#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whe n ASN 2 N 0.00 -0.18 -0.52 0.00 5.15 -1.26 -4.14 115.26 114.31 1whe n ASN 2 Ca 0.00 -0.15 -0.07 0.00 -0.60 0.00 0.00 54.58 53.76 1whe n ASN 2 Cb 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.22 1whe n ASN 2 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1whe n SER 3 N -0.72 -5.47 -0.26 1.20 2.88 -1.26 -4.83 113.62 105.17 1whe n SER 3 Ca 0.00 0.17 0.04 0.00 -1.33 0.00 0.00 58.87 57.75 1whe n SER 3 Cb 0.00 -3.56 0.17 0.00 -0.75 0.00 0.00 64.21 60.07 1whe n SER 3 CO 0.00 0.00 0.00 2.19 -1.23 0.00 0.00 175.04 176.00 1whe h PHE 4 N 0.00 0.59 -1.69 0.66 -5.15 -2.01 -3.48 116.94 105.86 1whe h PHE 4 Ca -0.14 0.03 -0.49 0.00 -0.20 0.00 0.00 57.97 57.17 1whe h PHE 4 Cb 0.99 -0.15 0.01 0.00 0.22 0.00 0.00 35.95 37.02 1whe h PHE 4 CO 0.54 0.14 1.61 1.47 -2.00 0.00 0.00 178.31 180.07 1whe n LEU 5 N -4.93 2.54 0.00 2.10 -0.00 -1.26 -5.07 117.00 110.38 1whe n LEU 5 Ca 0.13 -0.34 0.00 0.00 -0.00 0.00 0.00 56.01 55.80 1whe n LEU 5 Cb 0.36 -1.58 0.00 0.00 -0.00 0.00 0.00 43.42 42.20 1whe n LEU 5 CO 0.21 -1.36 0.00 1.33 -0.00 0.00 0.00 177.39 177.57 1whe n VAL 8 N 7.95 0.00 0.02 1.47 0.24 -1.26 -5.19 118.33 121.56 1whe n VAL 8 Ca 0.35 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.47 1whe n VAL 8 Cb 0.52 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.75 1whe n VAL 8 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1whe h LYS 9 N 0.00 0.23 -0.21 7.34 1.63 -2.01 -3.47 116.57 120.07 1whe h LYS 9 Ca 0.00 -0.38 0.26 0.00 -0.85 0.00 0.00 60.65 59.67 1whe h LYS 9 Cb 0.00 0.14 -0.25 0.00 -0.60 0.00 0.00 32.23 31.52 1whe h LYS 9 CO 0.00 1.18 0.41 -1.14 -3.45 0.00 0.00 179.45 176.46 1whe s GLN 10 N -2.38 0.07 0.92 1.90 0.74 -1.26 -5.15 119.66 114.50 1whe s GLN 10 Ca -0.15 0.17 -0.13 0.00 0.05 0.00 0.00 55.36 55.29 1whe s GLN 10 Cb 0.00 0.10 0.01 0.00 1.10 0.00 0.00 33.01 34.22 1whe s GLN 10 CO 0.79 -0.04 0.35 0.41 -0.55 0.00 0.00 175.29 176.26 1whe n GLY 11 N 4.90 -2.09 0.00 2.59 0.00 -1.26 -4.98 105.19 104.34 1whe n GLY 11 Ca -0.07 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1whe n GLY 11 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1whe n ASN 12 N -0.88 0.00 0.00 1.61 5.15 -1.26 -5.04 115.26 114.84 1whe n ASN 12 Ca 0.07 0.03 0.00 0.00 -0.60 0.00 0.00 54.58 54.08 1whe n ASN 12 Cb 0.53 -0.23 0.00 0.00 -0.53 0.00 0.00 39.78 39.55 1whe n ASN 12 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1whe n LEU 13 N -1.87 0.00 0.00 1.20 7.94 -1.26 -5.00 117.00 118.02 1whe n LEU 13 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1whe n LEU 13 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1whe n LEU 13 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.39 176.82 1whe n ARG 15 N 0.00 0.00 0.00 1.96 1.74 -1.26 -4.91 116.66 114.19 1whe n ARG 15 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1whe n ARG 15 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1whe n ARG 15 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1whe n LEU 18 N 0.00 7.01 0.00 0.00 -0.00 -1.26 -3.41 117.00 119.34 1whe n LEU 18 Ca 0.00 -4.51 0.00 0.00 -0.00 0.00 0.00 56.01 51.50 1whe n LEU 18 Cb 0.00 -0.84 0.00 0.00 -0.00 0.00 0.00 43.42 42.58 1whe n LEU 18 CO 0.00 1.68 0.00 0.00 -0.00 0.00 0.00 177.39 179.07 1whe n ALA 21 N -0.80 0.00 -2.19 1.96 0.00 -1.26 -5.08 120.51 113.14 1whe n ALA 21 Ca 0.57 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.91 1whe n ALA 21 Cb 0.65 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.00 1whe n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1whe n SER 23 N 0.10 0.00 -4.32 0.00 2.88 -1.22 -4.74 113.62 106.31 1whe n SER 23 Ca -0.13 0.00 -0.47 0.00 -1.33 0.00 0.00 58.87 56.94 1whe n SER 23 Cb 0.61 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.04 1whe n SER 23 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 1whe s LEU 24 N 0.00 6.61 0.00 2.46 2.34 -1.26 -4.38 118.68 124.45 1whe s LEU 24 Ca 0.00 -2.47 0.00 0.00 0.06 0.00 0.00 54.13 51.72 1whe s LEU 24 Cb 0.00 -2.21 0.00 0.00 -0.56 0.00 0.00 46.19 43.42 1whe s LEU 24 CO 0.00 -0.64 0.00 0.00 -1.06 0.00 0.00 176.35 174.65 1whe n ALA 27 N 4.28 0.00 0.07 1.48 0.00 -1.26 -5.05 120.51 120.02 1whe n ALA 27 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1whe n ALA 27 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1whe n ALA 27 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1whe n ARG 28 N 0.00 0.09 -1.96 0.00 -4.01 -1.26 -4.02 116.66 105.49 1whe n ARG 28 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 1whe n ARG 28 Cb 0.00 -1.46 0.00 0.00 -3.04 0.00 0.00 32.46 27.96 1whe n ARG 28 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 1whe n VAL 30 N 1.12 0.00 0.00 8.89 0.31 -1.26 -4.97 118.33 122.41 1whe n VAL 30 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1whe n VAL 30 Cb 0.04 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.97 1whe n VAL 30 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1whe n PHE 31 N -0.76 0.00 0.00 3.52 3.01 -1.26 -4.73 117.46 117.25 1whe n PHE 31 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1whe n PHE 31 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1whe n PHE 31 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1whe n ASP 33 N 0.00 -1.45 -0.85 4.37 8.00 -1.26 -5.06 116.55 120.29 1whe n ASP 33 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1whe n ASP 33 Cb 0.00 0.92 0.00 0.00 -0.02 0.00 0.00 41.12 42.02 1whe n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1whe n ALA 34 N -0.44 2.46 0.00 2.24 0.00 -1.26 -2.82 120.51 120.70 1whe n ALA 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1whe n ALA 34 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1whe n ALA 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1whe n GLN 36 N 0.37 0.00 0.20 0.00 1.13 -1.26 -1.51 117.38 116.31 1whe n GLN 36 Ca 0.00 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 55.18 1whe n GLN 36 Cb 0.41 0.00 0.66 0.00 0.11 0.00 0.00 30.24 31.42 1whe n GLN 36 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 1whe h THR 37 N 0.00 0.00 0.00 5.09 1.35 -1.90 0.68 112.91 118.13 1whe h THR 37 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1whe h THR 37 Cb 0.00 0.53 0.00 0.00 -1.73 0.00 0.00 68.15 66.95 1whe h THR 37 CO 0.00 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 174.60 1whe n ASP 38 N -2.38 0.00 0.00 5.36 -0.08 -0.57 -3.98 116.55 114.90 1whe n ASP 38 Ca -0.02 -0.13 0.00 0.00 -1.51 0.00 0.00 54.79 53.13 1whe n ASP 38 Cb 0.11 -0.29 0.00 0.00 2.34 0.00 0.00 41.12 43.28 1whe n ASP 38 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1whe n PHE 40 N -1.29 0.00 0.00 -0.67 7.35 0.24 -4.12 117.46 118.97 1whe n PHE 40 Ca 0.14 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.83 1whe n PHE 40 Cb 0.24 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.07 1whe n PHE 40 CO 0.00 0.00 0.00 0.91 -0.76 0.00 0.00 176.76 176.91 1whe n TRP 41 N 0.00 0.00 -4.02 -5.13 5.03 -1.25 -4.20 117.44 107.87 1whe n TRP 41 Ca 0.00 0.00 -0.32 0.00 3.03 0.00 0.00 57.50 60.21 1whe n TRP 41 Cb 0.00 0.00 -0.04 0.00 -1.03 0.00 0.00 31.31 30.24 1whe n TRP 41 CO 0.00 0.00 0.00 0.45 -0.03 0.00 0.00 177.69 178.11 1whe n SER 42 N -0.29 -1.11 -2.18 -0.99 2.88 -1.26 -0.71 113.62 109.96 1whe n SER 42 Ca 0.00 -1.07 -0.06 0.00 -1.33 0.00 0.00 58.87 56.41 1whe n SER 42 Cb 0.00 -1.31 0.03 0.00 -0.75 0.00 0.00 64.21 62.18 1whe n SER 42 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1whe n LYS 43 N -4.16 -1.17 -1.13 -1.46 4.81 -1.26 -4.67 118.16 109.12 1whe n LYS 43 Ca -0.19 0.35 -0.09 0.00 -0.87 0.00 0.00 58.31 57.51 1whe n LYS 43 Cb 0.52 -3.35 -0.09 0.00 0.02 0.00 0.00 35.03 32.13 1whe n LYS 43 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1whe n TYR 44 N -2.21 0.00 -0.61 5.64 9.36 0.11 -4.52 117.16 124.93 1whe n TYR 44 Ca -0.04 0.00 0.06 0.00 3.32 0.00 0.00 57.90 61.24 1whe n TYR 44 Cb 0.55 -0.47 0.08 0.00 -0.63 0.00 0.00 39.34 38.88 1whe n TYR 44 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1whe n LYS 45 N 4.60 2.05 0.00 2.98 4.76 -1.26 -5.11 118.16 126.18 1whe n LYS 45 Ca 0.27 -2.13 0.00 0.00 -2.87 0.00 0.00 58.31 53.59 1whe n LYS 45 Cb 0.32 -1.29 0.00 0.00 -1.84 0.00 0.00 35.03 32.22 1whe n LYS 45 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1whe n ASP 46 N -1.00 0.00 -0.40 4.39 2.03 -1.26 -4.96 116.55 115.35 1whe n ASP 46 Ca 0.09 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.39 1whe n ASP 46 Cb 0.48 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.87 1whe n ASP 46 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1whe n GLY 47 N -0.65 0.25 2.15 0.27 0.00 -1.26 -4.08 105.19 101.86 1whe n GLY 47 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1whe n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1whe n ASP 48 N 0.00 -2.51 0.14 1.61 8.00 -1.26 -4.68 116.55 117.85 1whe n ASP 48 Ca -0.04 0.27 0.12 0.00 0.71 0.00 0.00 54.79 55.84 1whe n ASP 48 Cb 0.30 -2.31 0.27 0.00 -0.02 0.00 0.00 41.12 39.36 1whe n ASP 48 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1whe h GLN 49 N 0.00 0.00 -2.15 -1.24 4.20 -1.92 0.01 115.11 114.01 1whe h GLN 49 Ca -0.17 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.00 1whe h GLN 49 Cb 0.90 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 28.27 1whe h GLN 49 CO 0.22 0.00 -0.91 0.00 -0.67 0.00 0.00 178.83 177.47 1whe n GLU 51 N 0.06 1.35 0.00 0.00 1.02 -0.01 -4.31 120.64 118.75 1whe n GLU 51 Ca 0.28 -0.47 0.00 0.00 -0.02 0.00 0.00 57.16 56.95 1whe n GLU 51 Cb 0.52 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.61 1whe n GLU 51 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1whe n GLY 52 N 1.58 1.62 0.28 0.62 0.00 -1.26 -4.92 105.19 103.11 1whe n GLY 52 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1whe n GLY 52 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1whe n HIS 53 N 0.00 0.00 0.30 1.61 8.25 -1.26 -4.94 115.22 119.17 1whe n HIS 53 Ca 0.00 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.65 1whe n HIS 53 Cb 0.00 -0.28 0.97 0.00 1.12 0.00 0.00 29.99 31.80 1whe n HIS 53 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1whe h PRO 54 N 0.00 0.00 -6.46 -0.41 0.13 -1.91 -3.42 132.00 119.93 1whe h PRO 54 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 1whe h PRO 54 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 1whe h PRO 54 CO 0.00 0.00 1.01 0.00 -0.23 0.00 0.00 178.00 178.78 1whe n LEU 56 N 5.58 0.00 -2.63 0.00 4.77 -1.13 -4.30 117.00 119.30 1whe n LEU 56 Ca 0.16 -0.58 -0.08 0.00 -0.03 0.00 0.00 56.01 55.48 1whe n LEU 56 Cb 0.40 -0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 41.24 1whe n LEU 56 CO 0.63 -0.70 -0.03 -0.46 -1.33 0.00 0.00 177.39 175.50 1whe n ASN 57 N -3.07 -1.01 -2.23 -1.43 0.23 -1.26 -3.21 115.26 103.29 1whe n ASN 57 Ca 0.05 0.08 -0.03 0.00 -0.53 0.00 0.00 54.58 54.14 1whe n ASN 57 Cb 0.18 -0.96 -0.03 0.00 -2.08 0.00 0.00 39.78 36.89 1whe n ASN 57 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1whe n GLN 58 N -2.43 -3.58 0.00 -3.83 3.00 -1.26 -4.62 117.38 104.65 1whe n GLN 58 Ca 0.02 2.79 0.00 0.00 -0.01 0.00 0.00 57.00 59.81 1whe n GLN 58 Cb 0.41 -3.94 0.00 0.00 0.00 0.00 0.00 30.24 26.71 1whe n GLN 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1whe n GLY 59 N 1.30 4.57 3.57 1.08 0.00 -1.20 -3.86 105.19 110.66 1whe n GLY 59 Ca -0.23 -0.58 -0.04 0.00 0.00 0.00 0.00 46.02 45.17 1whe n GLY 59 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1whe s HIS 60 N 3.41 -1.16 -0.29 1.61 2.46 -0.33 -4.90 115.29 116.10 1whe s HIS 60 Ca 0.00 2.11 -0.28 0.00 0.47 0.00 0.00 55.06 57.36 1whe s HIS 60 Cb 0.00 0.66 0.01 0.00 -0.13 0.00 0.00 32.58 33.12 1whe s HIS 60 CO 0.00 -0.59 0.99 0.00 -2.47 0.00 0.00 174.74 172.67 1whe n LYS 62 N 6.54 0.00 0.00 0.00 4.76 -0.71 -4.97 118.16 123.78 1whe n LYS 62 Ca 0.10 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 1whe n LYS 62 Cb 0.47 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.66 1whe n LYS 62 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1whe n GLY 64 N 5.00 -1.94 0.00 0.72 0.00 0.17 -4.62 105.19 104.52 1whe n GLY 64 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 46.02 46.98 1whe n GLY 64 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1whe n ILE 65 N 0.00 0.00 0.00 -0.61 -0.00 -1.26 -1.19 119.36 116.30 1whe n ILE 65 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1whe n ILE 65 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 1whe n ILE 65 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1whe n GLY 66 N 0.34 2.88 3.83 7.39 0.00 -1.26 -1.90 105.19 116.47 1whe n GLY 66 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1whe n GLY 66 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1whe s ASP 67 N -0.26 -0.06 0.37 1.61 2.15 -0.33 -4.92 116.67 115.23 1whe s ASP 67 Ca 0.00 -0.57 -0.17 0.00 0.43 0.00 0.00 52.55 52.25 1whe s ASP 67 Cb 0.00 0.48 0.05 0.00 -0.30 0.00 0.00 42.92 43.16 1whe s ASP 67 CO 0.00 -0.94 0.80 -0.72 -0.17 0.00 0.00 175.17 174.15 1whe s TYR 68 N -2.54 0.09 0.37 -5.34 -0.85 -1.26 0.43 117.35 108.25 1whe s TYR 68 Ca 0.18 -0.74 0.01 0.00 -0.52 0.00 0.00 57.07 56.01 1whe s TYR 68 Cb -0.02 0.82 -0.01 0.00 0.38 0.00 0.00 41.96 43.14 1whe s TYR 68 CO 0.04 -1.51 0.05 0.25 -1.52 0.00 0.00 175.55 172.86 1whe n THR 69 N -0.53 0.00 -3.76 -3.49 -2.24 -1.26 -4.90 114.28 98.09 1whe n THR 69 Ca -0.08 -1.90 -0.12 0.00 -2.27 0.00 0.00 64.05 59.67 1whe n THR 69 Cb 0.60 0.51 -0.12 0.00 -2.10 0.00 0.00 70.33 69.22 1whe n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1whe s THR 71 N 0.72 4.04 0.35 0.00 2.01 -0.72 -4.91 115.64 117.13 1whe s THR 71 Ca -0.05 -0.30 0.07 0.00 0.31 0.00 0.00 61.69 61.72 1whe s THR 71 Cb -0.06 -2.78 -0.02 0.00 0.01 0.00 0.00 72.50 69.64 1whe s THR 71 CO -0.04 0.48 0.32 0.00 -0.69 0.00 0.00 174.62 174.69 1whe s ALA 73 N -2.32 -0.34 0.09 0.00 0.00 -1.25 -4.88 121.76 113.06 1whe s ALA 73 Ca 0.43 -0.95 -0.18 0.00 0.00 0.00 0.00 51.96 51.25 1whe s ALA 73 Cb -0.06 -2.88 -0.08 0.00 0.00 0.00 0.00 23.12 20.10 1whe s ALA 73 CO 0.27 -4.39 1.52 1.49 0.00 0.00 0.00 175.76 174.65 1whe h GLU 74 N -3.27 0.48 -1.62 0.00 4.81 -1.99 -2.97 114.58 110.03 1whe h GLU 74 Ca -0.41 -0.16 -0.14 0.00 -0.13 0.00 0.00 59.36 58.51 1whe h GLU 74 Cb 1.32 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 30.60 1whe h GLU 74 CO 0.26 0.65 0.19 0.41 -0.73 0.00 0.00 179.01 179.79 1whe n GLY 75 N -0.30 3.11 2.99 1.92 0.00 -1.26 -4.82 105.19 106.83 1whe n GLY 75 Ca -0.03 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 1whe n GLY 75 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1whe s PHE 76 N -0.83 0.20 0.25 1.61 0.40 -1.12 -1.24 117.98 117.24 1whe s PHE 76 Ca 0.14 -0.42 -0.20 0.00 -0.60 0.00 0.00 56.93 55.85 1whe s PHE 76 Cb 0.11 -0.15 0.03 0.00 0.51 0.00 0.00 43.02 43.52 1whe s PHE 76 CO 0.00 -0.19 0.65 -1.83 0.70 0.00 0.00 175.22 174.56 1whe s GLU 77 N -1.33 1.63 0.00 0.44 -1.05 -0.66 -4.73 118.70 113.00 1whe s GLU 77 Ca -0.15 -0.90 0.00 0.00 -0.15 0.00 0.00 54.97 53.77 1whe s GLU 77 Cb -0.09 0.58 0.00 0.00 -0.44 0.00 0.00 34.13 34.19 1whe s GLU 77 CO -0.01 -0.73 0.00 0.41 0.95 0.00 0.00 175.26 175.88 1whe n GLY 78 N -0.42 2.44 0.11 -3.83 0.00 -1.26 -2.80 105.19 99.42 1whe n GLY 78 Ca -0.07 -2.05 -0.04 0.00 0.00 0.00 0.00 46.02 43.87 1whe n GLY 78 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1whe h LYS 79 N 0.00 -0.15 -0.09 1.61 3.11 -2.01 0.09 116.57 119.12 1whe h LYS 79 Ca 0.00 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 1whe h LYS 79 Cb 0.00 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.27 1whe h LYS 79 CO 0.00 -0.10 0.00 0.09 -2.81 0.00 0.00 179.45 176.63 1whe n ASN 80 N -3.16 0.63 -0.90 4.20 3.02 -1.26 -4.82 115.26 112.96 1whe n ASN 80 Ca -0.02 -1.76 -0.12 0.00 -0.03 0.00 0.00 54.58 52.66 1whe n ASN 80 Cb 0.09 -0.06 -0.05 0.00 -0.61 0.00 0.00 39.78 39.15 1whe n ASN 80 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1whe h GLU 82 N 0.02 0.00 -5.45 0.00 4.11 -1.83 -3.37 114.58 108.06 1whe h GLU 82 Ca -0.24 0.00 -0.64 0.00 0.07 0.00 0.00 59.36 58.55 1whe h GLU 82 Cb 1.16 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.26 1whe h GLU 82 CO 0.35 0.00 0.38 -0.06 0.07 0.00 0.00 179.01 179.75 1whe s PHE 83 N -3.60 2.86 -0.32 2.06 0.08 -1.12 -4.96 117.98 112.98 1whe s PHE 83 Ca -0.02 -0.32 -0.15 0.00 0.12 0.00 0.00 56.93 56.56 1whe s PHE 83 Cb 0.06 -3.94 -0.02 0.00 -0.57 0.00 0.00 43.02 38.55 1whe s PHE 83 CO 0.20 -1.30 0.37 -1.54 -0.10 0.00 0.00 175.22 172.85 1whe s SER 84 N 2.97 6.20 -0.13 1.36 1.04 -1.26 -1.65 113.70 122.24 1whe s SER 84 Ca 0.23 -0.07 -0.22 0.00 0.48 0.00 0.00 55.95 56.37 1whe s SER 84 Cb -0.16 -2.20 -0.26 0.00 0.10 0.00 0.00 66.02 63.50 1whe s SER 84 CO 0.15 -0.30 0.61 0.71 0.98 0.00 0.00 173.24 175.40 1whe h THR 85 N 5.50 1.34 -0.01 2.02 1.35 -1.55 -3.49 112.91 118.06 1whe h THR 85 Ca -0.30 -2.36 0.00 0.00 -0.55 0.00 0.00 66.41 63.19 1whe h THR 85 Cb 1.15 2.92 0.00 0.00 -1.73 0.00 0.00 68.15 70.49 1whe h THR 85 CO 0.68 0.59 0.00 0.54 -0.25 0.00 0.00 175.52 177.08