88 115.26 111.93 1hrr n ASN 5 Ca -0.01 -2.52 -0.40 0.00 -0.02 0.00 0.00 54.58 51.63 1hrr n ASN 5 Cb 0.08 -1.27 -0.05 0.00 -2.36 0.00 0.00 39.78 36.17 1hrr n ASN 5 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1hrr s ALA 6 N 0.29 3.39 -0.36 -2.53 0.00 -1.02 0.36 121.76 121.90 1hrr s ALA 6 Ca 0.37 0.27 -0.28 0.00 0.00 0.00 0.00 51.96 52.32 1hrr s ALA 6 Cb 0.19 -2.97 -0.01 0.00 0.00 0.00 0.00 23.12 20.33 1hrr s ALA 6 CO -0.01 0.10 1.68 0.08 0.00 0.00 0.00 175.76 177.61 1hrr s VAL 7 N -0.19 3.60 0.39 0.00 1.01 0.48 -4.79 120.40 120.90 1hrr s VAL 7 Ca 0.38 0.60 -0.24 0.00 0.00 0.00 0.00 61.98 62.72 1hrr s VAL 7 Cb -0.21 -3.82 -0.09 0.00 0.00 0.00 0.00 36.38 32.27 1hrr s VAL 7 CO 0.23 -0.52 1.01 0.00 0.00 0.00 0.00 175.10 175.81 1hrr s ALA 8 N 6.48 3.11 0.28 5.51 0.00 -1.26 -4.76 121.76 131.11 1hrr s ALA 8 Ca 0.74 0.62 0.02 0.00 0.00 0.00 0.00 51.96 53.34 1hrr s ALA 8 Cb -0.20 -3.23 0.69 0.00 0.00 0.00 0.00 23.12 20.38 1hrr s ALA 8 CO 0.33 -0.08 1.68 0.00 0.00 0.00 0.00 175.76 177.70 1hrr h ALA 9 N 2.57 1.34 -0.41 0.00 0.00 -1.94 -0.40 119.26 120.42 1hrr h ALA 9 Ca -0.48 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1hrr h ALA 9 Cb 1.20 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1hrr h ALA 9 CO 0.63 -0.37 0.00 -0.40 0.00 0.00 0.00 179.25 179.11 1hrr n ASP 10 N -5.10 2.47 -4.65 0.00 5.75 -1.26 -4.37 116.55 109.40 1hrr n ASP 10 Ca 0.21 -2.07 -0.38 0.00 -0.01 0.00 0.00 54.79 52.53 1hrr n ASP 10 Cb 0.64 -0.33 0.05 0.00 -1.03 0.00 0.00 41.12 40.45 1hrr n ASP 10 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1hrr n ASP 11 N 0.69 1.31 -0.17 -1.12 2.03 -0.16 -4.81 116.55 114.32 1hrr n ASP 11 Ca 0.14 0.86 -0.09 0.00 0.52 0.00 0.00 54.79 56.22 1hrr n ASP 11 Cb 0.42 -1.44 0.00 0.00 -0.72 0.00 0.00 41.12 39.38 1hrr n ASP 11 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1hrr h ALA 12 N 0.77 0.64 -0.62 -1.67 0.00 -1.92 0.11 119.26 116.57 1hrr h ALA 12 Ca -0.49 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.14 1hrr h ALA 12 Cb 1.35 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1hrr h ALA 12 CO 0.53 0.39 0.25 1.15 0.00 0.00 0.00 179.25 181.57 1hrr h THR 13 N 0.68 1.23 -0.13 0.00 2.02 -1.95 -1.00 112.91 113.76 1hrr h THR 13 Ca 0.14 -0.73 0.02 0.00 0.77 0.00 0.00 66.41 66.62 1hrr h THR 13 Cb 0.42 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1hrr h THR 13 CO 0.01 0.29 -0.00 0.00 0.37 0.00 0.00 175.52 176.19 1hrr h ALA 14 N 1.10 0.11 -0.12 6.16 0.00 -1.68 -0.53 119.26 124.31 1hrr h ALA 14 Ca 0.21 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.20 1hrr h ALA 14 Cb 0.20 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1hrr h ALA 14 CO -0.02 -0.45 -0.23 0.82 0.00 0.00 0.00 179.25 179.36 1hrr h ILE 15 N 0.04 0.43 -0.92 0.00 2.04 -0.58 0.47 117.51 119.00 1hrr h ILE 15 Ca 0.06 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.08 1hrr h ILE 15 Cb 0.07 0.43 -0.08 0.00 -0.74 0.00 0.00 36.82 36.51 1hrr h ILE 15 CO -0.11 0.00 0.59 0.00 0.00 0.00 0.00 178.15 178.63 1hrr h ALA 16 N 0.64 1.87 -0.04 1.87 0.00 -0.80 -0.65 119.26 122.16 1hrr h ALA 16 Ca 0.10 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1hrr h ALA 16 Cb 0.45 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1hrr h ALA 16 CO -0.29 -0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.10 1hrr n LEU 17 N -4.59 1.91 -3.42 0.00 4.77 -0.24 -4.94 117.00 110.49 1hrr n LEU 17 Ca 0.19 -0.65 -0.25 0.00 -0.03 0.00 0.00 56.01 55.27 1hrr n LEU 17 Cb 0.53 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.62 1hrr n LEU 17 CO 0.28 0.33 0.00 0.29 -1.33 0.00 0.00 177.39 176.96 1hrr n LYS 18 N 0.49 -4.17 -2.46 3.23 4.76 0.14 -0.49 118.16 119.66 1hrr n LYS 18 Ca 0.18 0.59 -0.37 0.00 -2.87 0.00 0.00 58.31 55.84 1hrr n LYS 18 Cb 0.42 -5.37 -0.03 0.00 -1.84 0.00 0.00 35.03 28.20 1hrr n LYS 18 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1hrr s TYR 19 N -3.07 3.16 -0.01 2.13 6.14 0.23 -4.43 117.35 121.49 1hrr s TYR 19 Ca 0.44 1.61 0.02 0.00 0.64 0.00 0.00 57.07 59.78 1hrr s TYR 19 Cb -0.22 -3.20 0.00 0.00 0.42 0.00 0.00 41.96 38.96 1hrr s TYR 19 CO 0.55 -0.88 -0.07 1.21 0.64 0.00 0.00 175.55 177.00 1hrr s ASN 20 N -1.50 0.92 0.23 4.32 3.84 -0.47 -4.77 114.94 117.50 1hrr s ASN 20 Ca 0.59 -0.14 -0.06 0.00 0.21 0.00 0.00 52.86 53.46 1hrr s ASN 20 Cb -0.24 -0.18 0.35 0.00 -0.55 0.00 0.00 41.25 40.63 1hrr s ASN 20 CO 0.30 0.06 1.80 1.56 -2.79 0.00 0.00 177.10 178.03 1hrr h GLN 21 N 6.21 0.68 -5.30 0.43 4.20 -1.89 -0.57 115.11 118.87 1hrr h GLN 21 Ca -0.31 -0.04 -0.65 0.00 0.06 0.00 0.00 58.65 57.71 1hrr h GLN 21 Cb 1.18 -0.15 -0.16 0.00 0.30 0.00 0.00 27.48 28.65 1hrr h GLN 21 CO 0.49 0.45 0.42 0.16 -0.67 0.00 0.00 178.83 179.68 1hrr s ASP 22 N -5.56 6.20 0.33 1.46 1.47 -1.26 -1.79 116.67 117.51 1hrr s ASP 22 Ca -0.13 -0.99 0.04 0.00 1.18 0.00 0.00 52.55 52.65 1hrr s ASP 22 Cb 0.18 -2.39 0.65 0.00 -0.34 0.00 0.00 42.92 41.03 1hrr s ASP 22 CO 0.77 -1.30 1.91 0.00 0.68 0.00 0.00 175.17 177.23 1hrr h ALA 23 N 9.41 1.63 -0.63 2.11 0.00 -1.55 -2.91 119.26 127.31 1hrr h ALA 23 Ca -0.28 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 54.72 1hrr h ALA 23 Cb 1.08 -0.22 -0.12 0.00 0.00 0.00 0.00 17.79 18.53 1hrr h ALA 23 CO 1.13 0.22 -0.32 1.79 0.00 0.00 0.00 179.25 182.07 1hrr h THR 24 N 0.88 0.17 -1.00 0.00 1.35 -1.92 0.76 112.91 113.15 1hrr h THR 24 Ca 0.38 0.00 -0.66 0.00 -0.55 0.00 0.00 66.41 65.58 1hrr h THR 24 Cb 0.33 0.17 -0.29 0.00 -1.73 0.00 0.00 68.15 66.63 1hrr h THR 24 CO -0.15 0.00 0.86 0.29 -0.25 0.00 0.00 175.52 176.27 1hrr n LYS 25 N -5.44 2.65 -1.11 4.72 5.02 -1.11 -4.90 118.16 117.98 1hrr n LYS 25 Ca 0.05 -3.26 -0.12 0.00 -2.02 0.00 0.00 58.31 52.96 1hrr n LYS 25 Cb 0.36 -2.28 0.07 0.00 -0.02 0.00 0.00 35.03 33.17 1hrr n LYS 25 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1hrr n SER 26 N -0.94 0.28 -0.11 4.39 2.88 0.26 -4.90 113.62 115.48 1hrr n SER 26 Ca 0.63 -1.34 0.15 0.00 -1.33 0.00 0.00 58.87 56.98 1hrr n SER 26 Cb 0.76 -0.38 0.75 0.00 -0.75 0.00 0.00 64.21 64.59 1hrr n SER 26 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1hrr n GLU 27 N -2.06 0.90 -0.22 -1.46 1.02 -1.26 -4.56 120.64 112.99 1hrr n GLU 27 Ca 0.07 -0.22 0.03 0.00 -0.02 0.00 0.00 57.16 57.03 1hrr n GLU 27 Cb 0.26 -1.50 0.14 0.00 -0.02 0.00 0.00 31.44 30.32 1hrr n GLU 27 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 1hrr h ARG 28 N 0.53 0.21 -0.63 3.49 0.11 -1.91 0.21 114.38 116.39 1hrr h ARG 28 Ca 0.00 -0.01 0.04 0.00 0.10 0.00 0.00 59.98 60.11 1hrr h ARG 28 Cb 0.23 -0.05 -0.05 0.00 1.11 0.00 0.00 29.97 31.22 1hrr h ARG 28 CO 0.00 0.14 0.36 0.28 0.10 0.00 0.00 179.97 180.85 1hrr h VAL 29 N 0.22 1.01 -0.15 0.08 2.07 -1.87 0.30 116.25 117.91 1hrr h VAL 29 Ca 0.36 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.59 1hrr h VAL 29 Cb 0.59 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1hrr h VAL 29 CO -0.49 0.13 -0.09 0.00 0.02 0.00 0.00 177.57 177.14 1hrr h ALA 30 N 1.30 0.22 -0.55 1.67 0.00 -1.07 -3.23 119.26 117.61 1hrr h ALA 30 Ca 0.27 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1hrr h ALA 30 Cb 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1hrr h ALA 30 CO -0.14 0.04 -0.04 0.00 0.00 0.00 0.00 179.25 179.11 1hrr h ALA 31 N 0.66 0.89 -6.92 0.00 0.00 -0.54 -3.47 119.26 109.88 1hrr h ALA 31 Ca 0.03 -0.31 -0.59 0.00 0.00 0.00 0.00 54.91 54.04 1hrr h ALA 31 Cb 0.58 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 1hrr h ALA 31 CO 0.03 0.65 -0.98 0.00 0.00 0.00 0.00 179.25 178.94 1hrr n ALA 32 N -2.49 -2.34 -1.69 0.00 0.00 0.10 -4.88 120.51 109.21 1hrr n ALA 32 Ca 0.02 -0.48 -0.37 0.00 0.00 0.00 0.00 53.44 52.62 1hrr n ALA 32 Cb 0.36 -1.96 0.07 0.00 0.00 0.00 0.00 19.45 17.91 1hrr n ALA 32 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1hrr s ARG 33 N -7.27 2.53 0.46 0.00 1.81 -1.26 -4.94 118.95 110.28 1hrr s ARG 33 Ca 0.27 2.02 -0.23 0.00 -1.72 0.00 0.00 55.73 56.07 1hrr s ARG 33 Cb -0.15 -1.85 -0.07 0.00 -0.45 0.00 0.00 34.95 32.43 1hrr s ARG 33 CO 0.97 -1.61 1.21 -1.25 -0.68 0.00 0.00 175.30 173.94 1hrr s PRO 34 N -3.43 3.74 0.00 3.54 0.04 -1.26 -4.42 135.00 133.21 1hrr s PRO 34 Ca 0.82 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.75 1hrr s PRO 34 Cb -0.36 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.71 1hrr s PRO 34 CO 0.40 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 177.25 1hrr n GLY 35 N 0.54 2.62 3.52 0.56 0.00 -1.26 -4.51 105.19 106.65 1hrr n GLY 35 Ca 0.07 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 1hrr n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1hrr s LEU 36 N 0.00 0.32 0.54 0.99 2.96 -1.26 -5.02 118.68 117.21 1hrr s LEU 36 Ca 0.00 -0.70 -0.19 0.00 -0.22 0.00 0.00 54.13 53.01 1hrr s LEU 36 Cb 0.00 1.86 -0.06 0.00 0.50 0.00 0.00 46.19 48.49 1hrr s LEU 36 CO 0.00 -1.06 1.10 -2.16 -1.32 0.00 0.00 176.35 172.91 1hrr s PRO 37 N -3.94 3.43 0.23 0.98 0.04 -1.26 -4.84 135.00 129.64 1hrr s PRO 37 Ca 0.15 1.52 -0.07 0.00 0.04 0.00 0.00 61.00 62.64 1hrr s PRO 37 Cb -0.00 -2.03 0.35 0.00 0.04 0.00 0.00 34.50 32.86 1hrr s PRO 37 CO 0.02 -0.77 1.77 -1.00 0.04 0.00 0.00 177.00 177.06 1hrr h PRO 38 N 1.19 0.56 0.00 0.56 0.13 -1.89 -1.29 132.00 131.25 1hrr h PRO 38 Ca -0.50 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.59 1hrr h PRO 38 Cb 1.25 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1hrr h PRO 38 CO 0.57 0.37 -0.08 0.93 -0.23 0.00 0.00 178.00 179.57 1hrr h GLU 39 N 0.57 0.00 0.00 0.86 4.39 -1.92 0.19 114.58 118.67 1hrr h GLU 39 Ca 0.36 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.06 1hrr h GLU 39 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1hrr h GLU 39 CO -0.29 0.08 0.00 0.93 -1.16 0.00 0.00 179.01 178.57 1hrr h GLU 40 N 0.00 0.00 -6.20 2.33 5.08 -1.59 -3.45 114.58 110.75 1hrr h GLU 40 Ca -0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.79 1hrr h GLU 40 Cb 0.30 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 1hrr h GLU 40 CO 0.01 0.00 0.75 -0.65 -1.00 0.00 0.00 179.01 178.12 1hrr s GLN 41 N -3.20 4.31 0.23 2.33 -0.21 0.65 -4.87 119.66 118.91 1hrr s GLN 41 Ca 0.08 1.53 -0.22 0.00 0.02 0.00 0.00 55.36 56.77 1hrr s GLN 41 Cb 0.10 -3.63 0.04 0.00 1.00 0.00 0.00 33.01 30.52 1hrr s GLN 41 CO 0.58 -0.53 0.76 -3.38 -2.12 0.00 0.00 175.29 170.59 1hrr s HIS 42 N 2.75 -0.24 0.32 0.91 -3.43 -1.26 -4.81 115.29 109.53 1hrr s HIS 42 Ca 0.51 -0.14 0.09 0.00 -0.80 0.00 0.00 55.06 54.72 1hrr s HIS 42 Cb -0.20 0.67 0.87 0.00 -1.43 0.00 0.00 32.58 32.49 1hrr s HIS 42 CO 0.15 -1.07 1.73 0.00 -2.00 0.00 0.00 174.74 173.55 1hrr n ALA 44 N -2.33 0.49 -2.16 0.00 0.00 0.57 -0.68 120.51 116.41 1hrr n ALA 44 Ca 0.26 0.88 -0.23 0.00 0.00 0.00 0.00 53.44 54.35 1hrr n ALA 44 Cb 0.73 -0.68 0.02 0.00 0.00 0.00 0.00 19.45 19.52 1hrr n ALA 44 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1hrr n ASN 45 N -5.12 4.62 -4.69 0.00 6.94 0.09 -5.01 115.26 112.10 1hrr n ASN 45 Ca 0.21 -3.61 -0.33 0.00 -0.02 0.00 0.00 54.58 50.83 1hrr n ASN 45 Cb 0.71 -0.37 -0.09 0.00 -2.36 0.00 0.00 39.78 37.67 1hrr n ASN 45 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1hrr s GLN 47 N -1.40 4.18 -1.12 0.00 0.74 0.11 -2.12 119.66 120.06 1hrr s GLN 47 Ca 0.18 2.46 0.00 0.00 0.05 0.00 0.00 55.36 58.05 1hrr s GLN 47 Cb -0.11 -3.09 0.00 0.00 1.10 0.00 0.00 33.01 30.90 1hrr s GLN 47 CO 0.08 -0.60 0.00 1.19 -0.55 0.00 0.00 175.29 175.41 1hrr n PHE 48 N 3.14 0.00 -2.40 1.67 3.72 0.16 -4.86 117.46 118.89 1hrr n PHE 48 Ca 0.11 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.08 1hrr n PHE 48 Cb 0.38 -2.15 -0.02 0.00 -0.94 0.00 0.00 39.48 36.74 1hrr n PHE 48 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 1hrr s MET 49 N -2.75 4.24 -0.16 -1.08 1.75 -0.90 -0.82 119.30 119.57 1hrr s MET 49 Ca 0.00 1.70 -0.04 0.00 -1.25 0.00 0.00 55.69 56.10 1hrr s MET 49 Cb 0.00 -3.76 -0.03 0.00 2.84 0.00 0.00 34.83 33.88 1hrr s MET 49 CO 0.00 -0.70 -0.03 -0.65 -0.65 0.00 0.00 175.02 173.00 1hrr s GLN 50 N 3.43 3.69 -0.14 4.11 -0.21 0.05 -4.96 119.66 125.63 1hrr s GLN 50 Ca 0.56 -0.51 0.16 0.00 0.02 0.00 0.00 55.36 55.60 1hrr s GLN 50 Cb -0.23 -2.95 -0.24 0.00 1.00 0.00 0.00 33.01 30.59 1hrr s GLN 50 CO 0.16 0.23 0.30 0.00 -2.12 0.00 0.00 175.29 173.85 1hrr n ALA 51 N 3.58 1.56 0.28 6.09 0.00 -1.26 -0.43 120.51 130.33 1hrr n ALA 51 Ca -0.17 -1.10 0.18 0.00 0.00 0.00 0.00 53.44 52.34 1hrr n ALA 51 Cb 0.52 -0.44 0.97 0.00 0.00 0.00 0.00 19.45 20.51 1hrr n ALA 51 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1hrr h ASP 52 N 0.00 0.00 -1.26 0.00 2.03 -1.97 -3.45 116.42 111.77 1hrr h ASP 52 Ca -0.43 0.00 -0.56 0.00 -0.73 0.00 0.00 57.03 55.30 1hrr h ASP 52 Cb 2.11 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 40.59 1hrr h ASP 52 CO 0.04 0.00 1.56 0.00 -1.03 0.00 0.00 179.24 179.81 1hrr n ALA 53 N -1.95 0.99 -1.67 4.15 0.00 -1.26 -4.85 120.51 115.92 1hrr n ALA 53 Ca -0.02 -0.42 -0.54 0.00 0.00 0.00 0.00 53.44 52.46 1hrr n ALA 53 Cb 0.08 -2.80 -0.06 0.00 0.00 0.00 0.00 19.45 16.67 1hrr n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hrr n ALA 54 N 12.33 -0.08 0.00 0.00 0.00 -1.26 -0.62 120.51 130.87 1hrr n ALA 54 Ca 0.41 0.41 0.00 0.00 0.00 0.00 0.00 53.44 54.26 1hrr n ALA 54 Cb 0.35 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.55 1hrr n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hrr n GLY 55 N 3.75 1.59 3.56 0.00 0.00 -1.26 -5.09 105.19 107.74 1hrr n GLY 55 Ca 0.23 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.78 1hrr n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hrr n ALA 56 N -0.14 -0.78 -3.00 4.61 0.00 0.20 -5.00 120.51 116.41 1hrr n ALA 56 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1hrr n ALA 56 Cb 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 17.48 1hrr n ALA 56 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1hrr n THR 57 N 0.63 0.00 0.03 0.00 -2.24 0.33 -4.98 114.28 108.05 1hrr n THR 57 Ca 0.13 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.89 1hrr n THR 57 Cb 0.28 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.51 1hrr n THR 57 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1hrr h ASP 58 N 0.00 -0.08 0.32 3.42 5.19 -1.94 -3.34 116.42 120.00 1hrr h ASP 58 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1hrr h ASP 58 Cb 0.00 0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.53 1hrr h ASP 58 CO 0.00 -0.01 -0.42 -0.62 -3.12 0.00 0.00 179.24 175.07 1hrr n GLU 59 N -2.48 0.44 -4.48 3.56 4.71 -1.26 -4.94 120.64 116.19 1hrr n GLU 59 Ca -0.01 -0.27 -0.34 0.00 -0.01 0.00 0.00 57.16 56.53 1hrr n GLU 59 Cb 0.04 -1.49 -0.14 0.00 -1.01 0.00 0.00 31.44 28.83 1hrr n GLU 59 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 1hrr s TRP 60 N -2.75 2.86 0.20 -0.32 0.52 -1.25 -0.62 118.94 117.58 1hrr s TRP 60 Ca 0.17 -0.79 -0.01 0.00 0.02 0.00 0.00 56.10 55.49 1hrr s TRP 60 Cb 0.18 -1.92 -0.04 0.00 -1.15 0.00 0.00 33.47 30.54 1hrr s TRP 60 CO 0.62 -0.34 0.11 0.15 0.02 0.00 0.00 176.95 177.51 1hrr s LYS 61 N 0.73 1.21 -0.88 4.98 3.01 0.26 -0.51 119.74 128.54 1hrr s LYS 61 Ca -0.05 -1.64 -0.13 0.00 -1.01 0.00 0.00 55.97 53.14 1hrr s LYS 61 Cb -0.15 0.16 0.23 0.00 -1.01 0.00 0.00 37.83 37.05 1hrr s LYS 61 CO 0.02 -0.36 0.84 0.20 0.51 0.00 0.00 175.35 176.56 1hrr s GLY 62 N -3.18 2.74 -0.08 -3.33 0.00 0.43 -0.30 107.32 103.60 1hrr s GLY 62 Ca 0.37 -3.40 -0.30 0.00 0.00 0.00 0.00 44.72 41.39 1hrr s GLY 62 CO 0.11 1.30 2.05 0.00 0.00 0.00 0.00 173.10 176.56 1hrr h GLN 64 N 11.82 0.51 0.00 0.00 4.15 -1.31 0.14 115.11 130.42 1hrr h GLN 64 Ca -0.46 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.93 1hrr h GLN 64 Cb 1.25 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.82 1hrr h GLN 64 CO 0.95 0.34 0.00 1.28 -1.93 0.00 0.00 178.83 179.47 1hrr n LEU 65 N -4.47 0.00 -3.20 -2.39 7.99 -1.26 -4.22 117.00 109.44 1hrr n LEU 65 Ca 0.06 0.00 -0.25 0.00 -0.01 0.00 0.00 56.01 55.81 1hrr n LEU 65 Cb 0.18 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.44 1hrr n LEU 65 CO 0.35 0.00 -0.01 0.33 -1.51 0.00 0.00 177.39 176.54 1hrr n PHE 66 N -0.97 2.56 -2.19 -1.77 -0.00 0.48 -5.10 117.46 110.48 1hrr n PHE 66 Ca 0.18 -3.96 -0.36 0.00 -0.00 0.00 0.00 57.45 53.31 1hrr n PHE 66 Cb 0.08 -0.48 0.01 0.00 -0.00 0.00 0.00 39.48 39.09 1hrr n PHE 66 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 1hrr s PRO 67 N -2.54 3.42 0.00 -7.13 0.04 -1.26 -3.43 135.00 124.10 1hrr s PRO 67 Ca 0.42 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.21 1hrr s PRO 67 Cb 0.22 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1hrr s PRO 67 CO -0.08 -0.82 0.00 0.41 0.04 0.00 0.00 177.00 176.55 1hrr n GLY 68 N 0.36 1.23 3.91 0.56 0.00 -1.26 -4.92 105.19 105.08 1hrr n GLY 68 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1hrr n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hrr s LYS 69 N 0.00 1.67 -0.07 1.61 1.02 -1.22 -4.89 119.74 117.86 1hrr s LYS 69 Ca 0.00 -0.07 0.02 0.00 0.02 0.00 0.00 55.97 55.94 1hrr s LYS 69 Cb 0.00 -1.95 0.01 0.00 -0.52 0.00 0.00 37.83 35.37 1hrr s LYS 69 CO 0.00 -1.75 -0.12 -0.51 -0.92 0.00 0.00 175.35 172.05 1hrr s LEU 70 N -5.61 1.61 0.78 3.17 1.43 0.16 -4.75 118.68 115.46 1hrr s LEU 70 Ca 0.65 -0.29 -0.12 0.00 -1.03 0.00 0.00 54.13 53.34 1hrr s LEU 70 Cb -0.09 -0.80 0.06 0.00 0.03 0.00 0.00 46.19 45.39 1hrr s LEU 70 CO 0.49 0.02 1.13 0.27 0.23 0.00 0.00 176.35 178.49 1hrr s ILE 71 N 0.71 2.80 -0.12 -0.59 -5.25 0.59 -0.38 121.20 118.96 1hrr s ILE 71 Ca -0.14 0.26 -0.16 0.00 -0.99 0.00 0.00 60.65 59.62 1hrr s ILE 71 Cb -0.16 -3.18 -0.05 0.00 2.95 0.00 0.00 42.46 42.03 1hrr s ILE 71 CO 0.03 -0.34 0.40 0.21 -1.79 0.00 0.00 174.94 173.45 1hrr s ASN 72 N -4.30 6.61 0.37 4.36 3.84 -1.26 -0.57 114.94 123.97 1hrr s ASN 72 Ca 0.60 0.72 0.15 0.00 0.21 0.00 0.00 52.86 54.54 1hrr s ASN 72 Cb -0.12 -2.24 1.03 0.00 -0.55 0.00 0.00 41.25 39.37 1hrr s ASN 72 CO 0.52 0.08 1.74 -0.37 -2.79 0.00 0.00 177.10 176.28 1hrr h VAL 73 N 4.59 0.50 0.00 -5.21 -1.51 -1.22 0.10 116.25 113.50 1hrr h VAL 73 Ca -0.42 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 64.89 1hrr h VAL 73 Cb 1.18 0.01 0.00 0.00 -2.13 0.00 0.00 31.29 30.35 1hrr h VAL 73 CO 0.74 0.08 0.00 0.59 -1.23 0.00 0.00 177.57 177.75 1hrr n ASN 74 N -4.75 0.00 -3.75 4.19 3.02 -1.26 -0.31 115.26 112.40 1hrr n ASN 74 Ca 0.27 0.50 -0.20 0.00 -0.03 0.00 0.00 54.58 55.12 1hrr n ASN 74 Cb 0.85 -0.50 0.12 0.00 -0.61 0.00 0.00 39.78 39.65 1hrr n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hrr n GLY 75 N 0.28 -0.27 3.27 7.41 0.00 0.36 -2.19 105.19 114.05 1hrr n GLY 75 Ca 0.04 -1.87 -0.12 0.00 0.00 0.00 0.00 46.02 44.07 1hrr n GLY 75 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1hrr s TRP 76 N -2.75 -0.17 0.16 1.61 -0.00 -0.22 -0.15 118.94 117.42 1hrr s TRP 76 Ca 0.54 0.10 0.00 0.00 -0.00 0.00 0.00 56.10 56.75 1hrr s TRP 76 Cb -0.02 0.14 -0.04 0.00 -0.00 0.00 0.00 33.47 33.54 1hrr s TRP 76 CO 0.37 -0.51 0.03 0.00 -0.00 0.00 0.00 176.95 176.84 1hrr h ALA 78 N 2.77 1.08 0.00 0.00 0.00 -1.00 0.11 119.26 122.21 1hrr h ALA 78 Ca -0.36 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1hrr h ALA 78 Cb 1.20 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1hrr h ALA 78 CO 0.61 -0.31 0.00 0.43 0.00 0.00 0.00 179.25 179.98 1hrr n SER 79 N -5.10 0.09 -4.62 0.00 7.64 -1.26 -4.83 113.62 105.53 1hrr n SER 79 Ca 0.16 0.53 -0.63 0.00 1.01 0.00 0.00 58.87 59.95 1hrr n SER 79 Cb 0.49 -0.55 -0.09 0.00 -1.01 0.00 0.00 64.21 63.06 1hrr n SER 79 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 1hrr n TRP 80 N -1.61 1.22 -3.79 1.43 -0.00 0.02 -4.95 117.44 109.75 1hrr n TRP 80 Ca 0.01 1.07 -0.13 0.00 -0.00 0.00 0.00 57.50 58.45 1hrr n TRP 80 Cb 0.06 -2.17 -0.14 0.00 -0.00 0.00 0.00 31.31 29.06 1hrr n TRP 80 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 1hrr s THR 81 N 1.48 -0.03 0.18 5.87 2.01 -1.26 -4.86 115.64 119.04 1hrr s THR 81 Ca 0.97 0.09 -0.33 0.00 0.31 0.00 0.00 61.69 62.73 1hrr s THR 81 Cb -1.36 -0.19 -0.14 0.00 0.01 0.00 0.00 72.50 70.82 1hrr s THR 81 CO 0.68 0.04 1.50 -0.11 -0.69 0.00 0.00 174.62 176.04 1hrr n LEU 82 N 3.62 2.97 -4.52 4.42 0.00 -1.26 0.08 117.00 122.31 1hrr n LEU 82 Ca -0.20 1.10 -0.21 0.00 0.00 0.00 0.00 56.01 56.70 1hrr n LEU 82 Cb 0.55 -1.41 -0.18 0.00 0.00 0.00 0.00 43.42 42.39 1hrr n LEU 82 CO 0.20 -0.42 1.87 1.17 0.00 0.00 0.00 177.39 180.21 1hrr n LYS 83 N 2.91 0.18 -3.38 1.96 3.00 0.14 -3.98 118.16 118.98 1hrr n LYS 83 Ca 0.15 -0.22 -0.26 0.00 -0.00 0.00 0.00 58.31 57.98 1hrr n LYS 83 Cb 0.29 -1.81 -0.08 0.00 0.00 0.00 0.00 35.03 33.42 1hrr n LYS 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1hrr n ALA 84 N 9.64 3.42 0.00 3.14 0.00 -1.26 -4.90 120.51 130.55 1hrr n ALA 84 Ca 0.61 -4.22 0.00 0.00 0.00 0.00 0.00 53.44 49.84 1hrr n ALA 84 Cb 0.22 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1hrr n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91