#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 3.50 0.81 -0.43 0.00 -1.26 -4.67 121.76 119.71 1hrr s ALA 2 Ca 0.00 0.32 -0.11 0.00 0.00 0.00 0.00 51.96 52.17 1hrr s ALA 2 Cb 0.00 -3.48 0.08 0.00 0.00 0.00 0.00 23.12 19.72 1hrr s ALA 2 CO 0.00 -0.76 1.09 -1.25 0.00 0.00 0.00 175.76 174.84 1hrr s PRO 3 N 2.43 1.96 0.13 0.00 0.04 -1.26 -4.96 135.00 133.34 1hrr s PRO 3 Ca 0.47 1.02 -0.17 0.00 0.04 0.00 0.00 61.00 62.36 1hrr s PRO 3 Cb -0.17 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 1hrr s PRO 3 CO 0.14 -1.81 1.74 0.00 0.04 0.00 0.00 177.00 177.11 1hrr h ALA 4 N -1.24 0.44 -0.14 8.56 0.00 -1.99 -2.83 119.26 122.06 1hrr h ALA 4 Ca -0.46 -0.07 -0.27 0.00 0.00 0.00 0.00 54.91 54.11 1hrr h ALA 4 Cb 1.25 -0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.80 1hrr h ALA 4 CO 0.53 -0.03 -0.18 0.27 0.00 0.00 0.00 179.25 179.83 1hrr n ASN 5 N -4.78 5.56 -4.74 0.00 6.94 -1.26 -4.89 115.26 112.09 1hrr n ASN 5 Ca -0.01 -2.67 -0.40 0.00 -0.02 0.00 0.00 54.58 51.48 1hrr n ASN 5 Cb 0.08 -1.37 -0.05 0.00 -2.36 0.00 0.00 39.78 36.08 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 0.28 3.38 -0.36 -2.53 0.00 -1.07 0.24 121.76 121.71 1hrr s ALA 6 Ca 0.64 0.22 -0.29 0.00 0.00 0.00 0.00 51.96 52.54 1hrr s ALA 6 Cb 0.33 -2.95 -0.01 0.00 0.00 0.00 0.00 23.12 20.50 1hrr s ALA 6 CO -0.06 0.05 1.61 0.08 0.00 0.00 0.00 175.76 177.45 1hrr s VAL 7 N 0.06 3.68 0.43 0.00 1.01 0.57 -4.79 120.40 121.36 1hrr s VAL 7 Ca 0.37 0.70 -0.23 0.00 0.00 0.00 0.00 61.98 62.83 1hrr s VAL 7 Cb -0.20 -3.90 -0.09 0.00 0.00 0.00 0.00 36.38 32.20 1hrr s VAL 7 CO 0.21 -0.55 1.04 0.00 0.00 0.00 0.00 175.10 175.80 1hrr s ALA 8 N 6.09 3.02 0.30 5.51 0.00 -1.26 -4.77 121.76 130.66 1hrr s ALA 8 Ca 0.71 0.66 0.06 0.00 0.00 0.00 0.00 51.96 53.39 1hrr s ALA 8 Cb -0.19 -3.26 0.78 0.00 0.00 0.00 0.00 23.12 20.45 1hrr s ALA 8 CO 0.33 -0.23 1.72 0.00 0.00 0.00 0.00 175.76 177.58 1hrr h ALA 9 N 2.19 1.59 -0.39 0.00 0.00 -1.94 -0.46 119.26 120.25 1hrr h ALA 9 Ca -0.49 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1hrr h ALA 9 Cb 1.22 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1hrr h ALA 9 CO 0.61 -0.26 0.00 -3.47 0.00 0.00 0.00 179.25 176.14 1hrr n ASP 10 N -4.93 2.40 -4.70 0.00 2.03 -1.26 -4.30 116.55 105.79 1hrr n ASP 10 Ca 0.24 -2.08 -0.37 0.00 0.52 0.00 0.00 54.79 53.10 1hrr n ASP 10 Cb 0.66 -0.32 0.07 0.00 -0.72 0.00 0.00 41.12 40.81 1hrr n ASP 10 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1hrr n ASP 11 N 0.64 1.70 -0.13 1.67 2.03 -0.18 -4.82 116.55 117.45 1hrr n ASP 11 Ca 0.14 0.82 -0.11 0.00 0.52 0.00 0.00 54.79 56.16 1hrr n ASP 11 Cb 0.41 -1.51 -0.02 0.00 -0.72 0.00 0.00 41.12 39.28 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 0.49 0.51 -0.61 -1.67 0.00 -1.92 0.12 119.26 116.18 1hrr h ALA 12 Ca -0.50 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.10 1hrr h ALA 12 Cb 1.35 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1hrr h ALA 12 CO 0.52 0.33 0.28 1.15 0.00 0.00 0.00 179.25 181.53 1hrr h THR 13 N 0.50 1.22 -0.39 0.00 2.02 -1.95 -1.18 112.91 113.12 1hrr h THR 13 Ca 0.10 -0.63 0.03 0.00 0.77 0.00 0.00 66.41 66.68 1hrr h THR 13 Cb 0.54 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 1hrr h THR 13 CO 0.03 0.25 0.20 0.00 0.37 0.00 0.00 175.52 176.37 1hrr h ALA 14 N 1.12 0.49 -0.05 6.16 0.00 -1.68 -0.24 119.26 125.06 1hrr h ALA 14 Ca 0.21 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1hrr h ALA 14 Cb 0.14 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1hrr h ALA 14 CO -0.02 -0.16 -0.17 0.82 0.00 0.00 0.00 179.25 179.72 1hrr h ILE 15 N 0.40 0.58 -0.95 0.00 2.04 -0.51 0.51 117.51 119.59 1hrr h ILE 15 Ca 0.17 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.17 1hrr h ILE 15 Cb 0.07 0.58 -0.08 0.00 -0.74 0.00 0.00 36.82 36.66 1hrr h ILE 15 CO -0.12 0.00 0.60 0.00 0.00 0.00 0.00 178.15 178.64 1hrr h ALA 16 N 0.72 1.69 0.00 1.87 0.00 -0.68 -0.34 119.26 122.52 1hrr h ALA 16 Ca 0.07 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1hrr h ALA 16 Cb 0.34 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1hrr h ALA 16 CO -0.19 0.06 -0.20 1.28 0.00 0.00 0.00 179.25 180.19 1hrr n LEU 17 N -4.61 0.27 -4.01 0.00 4.77 -0.15 -4.93 117.00 108.34 1hrr n LEU 17 Ca 0.19 0.33 -0.26 0.00 -0.03 0.00 0.00 56.01 56.23 1hrr n LEU 17 Cb 0.43 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 1hrr n LEU 17 CO 0.28 0.02 -0.26 0.29 -1.33 0.00 0.00 177.39 176.39 1hrr n LYS 18 N -1.60 -3.01 -2.61 3.23 4.76 0.16 -0.67 118.16 118.42 1hrr n LYS 18 Ca 0.06 0.37 -0.35 0.00 -2.87 0.00 0.00 58.31 55.51 1hrr n LYS 18 Cb 0.35 -4.44 -0.05 0.00 -1.84 0.00 0.00 35.03 29.06 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 -3.99 3.24 -0.01 2.13 5.04 0.17 -4.06 117.35 119.88 1hrr s TYR 19 Ca 0.03 1.63 0.04 0.00 -2.44 0.00 0.00 57.07 56.34 1hrr s TYR 19 Cb -0.02 -3.05 -0.01 0.00 0.35 0.00 0.00 41.96 39.23 1hrr s TYR 19 CO 0.90 -0.52 -0.14 1.21 -1.34 0.00 0.00 175.55 175.66 1hrr s ASN 20 N -1.77 1.69 0.21 4.32 3.84 0.10 -4.79 114.94 118.53 1hrr s ASN 20 Ca 0.60 -0.26 -0.09 0.00 0.21 0.00 0.00 52.86 53.32 1hrr s ASN 20 Cb -0.18 -0.20 0.19 0.00 -0.55 0.00 0.00 41.25 40.51 1hrr s ASN 20 CO 0.23 0.17 1.87 1.56 -2.79 0.00 0.00 177.10 178.14 1hrr h GLN 21 N 5.80 0.96 -4.40 0.43 4.20 -1.88 -0.34 115.11 119.88 1hrr h GLN 21 Ca -0.34 -0.06 -0.72 0.00 0.06 0.00 0.00 58.65 57.59 1hrr h GLN 21 Cb 1.16 -0.22 -0.28 0.00 0.30 0.00 0.00 27.48 28.45 1hrr h GLN 21 CO 0.49 0.63 -0.44 0.34 -0.67 0.00 0.00 178.83 179.19 1hrr s ASP 22 N -5.84 5.71 0.55 1.46 -1.08 -1.26 -1.52 116.67 114.69 1hrr s ASP 22 Ca -0.13 -1.56 0.26 0.00 -0.52 0.00 0.00 52.55 50.60 1hrr s ASP 22 Cb 0.16 -2.02 1.47 0.00 -1.46 0.00 0.00 42.92 41.07 1hrr s ASP 22 CO 0.78 -0.58 2.02 0.00 0.52 0.00 0.00 175.17 177.91 1hrr h ALA 23 N 8.46 2.24 0.00 3.66 0.00 -1.01 -0.32 119.26 132.29 1hrr h ALA 23 Ca -0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1hrr h ALA 23 Cb 1.08 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1hrr h ALA 23 CO 0.79 -0.53 0.00 0.25 0.00 0.00 0.00 179.25 179.76 1hrr n THR 24 N -4.14 1.13 -0.69 0.00 -2.24 -1.26 -0.89 114.28 106.19 1hrr n THR 24 Ca 0.07 0.30 0.07 0.00 -2.27 0.00 0.00 64.05 62.22 1hrr n THR 24 Cb 0.51 -1.12 0.16 0.00 -2.10 0.00 0.00 70.33 67.78 1hrr n THR 24 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1hrr n LYS 25 N -1.62 2.43 -2.08 -0.78 4.01 -0.14 -5.01 118.16 114.97 1hrr n LYS 25 Ca 0.03 -2.37 -0.31 0.00 -0.51 0.00 0.00 58.31 55.14 1hrr n LYS 25 Cb 0.15 -1.48 -0.01 0.00 -0.51 0.00 0.00 35.03 33.18 1hrr n LYS 25 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1hrr s SER 26 N -1.88 6.37 0.00 4.39 0.15 -0.07 -4.97 113.70 117.70 1hrr s SER 26 Ca 0.28 1.46 0.12 0.00 0.70 0.00 0.00 55.95 58.51 1hrr s SER 26 Cb 0.22 -2.48 0.70 0.00 -1.71 0.00 0.00 66.02 62.75 1hrr s SER 26 CO 0.07 -0.76 1.17 -1.84 1.20 0.00 0.00 173.24 173.07 1hrr n GLU 27 N -2.31 0.60 -0.34 5.44 0.00 -1.26 -4.35 120.64 118.42 1hrr n GLU 27 Ca 0.06 0.00 0.20 0.00 0.00 0.00 0.00 57.16 57.42 1hrr n GLU 27 Cb 0.54 -1.31 0.41 0.00 0.00 0.00 0.00 31.44 31.09 1hrr n GLU 27 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.13 177.20 1hrr h ARG 28 N 0.00 0.46 -0.70 3.44 0.11 -1.93 0.37 114.38 116.12 1hrr h ARG 28 Ca 0.00 -0.03 0.05 0.00 0.10 0.00 0.00 59.98 60.10 1hrr h ARG 28 Cb 0.00 -0.10 -0.05 0.00 1.11 0.00 0.00 29.97 30.93 1hrr h ARG 28 CO 0.00 0.30 0.41 0.28 0.10 0.00 0.00 179.97 181.07 1hrr h VAL 29 N 0.47 1.02 -0.18 0.08 2.07 -1.88 0.30 116.25 118.13 1hrr h VAL 29 Ca 0.67 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 67.86 1hrr h VAL 29 Cb 1.39 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1hrr h VAL 29 CO -0.53 0.14 -0.13 0.00 0.02 0.00 0.00 177.57 177.07 1hrr h ALA 30 N 1.33 0.26 -0.83 1.67 0.00 -0.69 -3.21 119.26 117.79 1hrr h ALA 30 Ca 0.30 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1hrr h ALA 30 Cb 0.12 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1hrr h ALA 30 CO -0.15 0.13 0.46 0.00 0.00 0.00 0.00 179.25 179.68 1hrr h ALA 31 N 0.65 1.07 -6.98 0.00 0.00 -0.73 -3.47 119.26 109.80 1hrr h ALA 31 Ca 0.03 -0.12 -0.57 0.00 0.00 0.00 0.00 54.91 54.25 1hrr h ALA 31 Cb 0.65 -0.33 -0.10 0.00 0.00 0.00 0.00 17.79 18.00 1hrr h ALA 31 CO 0.04 0.57 -0.92 0.00 0.00 0.00 0.00 179.25 178.93 1hrr n ALA 32 N -2.38 -2.23 -1.73 0.00 0.00 0.10 -4.90 120.51 109.38 1hrr n ALA 32 Ca 0.08 -0.48 -0.38 0.00 0.00 0.00 0.00 53.44 52.66 1hrr n ALA 32 Cb 0.09 -1.59 0.05 0.00 0.00 0.00 0.00 19.45 18.00 1hrr n ALA 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1hrr n ARG 33 N -4.59 1.55 -0.99 0.00 1.74 -1.26 -4.99 116.66 108.12 1hrr n ARG 33 Ca -0.20 0.57 -0.30 0.00 -0.77 0.00 0.00 57.85 57.15 1hrr n ARG 33 Cb 0.58 -2.51 0.16 0.00 -1.02 0.00 0.00 32.46 29.66 1hrr n ARG 33 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1hrr s PRO 34 N -2.89 1.00 0.00 5.56 0.04 -1.26 -4.50 135.00 132.95 1hrr s PRO 34 Ca 0.73 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1hrr s PRO 34 Cb -0.42 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1hrr s PRO 34 CO 0.48 -2.48 0.00 0.41 0.04 0.00 0.00 177.00 175.45 1hrr n GLY 35 N -0.53 2.48 3.54 0.56 0.00 -1.26 -4.75 105.19 105.23 1hrr n GLY 35 Ca 0.08 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.36 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 0.17 0.57 0.99 2.96 -1.26 -5.01 118.68 117.09 1hrr s LEU 36 Ca 0.00 -0.58 -0.18 0.00 -0.22 0.00 0.00 54.13 53.15 1hrr s LEU 36 Cb 0.00 2.05 -0.05 0.00 0.50 0.00 0.00 46.19 48.69 1hrr s LEU 36 CO 0.00 -1.07 1.10 -2.16 -1.32 0.00 0.00 176.35 172.90 1hrr s PRO 37 N -3.90 3.30 0.24 0.98 0.04 -1.26 -4.79 135.00 129.60 1hrr s PRO 37 Ca 0.12 1.47 -0.05 0.00 0.04 0.00 0.00 61.00 62.58 1hrr s PRO 37 Cb -0.01 -2.01 0.43 0.00 0.04 0.00 0.00 34.50 32.95 1hrr s PRO 37 CO -0.00 -0.86 1.74 -1.00 0.04 0.00 0.00 177.00 176.91 1hrr h PRO 38 N 0.90 0.45 0.00 0.56 0.13 -1.87 -0.77 132.00 131.39 1hrr h PRO 38 Ca -0.49 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.59 1hrr h PRO 38 Cb 1.25 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 1hrr h PRO 38 CO 0.57 0.30 -0.10 0.93 -0.23 0.00 0.00 178.00 179.46 1hrr h GLU 39 N 0.46 0.00 0.00 0.86 4.39 -1.93 0.19 114.58 118.55 1hrr h GLU 39 Ca 0.40 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.10 1hrr h GLU 39 Cb 0.58 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1hrr h GLU 39 CO -0.38 0.10 -0.01 0.39 -1.16 0.00 0.00 179.01 177.95 1hrr n GLU 40 N -3.80 0.18 -2.51 2.33 1.02 -0.30 -4.81 120.64 112.75 1hrr n GLU 40 Ca -0.02 0.14 -0.43 0.00 -0.02 0.00 0.00 57.16 56.83 1hrr n GLU 40 Cb 0.20 -1.70 -0.02 0.00 -0.02 0.00 0.00 31.44 29.90 1hrr n GLU 40 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1hrr s GLN 41 N -3.07 4.15 0.23 3.49 -0.21 0.65 -4.88 119.66 120.03 1hrr s GLN 41 Ca 0.12 1.43 -0.22 0.00 0.02 0.00 0.00 55.36 56.71 1hrr s GLN 41 Cb 0.15 -3.75 0.04 0.00 1.00 0.00 0.00 33.01 30.44 1hrr s GLN 41 CO 0.58 -0.80 0.71 -3.38 -2.12 0.00 0.00 175.29 170.28 1hrr s HIS 42 N 3.62 -0.29 0.34 0.91 -3.43 -1.26 -4.81 115.29 110.38 1hrr s HIS 42 Ca 0.51 -0.08 0.12 0.00 -0.80 0.00 0.00 55.06 54.81 1hrr s HIS 42 Cb -0.18 0.66 0.95 0.00 -1.43 0.00 0.00 32.58 32.58 1hrr s HIS 42 CO 0.14 -1.08 1.75 0.00 -2.00 0.00 0.00 174.74 173.54 1hrr n ALA 44 N -2.37 0.40 -1.20 0.00 0.00 0.63 -0.77 120.51 117.21 1hrr n ALA 44 Ca 0.26 0.91 0.07 0.00 0.00 0.00 0.00 53.44 54.68 1hrr n ALA 44 Cb 0.78 -0.65 0.19 0.00 0.00 0.00 0.00 19.45 19.77 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 -5.23 2.59 -4.76 0.00 6.94 -0.17 -5.02 115.26 109.61 1hrr n ASN 45 Ca 0.19 -3.31 -0.40 0.00 -0.02 0.00 0.00 54.58 51.04 1hrr n ASN 45 Cb 0.62 -0.50 -0.06 0.00 -2.36 0.00 0.00 39.78 37.48 1hrr n ASN 45 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1hrr h GLN 47 N 4.32 -0.43 -0.79 0.00 5.75 -0.36 -1.41 115.11 122.19 1hrr h GLN 47 Ca -0.45 0.03 -0.35 0.00 -0.15 0.00 0.00 58.65 57.73 1hrr h GLN 47 Cb 1.20 0.10 -0.21 0.00 1.07 0.00 0.00 27.48 29.64 1hrr h GLN 47 CO 0.68 -0.29 0.39 1.19 -2.65 0.00 0.00 178.83 178.15 1hrr n PHE 48 N -4.74 2.50 -2.05 3.99 3.72 -1.26 -4.62 117.46 115.00 1hrr n PHE 48 Ca -0.05 -1.55 -0.42 0.00 -0.05 0.00 0.00 57.45 55.38 1hrr n PHE 48 Cb 0.29 -0.77 -0.03 0.00 -0.94 0.00 0.00 39.48 38.03 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 -3.17 4.28 -0.10 -1.08 -2.45 -0.53 -2.11 119.30 114.14 1hrr s MET 49 Ca 0.54 2.24 0.03 0.00 -1.25 0.00 0.00 55.69 57.25 1hrr s MET 49 Cb 0.45 -3.16 -0.01 0.00 1.25 0.00 0.00 34.83 33.36 1hrr s MET 49 CO 0.10 -0.46 -0.21 -0.65 1.05 0.00 0.00 175.02 174.86 1hrr s GLN 50 N 0.42 3.00 0.18 4.11 -0.21 0.57 -4.91 119.66 122.81 1hrr s GLN 50 Ca 0.63 -0.83 0.13 0.00 0.02 0.00 0.00 55.36 55.31 1hrr s GLN 50 Cb -0.41 -2.36 -0.06 0.00 1.00 0.00 0.00 33.01 31.18 1hrr s GLN 50 CO 0.36 0.26 1.26 0.00 -2.12 0.00 0.00 175.29 175.05 1hrr h ALA 51 N 6.49 0.58 0.00 6.09 0.00 -1.95 0.63 119.26 131.10 1hrr h ALA 51 Ca -0.25 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 53.96 1hrr h ALA 51 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1hrr h ALA 51 CO 0.49 0.91 0.00 -0.25 0.00 0.00 0.00 179.25 180.40 1hrr n ASP 52 N -3.20 0.00 0.00 0.00 9.92 -1.26 -4.19 116.55 117.82 1hrr n ASP 52 Ca -0.01 -0.36 0.09 0.00 -0.53 0.00 0.00 54.79 53.98 1hrr n ASP 52 Cb 0.83 -0.13 0.56 0.00 -0.64 0.00 0.00 41.12 41.74 1hrr n ASP 52 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1hrr n ALA 53 N -1.13 2.36 -1.38 2.24 0.00 -1.26 -4.98 120.51 116.36 1hrr n ALA 53 Ca 0.13 -0.12 0.16 0.00 0.00 0.00 0.00 53.44 53.61 1hrr n ALA 53 Cb 0.11 -1.30 -0.09 0.00 0.00 0.00 0.00 19.45 18.17 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 -0.89 -3.58 0.00 0.00 0.00 -1.26 -4.81 120.51 109.98 1hrr n ALA 54 Ca 0.14 0.89 0.00 0.00 0.00 0.00 0.00 53.44 54.47 1hrr n ALA 54 Cb 0.06 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.00 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 -4.19 1.79 3.57 0.00 0.00 -1.26 -4.90 105.19 100.20 1hrr n GLY 55 Ca -0.09 0.00 -0.61 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 -2.90 -2.36 4.61 0.00 -1.26 -4.97 120.51 113.63 1hrr n ALA 56 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1hrr n ALA 56 Cb 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 17.63 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 2.21 0.00 0.00 0.00 -2.24 0.54 -4.96 114.28 109.82 1hrr n THR 57 Ca 0.23 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 1hrr n THR 57 Cb 0.05 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 1hrr n THR 57 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1hrr n ASP 58 N 0.00 0.00 -0.15 3.42 5.68 -1.26 -4.14 116.55 120.10 1hrr n ASP 58 Ca 0.00 0.48 0.14 0.00 -0.50 0.00 0.00 54.79 54.90 1hrr n ASP 58 Cb 0.00 -0.40 0.50 0.00 -1.14 0.00 0.00 41.12 40.08 1hrr n ASP 58 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1hrr n GLU 59 N -1.69 0.66 -4.74 0.11 4.71 -1.26 -4.91 120.64 113.51 1hrr n GLU 59 Ca 0.00 -0.30 -0.33 0.00 -0.01 0.00 0.00 57.16 56.53 1hrr n GLU 59 Cb 0.00 -1.49 -0.16 0.00 -1.01 0.00 0.00 31.44 28.78 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 -2.55 2.71 0.32 -0.32 0.52 -1.26 -0.57 118.94 117.80 1hrr s TRP 60 Ca 0.25 -1.05 0.04 0.00 0.02 0.00 0.00 56.10 55.36 1hrr s TRP 60 Cb 0.19 -1.83 -0.03 0.00 -1.15 0.00 0.00 33.47 30.65 1hrr s TRP 60 CO 0.51 -0.46 0.18 0.15 0.02 0.00 0.00 176.95 177.35 1hrr s LYS 61 N 0.65 1.66 -0.24 4.98 3.01 0.30 -0.34 119.74 129.76 1hrr s LYS 61 Ca -0.09 -1.96 -0.17 0.00 -1.01 0.00 0.00 55.97 52.73 1hrr s LYS 61 Cb -0.16 -0.08 -0.03 0.00 -1.01 0.00 0.00 37.83 36.54 1hrr s LYS 61 CO 0.02 -0.49 0.47 0.20 0.51 0.00 0.00 175.35 176.06 1hrr s GLY 62 N -3.40 1.95 -0.20 -3.33 0.00 0.21 -0.55 107.32 102.00 1hrr s GLY 62 Ca 0.35 -0.58 -0.23 0.00 0.00 0.00 0.00 44.72 44.26 1hrr s GLY 62 CO 0.19 1.07 0.74 0.00 0.00 0.00 0.00 173.10 175.10 1hrr n GLN 64 N 5.34 0.00 -2.78 0.00 6.02 -0.90 -0.21 117.38 124.86 1hrr n GLN 64 Ca 0.02 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.81 1hrr n GLN 64 Cb 0.49 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.74 1hrr n GLN 64 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1hrr n LEU 65 N 0.00 2.89 -4.13 1.08 4.77 -1.26 -4.98 117.00 115.37 1hrr n LEU 65 Ca 0.00 -4.82 -0.37 0.00 -0.03 0.00 0.00 56.01 50.79 1hrr n LEU 65 Cb 0.00 0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 1hrr n LEU 65 CO 0.00 2.07 0.41 0.33 -1.33 0.00 0.00 177.39 178.87 1hrr n PHE 66 N -0.15 4.33 -2.15 -1.77 -0.00 0.71 -5.08 117.46 113.34 1hrr n PHE 66 Ca 0.26 -4.09 -0.39 0.00 -0.00 0.00 0.00 57.45 53.23 1hrr n PHE 66 Cb 0.65 -1.20 -0.01 0.00 -0.00 0.00 0.00 39.48 38.92 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 -1.42 3.99 0.00 -7.13 0.04 -1.26 -3.69 135.00 125.53 1hrr s PRO 67 Ca 0.28 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.34 1hrr s PRO 67 Cb -0.07 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.76 1hrr s PRO 67 CO -0.12 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 176.90 1hrr n GLY 68 N 0.67 1.36 3.88 0.56 0.00 -1.26 -4.92 105.19 105.47 1hrr n GLY 68 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 3.28 -0.05 1.61 1.02 -1.24 -4.86 119.74 119.50 1hrr s LYS 69 Ca 0.00 0.61 0.04 0.00 0.02 0.00 0.00 55.97 56.65 1hrr s LYS 69 Cb 0.00 -2.06 -0.00 0.00 -0.52 0.00 0.00 37.83 35.24 1hrr s LYS 69 CO 0.00 -0.76 -0.18 -0.51 -0.92 0.00 0.00 175.35 172.98 1hrr s LEU 70 N -5.25 1.93 0.41 3.17 1.43 0.14 -4.67 118.68 115.84 1hrr s LEU 70 Ca 0.56 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 53.28 1hrr s LEU 70 Cb -0.11 -1.03 -0.02 0.00 0.03 0.00 0.00 46.19 45.05 1hrr s LEU 70 CO 0.53 0.16 0.64 0.27 0.23 0.00 0.00 176.35 178.18 1hrr s ILE 71 N 0.05 4.67 -0.01 -0.59 -0.00 0.29 -0.31 121.20 125.30 1hrr s ILE 71 Ca -0.05 -0.35 -0.23 0.00 -0.00 0.00 0.00 60.65 60.03 1hrr s ILE 71 Cb -0.12 -3.73 -0.05 0.00 -0.00 0.00 0.00 42.46 38.56 1hrr s ILE 71 CO 0.03 -0.53 0.67 0.21 -0.00 0.00 0.00 174.94 175.32 1hrr s ASN 72 N -4.11 7.04 0.40 4.36 3.84 -1.26 -0.54 114.94 124.67 1hrr s ASN 72 Ca 0.44 1.25 0.17 0.00 0.21 0.00 0.00 52.86 54.93 1hrr s ASN 72 Cb -0.10 -2.41 1.07 0.00 -0.55 0.00 0.00 41.25 39.27 1hrr s ASN 72 CO 0.38 0.02 1.80 -0.37 -2.79 0.00 0.00 177.10 176.14 1hrr h VAL 73 N 4.31 0.60 0.00 -5.21 -1.51 -1.17 0.12 116.25 113.39 1hrr h VAL 73 Ca -0.44 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 64.89 1hrr h VAL 73 Cb 1.20 0.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.50 1hrr h VAL 73 CO 0.72 0.08 0.00 0.59 -1.23 0.00 0.00 177.57 177.72 1hrr n ASN 74 N -4.58 0.00 -3.53 4.19 3.02 -1.26 -0.27 115.26 112.83 1hrr n ASN 74 Ca 0.23 0.07 -0.18 0.00 -0.03 0.00 0.00 54.58 54.66 1hrr n ASN 74 Cb 0.79 -0.31 0.12 0.00 -0.61 0.00 0.00 39.78 39.76 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 0.38 -0.46 3.34 7.41 0.00 0.43 -0.59 105.19 115.70 1hrr n GLY 75 Ca 0.09 -1.84 -0.13 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.60 -0.31 0.19 1.61 -0.00 -0.14 -0.21 118.94 117.48 1hrr s TRP 76 Ca 0.50 0.29 -0.03 0.00 -0.00 0.00 0.00 56.10 56.85 1hrr s TRP 76 Cb -0.02 0.25 -0.03 0.00 -0.00 0.00 0.00 33.47 33.67 1hrr s TRP 76 CO 0.34 -0.59 0.18 0.00 -0.00 0.00 0.00 176.95 176.87 1hrr h ALA 78 N 2.60 2.24 0.00 0.00 0.00 -1.04 0.11 119.26 123.18 1hrr h ALA 78 Ca -0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1hrr h ALA 78 Cb 1.24 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1hrr h ALA 78 CO 0.51 -0.39 0.00 0.43 0.00 0.00 0.00 179.25 179.81 1hrr n SER 79 N -4.35 0.00 -4.59 0.00 7.64 -1.26 -4.92 113.62 106.13 1hrr n SER 79 Ca 0.04 -0.20 -0.54 0.00 1.01 0.00 0.00 58.87 59.18 1hrr n SER 79 Cb 0.40 -0.25 -0.06 0.00 -1.01 0.00 0.00 64.21 63.29 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 -1.25 1.43 -3.82 1.43 -0.00 0.02 -4.97 117.44 110.29 1hrr n TRP 80 Ca 0.14 0.71 -0.13 0.00 -0.00 0.00 0.00 57.50 58.22 1hrr n TRP 80 Cb 0.19 -2.30 -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 0.77 -0.01 0.44 5.87 2.01 -1.26 -4.99 115.64 118.46 1hrr s THR 81 Ca 0.87 0.05 -0.24 0.00 0.31 0.00 0.00 61.69 62.69 1hrr s THR 81 Cb -1.03 -0.12 -0.08 0.00 0.01 0.00 0.00 72.50 71.28 1hrr s THR 81 CO 0.51 0.02 1.17 -0.22 -0.69 0.00 0.00 174.62 175.41 1hrr s LEU 82 N 0.34 4.08 -0.83 4.42 0.20 0.14 0.25 118.68 127.29 1hrr s LEU 82 Ca -0.03 2.32 -0.30 0.00 0.69 0.00 0.00 54.13 56.82 1hrr s LEU 82 Cb -0.04 -4.15 -0.18 0.00 -0.43 0.00 0.00 46.19 41.39 1hrr s LEU 82 CO -0.01 -0.82 2.59 0.29 -0.29 0.00 0.00 176.35 178.11 1hrr n LYS 83 N -0.27 0.31 -3.31 1.98 4.76 0.15 -0.29 118.16 121.49 1hrr n LYS 83 Ca 0.06 0.01 -0.16 0.00 -2.87 0.00 0.00 58.31 55.35 1hrr n LYS 83 Cb 0.47 -2.04 0.08 0.00 -1.84 0.00 0.00 35.03 31.70 1hrr n LYS 83 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1hrr n ALA 84 N 11.82 -1.87 -0.69 7.82 0.00 -1.26 -5.00 120.51 131.33 1hrr n ALA 84 Ca 0.57 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1hrr n ALA 84 Cb 0.17 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.27 1hrr n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91