#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 -1.73 0.82 -0.43 0.00 -1.26 -4.90 121.76 114.25 1hrr s ALA 2 Ca 0.00 1.55 -0.11 0.00 0.00 0.00 0.00 51.96 53.40 1hrr s ALA 2 Cb 0.00 -1.88 0.08 0.00 0.00 0.00 0.00 23.12 21.33 1hrr s ALA 2 CO 0.00 -1.21 1.09 -1.25 0.00 0.00 0.00 175.76 174.39 1hrr s PRO 3 N 2.73 1.90 0.11 0.00 0.04 -1.26 -4.96 135.00 133.56 1hrr s PRO 3 Ca 0.13 0.89 -0.20 0.00 0.04 0.00 0.00 61.00 61.87 1hrr s PRO 3 Cb -0.15 -1.88 -0.08 0.00 0.04 0.00 0.00 34.50 32.44 1hrr s PRO 3 CO -0.18 -1.82 1.71 0.00 0.04 0.00 0.00 177.00 176.75 1hrr h ALA 4 N -1.24 0.25 -0.07 8.56 0.00 -2.01 -2.65 119.26 122.09 1hrr h ALA 4 Ca -0.47 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.20 1hrr h ALA 4 Cb 1.26 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 1hrr h ALA 4 CO 0.55 -0.23 -0.19 0.27 0.00 0.00 0.00 179.25 179.65 1hrr n ASN 5 N -4.91 5.44 -4.77 0.00 6.94 -1.26 -4.87 115.26 111.83 1hrr n ASN 5 Ca -0.04 -2.56 -0.39 0.00 -0.02 0.00 0.00 54.58 51.57 1hrr n ASN 5 Cb 0.07 -1.32 -0.06 0.00 -2.36 0.00 0.00 39.78 36.11 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 0.39 3.44 0.03 -2.53 0.00 -1.00 0.33 121.76 122.42 1hrr s ALA 6 Ca 0.50 0.24 -0.30 0.00 0.00 0.00 0.00 51.96 52.40 1hrr s ALA 6 Cb 0.25 -2.91 -0.08 0.00 0.00 0.00 0.00 23.12 20.39 1hrr s ALA 6 CO -0.02 0.19 1.71 0.08 0.00 0.00 0.00 175.76 177.72 1hrr s VAL 7 N -0.55 3.17 0.24 0.00 1.01 0.23 -4.80 120.40 119.71 1hrr s VAL 7 Ca 0.35 0.46 -0.18 0.00 0.00 0.00 0.00 61.98 62.62 1hrr s VAL 7 Cb -0.21 -3.30 -0.08 0.00 0.00 0.00 0.00 36.38 32.79 1hrr s VAL 7 CO 0.23 -0.02 0.71 0.00 0.00 0.00 0.00 175.10 176.02 1hrr s ALA 8 N 3.31 3.40 0.27 5.51 0.00 -1.26 -4.93 121.76 128.07 1hrr s ALA 8 Ca 0.76 0.11 -0.01 0.00 0.00 0.00 0.00 51.96 52.82 1hrr s ALA 8 Cb -0.39 -2.78 0.49 0.00 0.00 0.00 0.00 23.12 20.44 1hrr s ALA 8 CO 0.33 0.34 1.84 0.00 0.00 0.00 0.00 175.76 178.27 1hrr h ALA 9 N 3.10 1.42 -0.21 0.00 0.00 -1.94 -0.85 119.26 120.78 1hrr h ALA 9 Ca -0.48 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1hrr h ALA 9 Cb 1.19 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1hrr h ALA 9 CO 0.65 0.25 0.00 -0.40 0.00 0.00 0.00 179.25 179.76 1hrr n ASP 10 N -4.62 1.39 -4.68 0.00 5.75 -1.26 -4.28 116.55 108.86 1hrr n ASP 10 Ca 0.17 -1.85 -0.39 0.00 -0.01 0.00 0.00 54.79 52.72 1hrr n ASP 10 Cb 0.30 -0.14 0.04 0.00 -1.03 0.00 0.00 41.12 40.29 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 0.21 1.75 -0.18 -1.12 2.03 -0.33 -4.82 116.55 114.09 1hrr n ASP 11 Ca 0.12 0.91 -0.10 0.00 0.52 0.00 0.00 54.79 56.25 1hrr n ASP 11 Cb 0.25 -1.48 0.01 0.00 -0.72 0.00 0.00 41.12 39.18 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 1.04 0.69 -0.58 -1.67 0.00 -1.91 0.14 119.26 116.96 1hrr h ALA 12 Ca -0.49 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.13 1hrr h ALA 12 Cb 1.33 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1hrr h ALA 12 CO 0.54 0.47 0.28 1.15 0.00 0.00 0.00 179.25 181.70 1hrr h THR 13 N 0.75 1.21 -0.46 0.00 2.02 -1.95 -0.55 112.91 113.93 1hrr h THR 13 Ca 0.15 -0.58 -0.00 0.00 0.77 0.00 0.00 66.41 66.75 1hrr h THR 13 Cb 0.48 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1hrr h THR 13 CO 0.02 0.24 0.29 0.00 0.37 0.00 0.00 175.52 176.43 1hrr h ALA 14 N 1.12 0.59 0.06 6.16 0.00 -1.66 0.33 119.26 125.85 1hrr h ALA 14 Ca 0.20 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1hrr h ALA 14 Cb 0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1hrr h ALA 14 CO -0.03 0.07 -0.17 0.82 0.00 0.00 0.00 179.25 179.94 1hrr h ILE 15 N 0.62 0.60 -0.96 0.00 2.04 -0.47 0.77 117.51 120.10 1hrr h ILE 15 Ca 0.17 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.14 1hrr h ILE 15 Cb -0.03 0.60 -0.08 0.00 -0.74 0.00 0.00 36.82 36.57 1hrr h ILE 15 CO -0.03 0.00 0.59 0.00 0.00 0.00 0.00 178.15 178.71 1hrr h ALA 16 N 0.56 1.42 -0.00 1.87 0.00 -0.74 -1.46 119.26 120.92 1hrr h ALA 16 Ca 0.04 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1hrr h ALA 16 Cb 0.35 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1hrr h ALA 16 CO -0.13 0.21 -0.30 1.28 0.00 0.00 0.00 179.25 180.31 1hrr n LEU 17 N -4.64 0.46 -3.86 0.00 4.77 0.07 -4.93 117.00 108.86 1hrr n LEU 17 Ca 0.17 0.07 -0.28 0.00 -0.03 0.00 0.00 56.01 55.95 1hrr n LEU 17 Cb 0.32 -0.27 0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1hrr n LEU 17 CO 0.27 0.10 0.07 0.29 -1.33 0.00 0.00 177.39 176.79 1hrr n LYS 18 N -1.30 -5.40 -2.51 3.23 5.02 0.24 -0.40 118.16 117.03 1hrr n LYS 18 Ca 0.08 0.60 -0.41 0.00 -2.02 0.00 0.00 58.31 56.56 1hrr n LYS 18 Cb 0.33 -5.41 -0.04 0.00 -0.02 0.00 0.00 35.03 29.89 1hrr n LYS 18 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1hrr s TYR 19 N -3.40 3.59 -0.13 2.13 5.04 0.29 -4.22 117.35 120.65 1hrr s TYR 19 Ca 0.50 1.58 0.00 0.00 -2.44 0.00 0.00 57.07 56.72 1hrr s TYR 19 Cb -0.25 -3.28 0.02 0.00 0.35 0.00 0.00 41.96 38.80 1hrr s TYR 19 CO 0.83 -0.63 -0.12 -0.80 -1.34 0.00 0.00 175.55 173.49 1hrr s ASN 20 N 0.00 2.42 0.12 4.32 -0.87 0.22 -4.80 114.94 116.34 1hrr s ASN 20 Ca 0.50 -0.40 -0.14 0.00 -1.57 0.00 0.00 52.86 51.24 1hrr s ASN 20 Cb -0.29 -1.03 -0.05 0.00 -0.02 0.00 0.00 41.25 39.86 1hrr s ASN 20 CO 0.34 -0.06 1.50 -0.61 -2.57 0.00 0.00 177.10 175.70 1hrr h GLN 21 N 7.92 0.73 -3.40 -0.60 -0.00 -1.92 0.96 115.11 118.81 1hrr h GLN 21 Ca -0.34 -0.30 -0.55 0.00 -0.00 0.00 0.00 58.65 57.46 1hrr h GLN 21 Cb 1.14 -0.03 0.02 0.00 0.00 0.00 0.00 27.48 28.61 1hrr h GLN 21 CO 0.48 0.90 3.16 -0.40 0.00 0.00 0.00 178.83 182.97 1hrr n ASP 22 N -4.34 6.21 -0.37 -0.69 5.75 -1.26 -3.50 116.55 118.36 1hrr n ASP 22 Ca -0.02 -2.50 0.28 0.00 -0.01 0.00 0.00 54.79 52.54 1hrr n ASP 22 Cb 0.38 -1.34 0.55 0.00 -1.03 0.00 0.00 41.12 39.68 1hrr n ASP 22 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1hrr h ALA 23 N 5.88 2.35 -0.91 2.12 0.00 -1.74 0.70 119.26 127.65 1hrr h ALA 23 Ca 0.65 0.11 0.18 0.00 0.00 0.00 0.00 54.91 55.86 1hrr h ALA 23 Cb 0.30 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 1hrr h ALA 23 CO 1.67 -0.89 0.59 1.79 0.00 0.00 0.00 179.25 182.42 1hrr h THR 24 N 0.27 0.74 -0.01 0.00 1.35 -1.89 0.76 112.91 114.13 1hrr h THR 24 Ca 0.71 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 66.38 1hrr h THR 24 Cb 1.94 0.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 1hrr h THR 24 CO -0.42 0.10 -0.14 0.29 -0.25 0.00 0.00 175.52 175.11 1hrr n LYS 25 N -4.57 0.81 -1.30 4.72 5.02 0.24 -4.97 118.16 118.11 1hrr n LYS 25 Ca 0.19 -0.36 -0.29 0.00 -2.02 0.00 0.00 58.31 55.83 1hrr n LYS 25 Cb 0.60 -1.49 0.18 0.00 -0.02 0.00 0.00 35.03 34.30 1hrr n LYS 25 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1hrr s SER 26 N -2.43 2.42 0.00 4.39 0.15 0.26 -4.92 113.70 113.57 1hrr s SER 26 Ca 0.29 0.90 0.15 0.00 0.70 0.00 0.00 55.95 57.99 1hrr s SER 26 Cb 0.20 -1.39 0.77 0.00 -1.71 0.00 0.00 66.02 63.89 1hrr s SER 26 CO 0.47 -3.22 1.43 -0.62 1.20 0.00 0.00 173.24 172.50 1hrr n GLU 27 N -4.20 0.21 -0.24 5.44 1.02 -1.26 -4.08 120.64 117.53 1hrr n GLU 27 Ca 0.08 0.14 0.04 0.00 -0.02 0.00 0.00 57.16 57.41 1hrr n GLU 27 Cb 0.59 -1.50 0.17 0.00 -0.02 0.00 0.00 31.44 30.67 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 0.00 0.33 -0.56 3.49 0.11 -1.91 0.28 114.38 116.12 1hrr h ARG 28 Ca 0.00 -0.02 0.05 0.00 0.10 0.00 0.00 59.98 60.11 1hrr h ARG 28 Cb 0.15 -0.08 -0.05 0.00 1.11 0.00 0.00 29.97 31.10 1hrr h ARG 28 CO 0.00 0.22 0.30 0.28 0.10 0.00 0.00 179.97 180.87 1hrr h VAL 29 N 0.34 0.97 -0.04 0.08 2.07 -1.87 0.27 116.25 118.07 1hrr h VAL 29 Ca 0.39 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.70 1hrr h VAL 29 Cb 0.62 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1hrr h VAL 29 CO -0.44 0.10 -0.03 0.00 0.02 0.00 0.00 177.57 177.22 1hrr h ALA 30 N 1.29 0.06 -0.53 1.67 0.00 -0.91 -3.27 119.26 117.57 1hrr h ALA 30 Ca 0.25 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1hrr h ALA 30 Cb 0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1hrr h ALA 30 CO -0.16 -0.17 -0.11 0.00 0.00 0.00 0.00 179.25 178.81 1hrr h ALA 31 N 0.55 0.72 -6.76 0.00 0.00 -0.55 -3.48 119.26 109.75 1hrr h ALA 31 Ca 0.01 -0.35 -0.55 0.00 0.00 0.00 0.00 54.91 54.01 1hrr h ALA 31 Cb 0.52 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1hrr h ALA 31 CO 0.01 0.63 -0.97 0.00 0.00 0.00 0.00 179.25 178.92 1hrr n ALA 32 N -2.49 -2.36 -1.70 0.00 0.00 0.95 -4.87 120.51 110.03 1hrr n ALA 32 Ca 0.01 -0.43 -0.43 0.00 0.00 0.00 0.00 53.44 52.59 1hrr n ALA 32 Cb 0.40 -2.31 -0.01 0.00 0.00 0.00 0.00 19.45 17.53 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 -4.67 2.15 -2.03 0.00 1.74 -1.26 -4.92 116.66 107.66 1hrr n ARG 33 Ca -0.19 0.76 -0.38 0.00 -0.77 0.00 0.00 57.85 57.27 1hrr n ARG 33 Cb 0.62 -2.36 0.02 0.00 -1.02 0.00 0.00 32.46 29.71 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 -1.58 3.45 0.00 5.56 0.04 -1.26 -4.42 135.00 136.79 1hrr s PRO 34 Ca 0.58 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.60 1hrr s PRO 34 Cb -0.58 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 31.64 1hrr s PRO 34 CO 0.60 -0.87 0.00 0.41 0.04 0.00 0.00 177.00 177.18 1hrr n GLY 35 N 0.57 1.85 3.35 0.56 0.00 -1.26 -4.73 105.19 105.53 1hrr n GLY 35 Ca 0.09 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 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 0.78 0.54 0.99 2.96 -1.26 -5.05 118.68 117.64 1hrr s LEU 36 Ca 0.00 -0.68 -0.19 0.00 -0.22 0.00 0.00 54.13 53.04 1hrr s LEU 36 Cb 0.00 1.45 -0.06 0.00 0.50 0.00 0.00 46.19 48.08 1hrr s LEU 36 CO 0.00 -0.89 1.11 -2.16 -1.32 0.00 0.00 176.35 173.08 1hrr s PRO 37 N -3.91 3.41 0.22 0.98 0.04 -1.26 -4.80 135.00 129.67 1hrr s PRO 37 Ca 0.11 1.54 -0.08 0.00 0.04 0.00 0.00 61.00 62.61 1hrr s PRO 37 Cb 0.02 -2.02 0.29 0.00 0.04 0.00 0.00 34.50 32.84 1hrr s PRO 37 CO -0.04 -0.79 1.78 -1.00 0.04 0.00 0.00 177.00 176.99 1hrr h PRO 38 N 1.17 0.59 0.00 0.56 0.13 -1.90 -1.13 132.00 131.42 1hrr h PRO 38 Ca -0.50 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.58 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 0.39 -0.11 0.93 -0.23 0.00 0.00 178.00 179.55 1hrr h GLU 39 N 0.60 0.00 0.00 0.86 4.39 -1.92 0.16 114.58 118.68 1hrr h GLU 39 Ca 0.32 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.02 1hrr h GLU 39 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1hrr h GLU 39 CO -0.24 0.11 0.00 0.39 -1.16 0.00 0.00 179.01 178.11 1hrr n GLU 40 N -3.63 0.13 -2.50 2.33 1.02 -0.43 -4.81 120.64 112.75 1hrr n GLU 40 Ca -0.02 0.12 -0.43 0.00 -0.02 0.00 0.00 57.16 56.82 1hrr n GLU 40 Cb 0.23 -1.66 -0.02 0.00 -0.02 0.00 0.00 31.44 29.97 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 -3.06 4.27 0.22 3.49 -0.21 0.55 -4.85 119.66 120.07 1hrr s GLN 41 Ca 0.12 1.57 -0.23 0.00 0.02 0.00 0.00 55.36 56.84 1hrr s GLN 41 Cb 0.15 -3.69 0.04 0.00 1.00 0.00 0.00 33.01 30.51 1hrr s GLN 41 CO 0.55 -0.63 0.85 -3.38 -2.12 0.00 0.00 175.29 170.56 1hrr s HIS 42 N 3.17 -0.13 0.33 0.91 -3.43 -1.26 -4.77 115.29 110.11 1hrr s HIS 42 Ca 0.52 -0.27 0.09 0.00 -0.80 0.00 0.00 55.06 54.61 1hrr s HIS 42 Cb -0.20 0.68 0.86 0.00 -1.43 0.00 0.00 32.58 32.49 1hrr s HIS 42 CO 0.13 -1.05 1.76 0.00 -2.00 0.00 0.00 174.74 173.59 1hrr n ALA 44 N -2.35 0.45 -1.93 0.00 0.00 0.57 -0.53 120.51 116.72 1hrr n ALA 44 Ca 0.25 0.86 -0.12 0.00 0.00 0.00 0.00 53.44 54.42 1hrr n ALA 44 Cb 0.68 -0.65 0.08 0.00 0.00 0.00 0.00 19.45 19.56 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 -5.11 3.59 -4.58 0.00 6.94 0.10 -5.01 115.26 111.19 1hrr n ASN 45 Ca 0.20 -3.68 -0.34 0.00 -0.02 0.00 0.00 54.58 50.74 1hrr n ASN 45 Cb 0.66 -0.41 -0.11 0.00 -2.36 0.00 0.00 39.78 37.57 1hrr n ASN 45 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1hrr n GLN 47 N 3.42 -0.19 -0.11 0.00 -0.06 0.88 -1.36 117.38 119.95 1hrr n GLN 47 Ca -0.17 0.93 0.07 0.00 -2.00 0.00 0.00 57.00 55.83 1hrr n GLN 47 Cb 0.52 -1.37 0.23 0.00 -4.06 0.00 0.00 30.24 25.56 1hrr n GLN 47 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 1hrr n PHE 48 N -4.84 0.29 -2.09 3.69 3.72 -1.26 -4.88 117.46 112.09 1hrr n PHE 48 Ca 0.04 -0.15 -0.41 0.00 -0.05 0.00 0.00 57.45 56.88 1hrr n PHE 48 Cb 0.21 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.73 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 -1.71 4.32 -0.21 -1.08 1.75 -0.47 -0.86 119.30 121.05 1hrr s MET 49 Ca 0.23 2.21 0.02 0.00 -1.25 0.00 0.00 55.69 56.90 1hrr s MET 49 Cb 0.12 -3.14 0.03 0.00 2.84 0.00 0.00 34.83 34.69 1hrr s MET 49 CO 0.17 -0.34 -0.17 -0.65 -0.65 0.00 0.00 175.02 173.39 1hrr s GLN 50 N -0.42 2.73 -0.00 4.11 -0.21 0.51 -4.93 119.66 121.45 1hrr s GLN 50 Ca 0.57 -0.99 0.14 0.00 0.02 0.00 0.00 55.36 55.10 1hrr s GLN 50 Cb -0.40 -2.67 -0.20 0.00 1.00 0.00 0.00 33.01 30.75 1hrr s GLN 50 CO 0.42 -0.33 0.73 0.00 -2.12 0.00 0.00 175.29 173.99 1hrr h ALA 51 N 7.89 0.73 -0.06 6.09 0.00 -1.95 0.60 119.26 132.55 1hrr h ALA 51 Ca -0.37 -1.25 0.02 0.00 0.00 0.00 0.00 54.91 53.31 1hrr h ALA 51 Cb 1.11 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 1hrr h ALA 51 CO 0.58 1.35 0.17 0.38 0.00 0.00 0.00 179.25 181.73 1hrr h ASP 52 N 0.00 0.00 -1.84 0.00 2.03 -1.97 -3.44 116.42 111.20 1hrr h ASP 52 Ca -0.24 0.00 -0.51 0.00 -0.73 0.00 0.00 57.03 55.55 1hrr h ASP 52 Cb 1.86 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 40.36 1hrr h ASP 52 CO 0.07 0.00 1.54 0.00 -1.03 0.00 0.00 179.24 179.82 1hrr s ALA 53 N -4.30 2.09 -0.13 4.15 0.00 -1.25 -4.89 121.76 117.44 1hrr s ALA 53 Ca -0.04 0.20 -0.38 0.00 0.00 0.00 0.00 51.96 51.74 1hrr s ALA 53 Cb 0.12 -4.24 -0.15 0.00 0.00 0.00 0.00 23.12 18.85 1hrr s ALA 53 CO 0.42 -3.79 1.64 0.00 0.00 0.00 0.00 175.76 174.03 1hrr n ALA 54 N 13.98 -0.17 0.00 0.00 0.00 -1.26 -0.61 120.51 132.45 1hrr n ALA 54 Ca 0.32 0.41 0.00 0.00 0.00 0.00 0.00 53.44 54.17 1hrr n ALA 54 Cb 0.51 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.73 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 3.72 2.13 3.59 0.00 0.00 -1.26 -5.04 105.19 108.33 1hrr n GLY 55 Ca 0.23 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.42 -0.59 -2.39 4.61 0.00 0.22 -4.97 120.51 116.97 1hrr n ALA 56 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1hrr n ALA 56 Cb 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.37 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 2.03 0.00 0.00 0.00 -2.24 0.39 -4.97 114.28 109.49 1hrr n THR 57 Ca 0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1hrr n THR 57 Cb 0.23 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 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 0.05 3.42 5.68 -1.26 -4.36 116.55 120.08 1hrr n ASP 58 Ca 0.00 0.61 0.12 0.00 -0.50 0.00 0.00 54.79 55.02 1hrr n ASP 58 Cb 0.00 -0.29 0.15 0.00 -1.14 0.00 0.00 41.12 39.84 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 -1.36 0.28 -4.41 0.11 1.02 -1.26 -4.89 120.64 110.14 1hrr n GLU 59 Ca 0.00 0.07 -0.34 0.00 -0.02 0.00 0.00 57.16 56.87 1hrr n GLU 59 Cb 0.00 -1.67 -0.11 0.00 -0.02 0.00 0.00 31.44 29.64 1hrr n GLU 59 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1hrr s TRP 60 N -3.17 3.05 0.29 -0.32 0.52 -1.26 -0.63 118.94 117.43 1hrr s TRP 60 Ca 0.06 -0.14 0.03 0.00 0.02 0.00 0.00 56.10 56.07 1hrr s TRP 60 Cb 0.14 -1.90 -0.06 0.00 -1.15 0.00 0.00 33.47 30.50 1hrr s TRP 60 CO 0.73 0.12 0.05 0.15 0.02 0.00 0.00 176.95 178.02 1hrr s LYS 61 N -0.04 1.54 0.58 4.98 3.01 0.28 -0.46 119.74 129.63 1hrr s LYS 61 Ca 0.02 -1.83 -0.08 0.00 -1.01 0.00 0.00 55.97 53.06 1hrr s LYS 61 Cb -0.13 -0.71 -0.03 0.00 -1.01 0.00 0.00 37.83 35.95 1hrr s LYS 61 CO 0.02 -0.18 0.94 0.20 0.51 0.00 0.00 175.35 176.84 1hrr s GLY 62 N -3.41 1.59 -0.04 -3.33 0.00 0.20 -0.32 107.32 102.02 1hrr s GLY 62 Ca 0.35 -0.32 0.03 0.00 0.00 0.00 0.00 44.72 44.78 1hrr s GLY 62 CO 0.14 -0.08 -0.12 0.00 0.00 0.00 0.00 173.10 173.04 1hrr h GLN 64 N 6.48 0.77 -0.00 0.00 -0.00 -1.36 0.22 115.11 121.22 1hrr h GLN 64 Ca -0.33 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.28 1hrr h GLN 64 Cb 1.17 -0.17 0.00 0.00 0.00 0.00 0.00 27.48 28.48 1hrr h GLN 64 CO 0.48 0.51 0.00 1.28 0.00 0.00 0.00 178.83 181.10 1hrr n LEU 65 N -4.54 0.05 -3.19 -2.39 4.32 -1.26 -4.45 117.00 105.53 1hrr n LEU 65 Ca 0.16 -0.02 -0.23 0.00 -0.02 0.00 0.00 56.01 55.90 1hrr n LEU 65 Cb 0.37 -0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.11 1hrr n LEU 65 CO 0.31 0.01 -0.15 0.33 -1.22 0.00 0.00 177.39 176.66 1hrr n PHE 66 N -0.94 1.09 -2.45 -1.77 -0.00 0.79 -5.11 117.46 109.06 1hrr n PHE 66 Ca 0.23 -3.80 -0.36 0.00 -0.00 0.00 0.00 57.45 53.52 1hrr n PHE 66 Cb 0.11 -0.43 -0.03 0.00 -0.00 0.00 0.00 39.48 39.14 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 -2.10 3.87 0.00 -7.13 0.04 -1.25 -3.83 135.00 124.59 1hrr s PRO 67 Ca 0.39 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1hrr s PRO 67 Cb 0.24 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1hrr s PRO 67 CO -0.09 -0.40 0.00 0.41 0.04 0.00 0.00 177.00 176.96 1hrr n GLY 68 N 0.14 1.27 3.82 0.56 0.00 -1.26 -4.91 105.19 104.81 1hrr n GLY 68 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 1.78 -0.04 1.61 1.02 -1.25 -4.90 119.74 117.96 1hrr s LYS 69 Ca 0.00 0.43 0.04 0.00 0.02 0.00 0.00 55.97 56.46 1hrr s LYS 69 Cb 0.00 -1.90 -0.00 0.00 -0.52 0.00 0.00 37.83 35.41 1hrr s LYS 69 CO 0.00 -1.79 -0.16 -0.51 -0.92 0.00 0.00 175.35 171.97 1hrr s LEU 70 N -5.81 1.90 0.34 3.17 1.43 0.15 -4.62 118.68 115.23 1hrr s LEU 70 Ca 0.62 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.39 1hrr s LEU 70 Cb -0.14 -0.91 -0.03 0.00 0.03 0.00 0.00 46.19 45.13 1hrr s LEU 70 CO 0.53 0.14 0.54 0.27 0.23 0.00 0.00 176.35 178.06 1hrr s ILE 71 N 0.06 5.11 0.05 -0.59 -0.00 0.57 -0.60 121.20 125.80 1hrr s ILE 71 Ca -0.04 -0.47 -0.20 0.00 -0.00 0.00 0.00 60.65 59.94 1hrr s ILE 71 Cb -0.11 -3.86 -0.06 0.00 -0.00 0.00 0.00 42.46 38.43 1hrr s ILE 71 CO 0.02 -0.54 0.59 0.21 -0.00 0.00 0.00 174.94 175.22 1hrr s ASN 72 N -4.00 7.05 0.36 4.36 3.84 -1.26 -0.55 114.94 124.74 1hrr s ASN 72 Ca 0.40 1.25 0.15 0.00 0.21 0.00 0.00 52.86 54.86 1hrr s ASN 72 Cb -0.10 -2.37 1.02 0.00 -0.55 0.00 0.00 41.25 39.26 1hrr s ASN 72 CO 0.35 0.21 1.73 -0.37 -2.79 0.00 0.00 177.10 176.23 1hrr h VAL 73 N 3.73 0.47 0.00 -5.21 -1.51 -1.23 0.10 116.25 112.61 1hrr h VAL 73 Ca -0.48 -0.16 -0.02 0.00 -1.23 0.00 0.00 66.70 64.81 1hrr h VAL 73 Cb 1.21 -0.02 -0.00 0.00 -2.13 0.00 0.00 31.29 30.35 1hrr h VAL 73 CO 0.66 0.08 -0.11 0.78 -1.23 0.00 0.00 177.57 177.75 1hrr h ASN 74 N 0.45 0.00 -3.80 4.19 2.35 -1.87 0.17 115.58 117.07 1hrr h ASN 74 Ca 0.65 0.00 -0.43 0.00 -0.55 0.00 0.00 56.30 55.97 1hrr h ASN 74 Cb 1.47 0.00 0.17 0.00 0.05 0.00 0.00 38.32 40.01 1hrr h ASN 74 CO -0.43 0.11 0.24 -0.83 -1.65 0.00 0.00 177.43 174.88 1hrr s GLY 75 N -4.22 1.63 0.00 2.83 0.00 0.36 -4.30 107.32 103.62 1hrr s GLY 75 Ca -0.01 -0.89 -0.08 0.00 0.00 0.00 0.00 44.72 43.74 1hrr s GLY 75 CO 0.58 -0.12 0.16 0.86 0.00 0.00 0.00 173.10 174.58 1hrr s TRP 76 N -3.28 0.02 0.19 1.90 -0.00 0.33 -0.10 118.94 118.01 1hrr s TRP 76 Ca 0.70 -0.10 0.01 0.00 -0.00 0.00 0.00 56.10 56.71 1hrr s TRP 76 Cb -0.10 -0.03 -0.05 0.00 -0.00 0.00 0.00 33.47 33.30 1hrr s TRP 76 CO 0.55 -0.31 0.05 0.00 -0.00 0.00 0.00 176.95 177.23 1hrr h ALA 78 N 2.63 1.74 -0.01 0.00 0.00 -0.90 0.34 119.26 123.06 1hrr h ALA 78 Ca -0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1hrr h ALA 78 Cb 1.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1hrr h ALA 78 CO 0.61 -0.20 0.00 0.43 0.00 0.00 0.00 179.25 180.09 1hrr n SER 79 N -3.86 0.17 -4.59 0.00 7.64 -1.26 -4.94 113.62 106.77 1hrr n SER 79 Ca 0.00 -1.35 -0.52 0.00 1.01 0.00 0.00 58.87 58.01 1hrr n SER 79 Cb 0.24 -0.01 -0.06 0.00 -1.01 0.00 0.00 64.21 63.38 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 -0.73 1.51 -3.67 1.43 -0.00 0.11 -4.96 117.44 111.13 1hrr n TRP 80 Ca 0.16 0.64 -0.14 0.00 -0.00 0.00 0.00 57.50 58.17 1hrr n TRP 80 Cb 0.10 -2.33 -0.14 0.00 -0.00 0.00 0.00 31.31 28.94 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 0.57 -0.33 -0.23 5.87 2.01 -1.26 -5.00 115.64 117.28 1hrr s THR 81 Ca 0.85 0.29 -0.35 0.00 0.31 0.00 0.00 61.69 62.78 1hrr s THR 81 Cb -0.97 -0.39 -0.12 0.00 0.01 0.00 0.00 72.50 71.03 1hrr s THR 81 CO 0.48 0.12 1.98 -0.11 -0.69 0.00 0.00 174.62 176.40 1hrr n LEU 82 N 5.21 2.77 -4.61 4.42 0.00 -1.26 -0.09 117.00 123.44 1hrr n LEU 82 Ca -0.08 0.76 -0.44 0.00 0.00 0.00 0.00 56.01 56.25 1hrr n LEU 82 Cb 0.50 -1.30 -0.04 0.00 0.00 0.00 0.00 43.42 42.59 1hrr n LEU 82 CO 0.05 -0.40 1.75 1.17 0.00 0.00 0.00 177.39 179.96 1hrr n LYS 83 N 7.05 2.15 -2.57 1.96 4.81 -0.10 -4.51 118.16 126.94 1hrr n LYS 83 Ca 0.30 0.68 -0.15 0.00 -0.87 0.00 0.00 58.31 58.27 1hrr n LYS 83 Cb 0.25 -3.05 0.02 0.00 0.02 0.00 0.00 35.03 32.26 1hrr n LYS 83 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1hrr n ALA 84 N 9.97 4.00 0.00 3.14 0.00 -1.26 -4.91 120.51 131.45 1hrr n ALA 84 Ca 0.28 -3.53 0.00 0.00 0.00 0.00 0.00 53.44 50.18 1hrr n ALA 84 Cb 0.40 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.11 1hrr n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91