#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 -2.26 0.80 7.33 0.00 -1.26 -4.93 121.76 121.44 1hrr s ALA 2 Ca 0.00 1.64 -0.11 0.00 0.00 0.00 0.00 51.96 53.49 1hrr s ALA 2 Cb 0.00 -2.24 0.07 0.00 0.00 0.00 0.00 23.12 20.95 1hrr s ALA 2 CO 0.00 -1.44 1.09 -1.25 0.00 0.00 0.00 175.76 174.15 1hrr s PRO 3 N 2.84 2.07 0.15 0.00 0.04 -1.26 -4.95 135.00 133.89 1hrr s PRO 3 Ca 0.18 0.97 -0.17 0.00 0.04 0.00 0.00 61.00 62.03 1hrr s PRO 3 Cb -0.14 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.52 1hrr s PRO 3 CO -0.22 -1.72 1.79 0.00 0.04 0.00 0.00 177.00 176.89 1hrr h ALA 4 N -1.17 0.43 -0.33 8.56 0.00 -2.01 -2.34 119.26 122.40 1hrr h ALA 4 Ca -0.46 -0.01 -0.46 0.00 0.00 0.00 0.00 54.91 53.99 1hrr h ALA 4 Cb 1.25 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.83 1hrr h ALA 4 CO 0.54 -0.15 0.84 0.27 0.00 0.00 0.00 179.25 180.75 1hrr n ASN 5 N -4.90 6.59 -4.77 0.00 6.94 -1.26 -4.90 115.26 112.96 1hrr n ASN 5 Ca -0.00 -2.90 -0.40 0.00 -0.02 0.00 0.00 54.58 51.26 1hrr n ASN 5 Cb 0.06 -1.35 -0.06 0.00 -2.36 0.00 0.00 39.78 36.07 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 -0.36 3.43 -0.27 -2.53 0.00 -0.88 0.24 121.76 121.39 1hrr s ALA 6 Ca 0.62 0.32 -0.29 0.00 0.00 0.00 0.00 51.96 52.61 1hrr s ALA 6 Cb 0.31 -2.95 -0.02 0.00 0.00 0.00 0.00 23.12 20.46 1hrr s ALA 6 CO -0.12 0.23 1.55 0.08 0.00 0.00 0.00 175.76 177.50 1hrr s VAL 7 N -0.82 3.78 0.37 0.00 1.01 0.57 -4.77 120.40 120.55 1hrr s VAL 7 Ca 0.36 0.87 -0.24 0.00 0.00 0.00 0.00 61.98 62.97 1hrr s VAL 7 Cb -0.22 -3.84 -0.10 0.00 0.00 0.00 0.00 36.38 32.22 1hrr s VAL 7 CO 0.25 -0.39 0.98 0.00 0.00 0.00 0.00 175.10 175.94 1hrr s ALA 8 N 5.22 3.14 0.28 5.51 0.00 -1.26 -4.76 121.76 129.89 1hrr s ALA 8 Ca 0.68 0.56 0.03 0.00 0.00 0.00 0.00 51.96 53.23 1hrr s ALA 8 Cb -0.22 -3.21 0.68 0.00 0.00 0.00 0.00 23.12 20.38 1hrr s ALA 8 CO 0.29 0.04 1.71 0.00 0.00 0.00 0.00 175.76 177.80 1hrr h ALA 9 N 2.72 1.40 -0.46 0.00 0.00 -1.95 -0.45 119.26 120.53 1hrr h ALA 9 Ca -0.48 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1hrr h ALA 9 Cb 1.20 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1hrr h ALA 9 CO 0.63 -0.28 0.00 -0.40 0.00 0.00 0.00 179.25 179.21 1hrr n ASP 10 N -5.00 3.06 -4.68 0.00 5.75 -1.26 -4.40 116.55 110.02 1hrr n ASP 10 Ca 0.21 -2.18 -0.38 0.00 -0.01 0.00 0.00 54.79 52.43 1hrr n ASP 10 Cb 0.60 -0.41 0.05 0.00 -1.03 0.00 0.00 41.12 40.32 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 0.79 1.80 -0.23 -1.12 -0.08 -0.18 -4.82 116.55 112.72 1hrr n ASP 11 Ca 0.17 0.91 -0.08 0.00 -1.51 0.00 0.00 54.79 54.28 1hrr n ASP 11 Cb 0.55 -1.49 0.05 0.00 2.34 0.00 0.00 41.12 42.57 1hrr n ASP 11 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1hrr h ALA 12 N 1.01 0.91 -0.19 -1.67 0.00 -1.92 0.11 119.26 117.50 1hrr h ALA 12 Ca -0.49 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.16 1hrr h ALA 12 Cb 1.33 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1hrr h ALA 12 CO 0.54 0.67 0.05 1.15 0.00 0.00 0.00 179.25 181.66 1hrr h THR 13 N 1.01 0.94 -0.57 0.00 2.02 -1.95 -0.14 112.91 114.22 1hrr h THR 13 Ca 0.19 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.33 1hrr h THR 13 Cb 0.47 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 1hrr h THR 13 CO 0.02 0.03 0.37 0.00 0.37 0.00 0.00 175.52 176.30 1hrr h ALA 14 N 1.13 0.72 0.29 6.16 0.00 -1.61 -0.01 119.26 125.94 1hrr h ALA 14 Ca 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1hrr h ALA 14 Cb 0.07 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1hrr h ALA 14 CO -0.10 0.17 -0.17 0.82 0.00 0.00 0.00 179.25 179.97 1hrr h ILE 15 N 0.77 0.64 -0.90 0.00 2.04 -0.58 0.60 117.51 120.08 1hrr h ILE 15 Ca 0.21 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.21 1hrr h ILE 15 Cb -0.07 0.64 -0.09 0.00 -0.74 0.00 0.00 36.82 36.56 1hrr h ILE 15 CO -0.04 0.00 0.50 0.00 0.00 0.00 0.00 178.15 178.61 1hrr h ALA 16 N 0.26 1.37 -0.00 1.87 0.00 -0.64 -0.84 119.26 121.28 1hrr h ALA 16 Ca -0.03 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1hrr h ALA 16 Cb 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1hrr h ALA 16 CO 0.03 -0.01 -0.25 1.28 0.00 0.00 0.00 179.25 180.30 1hrr n LEU 17 N -4.80 0.48 -4.14 0.00 4.77 -0.05 -4.94 117.00 108.32 1hrr n LEU 17 Ca 0.18 0.05 -0.32 0.00 -0.03 0.00 0.00 56.01 55.89 1hrr n LEU 17 Cb 0.43 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 1hrr n LEU 17 CO 0.23 0.10 -0.13 0.29 -1.33 0.00 0.00 177.39 176.55 1hrr n LYS 18 N -1.20 -3.03 -2.31 3.23 4.76 0.19 -0.13 118.16 119.67 1hrr n LYS 18 Ca 0.09 0.36 -0.37 0.00 -2.87 0.00 0.00 58.31 55.52 1hrr n LYS 18 Cb 0.32 -4.79 -0.02 0.00 -1.84 0.00 0.00 35.03 28.70 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 -3.59 2.97 -0.04 2.13 5.04 0.04 -4.18 117.35 119.71 1hrr s TYR 19 Ca 0.44 1.56 0.02 0.00 -2.44 0.00 0.00 57.07 56.64 1hrr s TYR 19 Cb -0.24 -3.33 0.02 0.00 0.35 0.00 0.00 41.96 38.75 1hrr s TYR 19 CO 0.92 -1.33 -0.07 1.21 -1.34 0.00 0.00 175.55 174.95 1hrr s ASN 20 N -1.38 1.09 0.27 4.32 2.47 -1.26 -4.64 114.94 115.81 1hrr s ASN 20 Ca 0.62 -0.16 -0.05 0.00 0.42 0.00 0.00 52.86 53.69 1hrr s ASN 20 Cb -0.28 -0.47 0.52 0.00 -1.45 0.00 0.00 41.25 39.58 1hrr s ASN 20 CO 0.34 -0.01 1.48 0.00 -3.72 0.00 0.00 177.10 175.18 1hrr n GLN 21 N 3.81 -0.08 -3.33 0.43 6.02 -1.26 -2.91 117.38 120.06 1hrr n GLN 21 Ca -0.23 1.46 -0.47 0.00 -0.01 0.00 0.00 57.00 57.75 1hrr n GLN 21 Cb 0.52 -2.22 -0.03 0.00 1.02 0.00 0.00 30.24 29.53 1hrr n GLN 21 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1hrr s ASP 22 N -5.17 6.60 0.11 1.08 -4.77 -1.26 -0.52 116.67 112.73 1hrr s ASP 22 Ca -0.14 -2.46 0.01 0.00 -3.30 0.00 0.00 52.55 46.66 1hrr s ASP 22 Cb 0.26 -2.21 0.29 0.00 -1.09 0.00 0.00 42.92 40.17 1hrr s ASP 22 CO 0.74 -0.64 0.57 0.00 0.70 0.00 0.00 175.17 176.53 1hrr n ALA 23 N 4.30 0.19 -0.32 2.11 0.00 -0.83 -0.51 120.51 125.46 1hrr n ALA 23 Ca 0.07 0.39 0.18 0.00 0.00 0.00 0.00 53.44 54.07 1hrr n ALA 23 Cb 0.45 -0.29 0.36 0.00 0.00 0.00 0.00 19.45 19.97 1hrr n ALA 23 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1hrr h THR 24 N 0.00 0.21 -0.46 0.00 1.35 -1.91 0.53 112.91 112.63 1hrr h THR 24 Ca 0.22 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 66.03 1hrr h THR 24 Cb 0.47 0.04 0.00 0.00 -1.73 0.00 0.00 68.15 66.93 1hrr h THR 24 CO -0.34 0.03 0.00 0.29 -0.25 0.00 0.00 175.52 175.25 1hrr n LYS 25 N -5.25 3.53 -1.13 4.72 5.02 0.33 -4.94 118.16 120.44 1hrr n LYS 25 Ca 0.26 -2.78 -0.29 0.00 -2.02 0.00 0.00 58.31 53.48 1hrr n LYS 25 Cb 0.83 -1.83 0.18 0.00 -0.02 0.00 0.00 35.03 34.19 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 -1.24 2.49 -0.05 4.39 0.15 0.18 -4.93 113.70 114.68 1hrr s SER 26 Ca 0.44 1.20 0.03 0.00 0.70 0.00 0.00 55.95 58.33 1hrr s SER 26 Cb 0.31 -1.88 0.18 0.00 -1.71 0.00 0.00 66.02 62.93 1hrr s SER 26 CO 0.17 -3.22 0.79 -1.84 1.20 0.00 0.00 173.24 170.34 1hrr n GLU 27 N -4.23 1.86 -0.23 5.44 0.00 -1.26 -4.51 120.64 117.70 1hrr n GLU 27 Ca 0.05 -0.70 -0.02 0.00 0.00 0.00 0.00 57.16 56.49 1hrr n GLU 27 Cb 0.57 -1.66 0.09 0.00 0.00 0.00 0.00 31.44 30.45 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 0.89 0.67 -0.93 3.44 0.11 -1.92 0.81 114.38 117.45 1hrr h ARG 28 Ca 0.00 -0.04 0.05 0.00 0.10 0.00 0.00 59.98 60.09 1hrr h ARG 28 Cb 0.81 -0.15 -0.06 0.00 1.11 0.00 0.00 29.97 31.68 1hrr h ARG 28 CO 0.11 0.44 0.60 0.28 0.10 0.00 0.00 179.97 181.49 1hrr h VAL 29 N 0.69 1.10 -0.11 0.08 2.07 -1.88 0.25 116.25 118.45 1hrr h VAL 29 Ca 0.29 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 1hrr h VAL 29 Cb 0.17 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 29.83 1hrr h VAL 29 CO -0.17 0.20 -0.02 0.00 0.02 0.00 0.00 177.57 177.60 1hrr h ALA 30 N 1.41 0.15 -0.54 1.67 0.00 -1.29 -3.18 119.26 117.48 1hrr h ALA 30 Ca 0.39 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1hrr h ALA 30 Cb 0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1hrr h ALA 30 CO -0.15 -0.12 0.18 0.00 0.00 0.00 0.00 179.25 179.15 1hrr h ALA 31 N 0.70 0.71 -6.72 0.00 0.00 -0.72 -3.47 119.26 109.75 1hrr h ALA 31 Ca 0.03 -0.19 -0.55 0.00 0.00 0.00 0.00 54.91 54.20 1hrr h ALA 31 Cb 0.42 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1hrr h ALA 31 CO 0.01 0.36 -0.99 0.00 0.00 0.00 0.00 179.25 178.63 1hrr n ALA 32 N -2.37 -2.58 -1.65 0.00 0.00 0.86 -4.90 120.51 109.87 1hrr n ALA 32 Ca 0.02 -0.48 -0.38 0.00 0.00 0.00 0.00 53.44 52.60 1hrr n ALA 32 Cb 0.19 -3.04 0.04 0.00 0.00 0.00 0.00 19.45 16.64 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 -4.78 1.16 -1.04 0.00 1.74 -1.26 -4.99 116.66 107.49 1hrr n ARG 33 Ca -0.11 0.44 -0.30 0.00 -0.77 0.00 0.00 57.85 57.11 1hrr n ARG 33 Cb 0.58 -2.25 0.15 0.00 -1.02 0.00 0.00 32.46 29.91 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 -2.68 1.08 0.00 5.56 0.04 -1.26 -4.46 135.00 133.27 1hrr s PRO 34 Ca 0.73 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1hrr s PRO 34 Cb -0.44 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1hrr s PRO 34 CO 0.49 -2.42 0.00 0.41 0.04 0.00 0.00 177.00 175.52 1hrr n GLY 35 N -0.65 2.39 3.55 0.56 0.00 -1.26 -4.86 105.19 104.92 1hrr n GLY 35 Ca 0.08 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 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 0.02 0.54 0.99 2.96 -1.26 -5.07 118.68 116.86 1hrr s LEU 36 Ca 0.00 -0.49 -0.18 0.00 -0.22 0.00 0.00 54.13 53.24 1hrr s LEU 36 Cb 0.00 2.20 -0.06 0.00 0.50 0.00 0.00 46.19 48.83 1hrr s LEU 36 CO 0.00 -1.08 1.08 -2.16 -1.32 0.00 0.00 176.35 172.87 1hrr s PRO 37 N -3.88 3.46 0.26 0.98 0.04 -1.26 -4.80 135.00 129.80 1hrr s PRO 37 Ca 0.10 1.40 -0.02 0.00 0.04 0.00 0.00 61.00 62.52 1hrr s PRO 37 Cb -0.01 -2.04 0.49 0.00 0.04 0.00 0.00 34.50 32.98 1hrr s PRO 37 CO -0.02 -0.72 1.79 -1.00 0.04 0.00 0.00 177.00 177.09 1hrr h PRO 38 N 1.04 0.73 0.00 0.56 0.13 -1.87 -0.21 132.00 132.39 1hrr h PRO 38 Ca -0.49 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.58 1hrr h PRO 38 Cb 1.23 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 1hrr h PRO 38 CO 0.58 0.49 -0.09 0.93 -0.23 0.00 0.00 178.00 179.67 1hrr h GLU 39 N 0.76 0.00 -0.00 0.86 4.39 -1.93 0.17 114.58 118.82 1hrr h GLU 39 Ca 0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.15 1hrr h GLU 39 Cb 0.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1hrr h GLU 39 CO -0.30 0.09 -0.15 0.39 -1.16 0.00 0.00 179.01 177.88 1hrr n GLU 40 N -3.79 0.53 -2.68 2.33 1.02 -0.10 -4.81 120.64 113.15 1hrr n GLU 40 Ca -0.02 -0.19 -0.43 0.00 -0.02 0.00 0.00 57.16 56.49 1hrr n GLU 40 Cb 0.19 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.09 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 -2.60 4.14 0.21 3.49 -0.21 0.59 -4.86 119.66 120.42 1hrr s GLN 41 Ca 0.25 1.15 -0.23 0.00 0.02 0.00 0.00 55.36 56.55 1hrr s GLN 41 Cb 0.20 -3.69 0.05 0.00 1.00 0.00 0.00 33.01 30.56 1hrr s GLN 41 CO 0.51 -0.76 0.75 -3.38 -2.12 0.00 0.00 175.29 170.29 1hrr s HIS 42 N 3.38 -0.27 0.36 0.91 -3.43 -1.26 -4.77 115.29 110.22 1hrr s HIS 42 Ca 0.43 -0.08 0.10 0.00 -0.80 0.00 0.00 55.06 54.72 1hrr s HIS 42 Cb -0.14 0.65 0.85 0.00 -1.43 0.00 0.00 32.58 32.51 1hrr s HIS 42 CO 0.11 -1.02 1.87 0.00 -2.00 0.00 0.00 174.74 173.70 1hrr n ALA 44 N -2.44 0.48 -2.17 0.00 0.00 0.88 -0.69 120.51 116.55 1hrr n ALA 44 Ca 0.17 0.98 -0.27 0.00 0.00 0.00 0.00 53.44 54.32 1hrr n ALA 44 Cb 0.48 -0.72 0.02 0.00 0.00 0.00 0.00 19.45 19.22 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 -5.33 5.14 -4.73 0.00 6.94 -0.78 -5.00 115.26 111.49 1hrr n ASN 45 Ca 0.22 -3.74 -0.35 0.00 -0.02 0.00 0.00 54.58 50.68 1hrr n ASN 45 Cb 0.71 -0.47 -0.09 0.00 -2.36 0.00 0.00 39.78 37.58 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 -1.03 4.20 0.00 0.00 0.74 0.80 -2.25 119.66 122.13 1hrr s GLN 47 Ca 0.15 2.42 0.00 0.00 0.05 0.00 0.00 55.36 57.98 1hrr s GLN 47 Cb -0.12 -3.09 0.00 0.00 1.10 0.00 0.00 33.01 30.91 1hrr s GLN 47 CO 0.04 -0.55 0.00 1.19 -0.55 0.00 0.00 175.29 175.42 1hrr n PHE 48 N 2.72 0.00 -2.13 1.67 3.72 -1.26 -4.90 117.46 117.27 1hrr n PHE 48 Ca 0.09 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.07 1hrr n PHE 48 Cb 0.39 -0.45 -0.03 0.00 -0.94 0.00 0.00 39.48 38.45 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 -0.33 4.29 -0.23 -1.08 1.75 -0.95 -3.25 119.30 119.49 1hrr s MET 49 Ca 0.00 2.11 -0.05 0.00 -1.25 0.00 0.00 55.69 56.49 1hrr s MET 49 Cb 0.00 -3.34 -0.02 0.00 2.84 0.00 0.00 34.83 34.31 1hrr s MET 49 CO 0.00 -0.51 0.01 -0.65 -0.65 0.00 0.00 175.02 173.22 1hrr s GLN 50 N 1.51 3.52 0.08 4.11 -0.21 0.57 -4.98 119.66 124.25 1hrr s GLN 50 Ca 0.66 -0.55 -0.10 0.00 0.02 0.00 0.00 55.36 55.38 1hrr s GLN 50 Cb -0.37 -3.16 -0.24 0.00 1.00 0.00 0.00 33.01 30.24 1hrr s GLN 50 CO 0.30 -0.18 1.16 0.00 -2.12 0.00 0.00 175.29 174.44 1hrr h ALA 51 N 8.13 0.09 -0.83 6.09 0.00 -1.95 -0.77 119.26 130.02 1hrr h ALA 51 Ca -0.40 -0.78 0.14 0.00 0.00 0.00 0.00 54.91 53.87 1hrr h ALA 51 Cb 1.17 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.93 1hrr h ALA 51 CO 0.59 0.77 0.43 0.22 0.00 0.00 0.00 179.25 181.26 1hrr h ASP 52 N 0.23 0.54 0.00 0.00 1.82 -1.95 -3.44 116.42 113.62 1hrr h ASP 52 Ca -0.16 0.08 -0.31 0.00 -0.39 0.00 0.00 57.03 56.26 1hrr h ASP 52 Cb 1.86 -0.00 -0.07 0.00 0.68 0.00 0.00 39.33 41.79 1hrr h ASP 52 CO 0.22 0.24 1.27 0.00 -1.61 0.00 0.00 179.24 179.36 1hrr n ALA 53 N -2.42 0.40 -1.61 -0.78 0.00 -1.25 -4.55 120.51 110.29 1hrr n ALA 53 Ca 0.16 -0.32 -0.64 0.00 0.00 0.00 0.00 53.44 52.64 1hrr n ALA 53 Cb 0.40 -1.58 -0.10 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 5.99 -0.71 0.00 0.00 0.00 -1.26 -0.29 120.51 124.23 1hrr n ALA 54 Ca 0.46 0.39 0.00 0.00 0.00 0.00 0.00 53.44 54.28 1hrr n ALA 54 Cb 0.05 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.47 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 4.96 0.85 3.55 0.00 0.00 -1.26 -5.10 105.19 108.18 1hrr n GLY 55 Ca 0.36 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.02 -1.48 -2.54 4.61 0.00 0.60 -4.99 120.51 116.69 1hrr n ALA 56 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1hrr n ALA 56 Cb 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 17.51 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 1.43 0.00 0.00 0.00 -2.24 -0.02 -4.97 114.28 108.48 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 0.21 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 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 0.09 3.42 5.68 -1.26 -4.43 116.55 120.05 1hrr n ASP 58 Ca 0.00 0.53 0.12 0.00 -0.50 0.00 0.00 54.79 54.94 1hrr n ASP 58 Cb 0.00 -0.29 0.12 0.00 -1.14 0.00 0.00 41.12 39.81 1hrr n ASP 58 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1hrr h GLU 59 N 0.00 0.00 -5.49 0.11 5.08 -1.96 -3.47 114.58 108.85 1hrr h GLU 59 Ca 0.00 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.72 1hrr h GLU 59 Cb 0.00 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.09 1hrr h GLU 59 CO 0.00 0.00 -0.59 -1.58 -1.00 0.00 0.00 179.01 175.84 1hrr s TRP 60 N -3.23 3.21 0.25 4.33 0.52 -1.26 -0.85 118.94 121.90 1hrr s TRP 60 Ca 0.04 0.06 0.01 0.00 0.02 0.00 0.00 56.10 56.23 1hrr s TRP 60 Cb 0.11 -1.97 -0.04 0.00 -1.15 0.00 0.00 33.47 30.42 1hrr s TRP 60 CO 0.74 0.24 0.13 0.15 0.02 0.00 0.00 176.95 178.23 1hrr s LYS 61 N -0.07 1.37 -0.13 4.98 3.01 0.23 -0.84 119.74 128.28 1hrr s LYS 61 Ca 0.05 -1.74 -0.14 0.00 -1.01 0.00 0.00 55.97 53.12 1hrr s LYS 61 Cb -0.12 -0.00 -0.05 0.00 -1.01 0.00 0.00 37.83 36.65 1hrr s LYS 61 CO 0.02 -0.37 0.33 0.20 0.51 0.00 0.00 175.35 176.03 1hrr s GLY 62 N -3.26 2.27 -0.25 -3.33 0.00 -0.30 -0.15 107.32 102.30 1hrr s GLY 62 Ca 0.38 -0.39 -0.10 0.00 0.00 0.00 0.00 44.72 44.61 1hrr s GLY 62 CO 0.14 0.42 0.14 0.00 0.00 0.00 0.00 173.10 173.80 1hrr h GLN 64 N 7.78 0.60 0.00 0.00 4.15 -1.90 0.83 115.11 126.58 1hrr h GLN 64 Ca -0.37 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.01 1hrr h GLN 64 Cb 1.18 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.73 1hrr h GLN 64 CO 0.62 0.40 0.00 1.28 -1.93 0.00 0.00 178.83 179.19 1hrr n LEU 65 N -4.88 0.00 -3.18 -2.39 4.77 -1.26 -4.26 117.00 105.80 1hrr n LEU 65 Ca 0.21 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.95 1hrr n LEU 65 Cb 0.54 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.58 1hrr n LEU 65 CO 0.19 0.00 -0.12 0.33 -1.33 0.00 0.00 177.39 176.46 1hrr n PHE 66 N -0.71 1.39 -2.14 -1.77 -0.00 0.29 -5.11 117.46 109.41 1hrr n PHE 66 Ca 0.10 -3.84 -0.36 0.00 -0.00 0.00 0.00 57.45 53.35 1hrr n PHE 66 Cb 0.04 -0.44 0.01 0.00 -0.00 0.00 0.00 39.48 39.10 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 -2.26 3.32 0.00 -7.13 0.04 -1.26 -3.23 135.00 124.48 1hrr s PRO 67 Ca 0.40 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.22 1hrr s PRO 67 Cb 0.24 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1hrr s PRO 67 CO -0.09 -0.91 0.00 0.41 0.04 0.00 0.00 177.00 176.45 1hrr n GLY 68 N 0.40 1.15 3.91 0.56 0.00 -1.26 -4.93 105.19 105.03 1hrr n GLY 68 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 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 2.58 -0.07 1.61 1.02 -1.20 -4.87 119.74 118.81 1hrr s LYS 69 Ca 0.00 0.02 0.04 0.00 0.02 0.00 0.00 55.97 56.05 1hrr s LYS 69 Cb 0.00 -2.16 -0.00 0.00 -0.52 0.00 0.00 37.83 35.15 1hrr s LYS 69 CO 0.00 -1.03 -0.21 -0.51 -0.92 0.00 0.00 175.35 172.68 1hrr s LEU 70 N -5.20 1.98 0.65 3.17 1.43 0.14 -4.61 118.68 116.22 1hrr s LEU 70 Ca 0.57 -0.46 -0.10 0.00 -1.03 0.00 0.00 54.13 53.12 1hrr s LEU 70 Cb -0.11 -1.22 0.00 0.00 0.03 0.00 0.00 46.19 44.90 1hrr s LEU 70 CO 0.47 0.16 1.02 0.27 0.23 0.00 0.00 176.35 178.49 1hrr s ILE 71 N 0.20 3.81 0.01 -0.59 -5.25 0.78 -0.32 121.20 119.85 1hrr s ILE 71 Ca -0.11 0.40 -0.22 0.00 -0.99 0.00 0.00 60.65 59.73 1hrr s ILE 71 Cb -0.15 -3.56 -0.05 0.00 2.95 0.00 0.00 42.46 41.65 1hrr s ILE 71 CO 0.05 -0.68 0.64 0.21 -1.79 0.00 0.00 174.94 173.38 1hrr s ASN 72 N -4.30 7.04 0.52 4.36 3.84 -1.26 -0.61 114.94 124.53 1hrr s ASN 72 Ca 0.56 1.24 0.33 0.00 0.21 0.00 0.00 52.86 55.21 1hrr s ASN 72 Cb -0.11 -2.39 1.48 0.00 -0.55 0.00 0.00 41.25 39.68 1hrr s ASN 72 CO 0.50 0.08 1.81 -0.37 -2.79 0.00 0.00 177.10 176.33 1hrr h VAL 73 N 4.12 0.44 0.00 -5.21 -1.51 -1.32 -2.14 116.25 110.62 1hrr h VAL 73 Ca -0.45 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 1hrr h VAL 73 Cb 1.20 0.38 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 1hrr h VAL 73 CO 0.70 0.01 0.00 0.59 -1.23 0.00 0.00 177.57 177.64 1hrr n ASN 74 N -4.26 0.00 0.00 4.19 3.02 -1.26 -0.09 115.26 116.86 1hrr n ASN 74 Ca 0.25 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.85 1hrr n ASN 74 Cb 1.16 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.33 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 0.05 3.01 0.00 7.41 0.00 0.32 -0.48 105.19 115.50 1hrr n GLY 75 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1hrr n GLY 75 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1hrr n TRP 76 N 14.00 0.00 0.00 1.61 -0.00 -1.26 -1.96 117.44 129.83 1hrr n TRP 76 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1hrr n TRP 76 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 1hrr n TRP 76 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1hrr n ALA 78 N 0.00 0.10 -0.25 0.00 0.00 0.81 -0.33 120.51 120.84 1hrr n ALA 78 Ca 0.00 0.80 0.03 0.00 0.00 0.00 0.00 53.44 54.27 1hrr n ALA 78 Cb 0.00 -0.45 0.16 0.00 0.00 0.00 0.00 19.45 19.16 1hrr n ALA 78 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1hrr h SER 79 N 0.00 0.43 0.00 0.00 0.02 -1.87 -3.44 113.55 108.70 1hrr h SER 79 Ca 0.33 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 1hrr h SER 79 Cb 0.52 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1hrr h SER 79 CO -0.76 0.23 0.00 1.87 -1.14 0.00 0.00 176.83 177.02 1hrr n TRP 80 N -4.89 0.00 -0.70 3.45 -0.00 0.55 -4.94 117.44 110.91 1hrr n TRP 80 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.62 1hrr n TRP 80 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.63 1hrr n TRP 80 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 177.69 180.10 1hrr n THR 81 N 0.00 -2.80 -1.61 5.87 -1.04 -1.26 -4.04 114.28 109.40 1hrr n THR 81 Ca 0.00 0.23 -0.48 0.00 -2.04 0.00 0.00 64.05 61.76 1hrr n THR 81 Cb 0.00 -2.42 -0.04 0.00 -1.82 0.00 0.00 70.33 66.05 1hrr n THR 81 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1hrr n LEU 82 N 0.13 2.00 -4.51 -4.42 0.00 -1.26 -0.14 117.00 108.79 1hrr n LEU 82 Ca 0.00 1.13 -0.14 0.00 0.00 0.00 0.00 56.01 57.00 1hrr n LEU 82 Cb 0.00 -1.27 -0.11 0.00 0.00 0.00 0.00 43.42 42.04 1hrr n LEU 82 CO 0.00 -1.01 1.37 1.17 0.00 0.00 0.00 177.39 178.92 1hrr n LYS 83 N 2.07 0.32 -2.98 1.96 4.81 0.22 -4.11 118.16 120.45 1hrr n LYS 83 Ca 0.15 -0.74 -0.42 0.00 -0.87 0.00 0.00 58.31 56.43 1hrr n LYS 83 Cb 0.25 -2.95 0.01 0.00 0.02 0.00 0.00 35.03 32.36 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 15.03 5.24 0.00 3.14 0.00 -1.26 -4.89 120.51 137.77 1hrr n ALA 84 Ca 0.48 -4.79 0.00 0.00 0.00 0.00 0.00 53.44 49.13 1hrr n ALA 84 Cb 0.37 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.55 1hrr n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91