#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aey n LYS 6 N 0.00 -4.79 -2.72 1.61 5.02 0.12 -4.98 118.16 112.41 1aey n LYS 6 Ca 0.00 0.69 -0.39 0.00 -2.02 0.00 0.00 58.31 56.59 1aey n LYS 6 Cb 0.00 -5.34 -0.06 0.00 -0.02 0.00 0.00 35.03 29.61 1aey n LYS 6 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1aey s GLU 7 N -5.66 4.75 0.12 1.97 8.01 -1.24 -4.65 118.70 122.01 1aey s GLU 7 Ca 0.08 1.49 -0.30 0.00 0.01 0.00 0.00 54.97 56.25 1aey s GLU 7 Cb -0.02 -3.14 -0.06 0.00 -4.31 0.00 0.00 34.13 26.60 1aey s GLU 7 CO 0.79 0.41 0.96 -0.51 0.01 0.00 0.00 175.26 176.92 1aey s LEU 8 N -1.45 4.51 -0.03 1.80 1.43 -1.26 -0.80 118.68 122.88 1aey s LEU 8 Ca 0.44 1.81 0.02 0.00 -1.03 0.00 0.00 54.13 55.37 1aey s LEU 8 Cb -0.25 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.39 1aey s LEU 8 CO 0.31 -0.05 -0.06 0.68 0.23 0.00 0.00 176.35 177.46 1aey s VAL 9 N -0.10 0.59 -0.04 -1.59 -7.23 -1.07 -0.77 120.40 110.18 1aey s VAL 9 Ca 0.46 -0.23 -0.17 0.00 -1.81 0.00 0.00 61.98 60.24 1aey s VAL 9 Cb -0.24 -0.55 -0.05 0.00 0.56 0.00 0.00 36.38 36.10 1aey s VAL 9 CO 0.30 0.21 0.46 -0.22 -0.31 0.00 0.00 175.10 175.54 1aey s LEU 10 N 0.41 4.40 -0.29 1.32 0.20 0.15 -0.55 118.68 124.33 1aey s LEU 10 Ca -0.06 0.95 -0.29 0.00 0.69 0.00 0.00 54.13 55.43 1aey s LEU 10 Cb -0.10 -2.69 0.01 0.00 -0.43 0.00 0.00 46.19 42.99 1aey s LEU 10 CO 0.00 0.18 1.07 0.00 -0.29 0.00 0.00 176.35 177.31 1aey s ALA 11 N -0.37 3.56 -0.03 5.97 0.00 0.15 -1.48 121.76 129.55 1aey s ALA 11 Ca 0.26 0.03 0.12 0.00 0.00 0.00 0.00 51.96 52.36 1aey s ALA 11 Cb -0.17 -3.63 -0.04 0.00 0.00 0.00 0.00 23.12 19.28 1aey s ALA 11 CO 0.13 -1.34 1.38 -0.07 0.00 0.00 0.00 175.76 175.86 1aey h LEU 12 N 9.88 0.00 -8.11 0.00 3.38 -1.04 0.10 115.31 119.53 1aey h LEU 12 Ca -0.20 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.62 1aey h LEU 12 Cb 1.06 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.63 1aey h LEU 12 CO 1.01 0.71 -0.69 -0.31 0.09 0.00 0.00 178.44 179.26 1aey s TYR 13 N -2.86 0.39 0.29 1.13 2.02 -1.25 -4.82 117.35 112.24 1aey s TYR 13 Ca 0.03 -0.79 -0.29 0.00 -0.37 0.00 0.00 57.07 55.64 1aey s TYR 13 Cb 0.09 -0.29 -0.09 0.00 -0.40 0.00 0.00 41.96 41.27 1aey s TYR 13 CO 0.78 -0.29 1.06 -0.51 -1.57 0.00 0.00 175.55 175.02 1aey s ASP 14 N -2.19 7.27 -0.12 2.29 1.11 -1.26 -3.97 116.67 119.80 1aey s ASP 14 Ca -0.05 2.18 -0.05 0.00 0.18 0.00 0.00 52.55 54.81 1aey s ASP 14 Cb -0.01 -2.62 0.06 0.00 1.07 0.00 0.00 42.92 41.42 1aey s ASP 14 CO -0.05 -0.13 0.26 -0.47 1.18 0.00 0.00 175.17 175.96 1aey s TYR 15 N -1.24 -0.41 -0.09 4.23 5.04 -0.41 -4.90 117.35 119.57 1aey s TYR 15 Ca 0.46 0.93 -0.15 0.00 -2.44 0.00 0.00 57.07 55.87 1aey s TYR 15 Cb -0.29 -0.00 -0.05 0.00 0.35 0.00 0.00 41.96 41.97 1aey s TYR 15 CO 0.37 -0.32 0.37 -1.14 -1.34 0.00 0.00 175.55 173.50 1aey s GLN 16 N 2.06 4.13 0.24 4.97 0.74 -1.26 -1.05 119.66 129.49 1aey s GLN 16 Ca -0.02 0.29 -0.31 0.00 0.05 0.00 0.00 55.36 55.37 1aey s GLN 16 Cb -0.11 -3.35 -0.14 0.00 1.10 0.00 0.00 33.01 30.51 1aey s GLN 16 CO -0.09 0.39 1.27 -0.85 -0.55 0.00 0.00 175.29 175.47 1aey n GLU 17 N 2.95 1.71 0.19 1.67 0.28 -1.26 -4.90 120.64 121.28 1aey n GLU 17 Ca -0.12 0.61 0.08 0.00 -0.16 0.00 0.00 57.16 57.57 1aey n GLU 17 Cb 0.52 -2.17 0.14 0.00 1.43 0.00 0.00 31.44 31.36 1aey n GLU 17 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 1aey h LYS 18 N 3.50 0.00 -3.14 3.44 3.64 -1.91 -3.47 116.57 118.63 1aey h LYS 18 Ca -0.44 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 58.97 1aey h LYS 18 Cb 1.30 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.08 1aey h LYS 18 CO 0.71 0.22 0.17 -1.54 -2.27 0.00 0.00 179.45 176.74 1aey s SER 19 N -6.29 -0.15 0.64 4.20 1.04 -1.26 -4.98 113.70 106.89 1aey s SER 19 Ca 0.05 -0.78 0.30 0.00 0.48 0.00 0.00 55.95 56.00 1aey s SER 19 Cb 0.06 0.73 1.62 0.00 0.10 0.00 0.00 66.02 68.53 1aey s SER 19 CO 0.69 -1.37 1.94 -0.65 0.98 0.00 0.00 173.24 174.83 1aey h PRO 20 N 2.04 0.00 0.14 4.02 0.11 -2.03 -1.22 132.00 135.06 1aey h PRO 20 Ca -0.23 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.60 1aey h PRO 20 Cb 1.25 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.37 1aey h PRO 20 CO 0.28 0.00 -1.26 0.00 -0.21 0.00 0.00 178.00 176.81 1aey h ARG 21 N 0.00 0.36 -7.58 1.05 3.08 -1.97 -3.44 114.38 105.87 1aey h ARG 21 Ca 0.05 -0.57 -0.47 0.00 0.07 0.00 0.00 59.98 59.06 1aey h ARG 21 Cb 0.75 0.21 0.11 0.00 0.08 0.00 0.00 29.97 31.12 1aey h ARG 21 CO -0.00 1.26 0.38 -1.21 -1.07 0.00 0.00 179.97 179.34 1aey s GLU 22 N -2.72 1.82 -0.01 0.04 8.01 -0.46 -1.63 118.70 123.75 1aey s GLU 22 Ca -0.05 0.17 -0.02 0.00 0.01 0.00 0.00 54.97 55.08 1aey s GLU 22 Cb 0.07 -1.93 -0.00 0.00 -4.31 0.00 0.00 34.13 27.96 1aey s GLU 22 CO 0.90 -1.71 0.04 0.54 0.01 0.00 0.00 175.26 175.04 1aey s VAL 23 N -3.50 0.04 0.34 2.63 0.11 -0.76 -4.57 120.40 114.68 1aey s VAL 23 Ca 0.62 -0.32 -0.25 0.00 -2.93 0.00 0.00 61.98 59.10 1aey s VAL 23 Cb -0.12 -0.17 -0.10 0.00 -1.53 0.00 0.00 36.38 34.46 1aey s VAL 23 CO 0.50 -0.18 0.94 -0.89 -3.33 0.00 0.00 175.10 172.15 1aey s THR 24 N -0.53 4.24 0.08 5.04 2.01 -1.26 -4.26 115.64 120.95 1aey s THR 24 Ca -0.06 1.77 -0.07 0.00 0.31 0.00 0.00 61.69 63.65 1aey s THR 24 Cb -0.04 -3.95 -0.01 0.00 0.01 0.00 0.00 72.50 68.51 1aey s THR 24 CO -0.00 0.08 0.14 0.00 -0.69 0.00 0.00 174.62 174.15 1aey s MET 25 N -2.21 0.80 0.25 4.92 0.23 -0.21 -4.94 119.30 118.13 1aey s MET 25 Ca 0.52 -1.02 0.08 0.00 -1.03 0.00 0.00 55.69 54.23 1aey s MET 25 Cb -0.17 0.31 -0.04 0.00 -1.53 0.00 0.00 34.83 33.40 1aey s MET 25 CO 0.22 -0.24 0.13 0.21 -2.03 0.00 0.00 175.02 173.31 1aey s LYS 26 N -3.88 2.73 0.53 3.16 2.20 -1.26 -1.29 119.74 121.93 1aey s LYS 26 Ca 0.06 -1.14 -0.21 0.00 -0.36 0.00 0.00 55.97 54.32 1aey s LYS 26 Cb 0.06 -2.45 -0.07 0.00 -1.51 0.00 0.00 37.83 33.85 1aey s LYS 26 CO -0.10 0.40 1.03 1.17 -0.36 0.00 0.00 175.35 177.49 1aey n LYS 27 N -0.99 1.19 0.00 4.03 4.81 -1.25 -2.79 118.16 123.16 1aey n LYS 27 Ca -0.08 0.44 0.00 0.00 -0.87 0.00 0.00 58.31 57.81 1aey n LYS 27 Cb 0.58 -2.18 0.00 0.00 0.02 0.00 0.00 35.03 33.44 1aey n LYS 27 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1aey n GLY 28 N 1.17 3.01 3.72 3.14 0.00 0.36 -4.95 105.19 111.63 1aey n GLY 28 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1aey n GLY 28 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1aey n ASP 29 N 0.00 3.03 -4.30 1.61 9.92 -1.12 -4.54 116.55 121.15 1aey n ASP 29 Ca 0.00 1.20 -0.45 0.00 -0.53 0.00 0.00 54.79 55.01 1aey n ASP 29 Cb 0.00 -1.52 -0.05 0.00 -0.64 0.00 0.00 41.12 38.90 1aey n ASP 29 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1aey s ILE 30 N -1.11 5.10 0.85 0.53 -0.00 -1.26 -0.68 121.20 124.63 1aey s ILE 30 Ca 0.55 -1.54 -0.08 0.00 -0.00 0.00 0.00 60.65 59.59 1aey s ILE 30 Cb -0.54 -4.28 0.18 0.00 -0.00 0.00 0.00 42.46 37.82 1aey s ILE 30 CO 0.62 -0.86 1.17 -0.76 -0.00 0.00 0.00 174.94 175.11 1aey s LEU 31 N 1.57 2.85 -0.25 0.37 1.43 0.29 -4.87 118.68 120.07 1aey s LEU 31 Ca 0.03 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 1aey s LEU 31 Cb -0.29 -1.97 0.07 0.00 0.03 0.00 0.00 46.19 44.03 1aey s LEU 31 CO 0.03 -2.36 -0.00 -0.89 0.23 0.00 0.00 176.35 173.35 1aey s THR 32 N -3.52 1.33 -0.17 5.49 2.01 -1.25 -2.59 115.64 116.94 1aey s THR 32 Ca 0.71 -1.25 -0.29 0.00 0.31 0.00 0.00 61.69 61.17 1aey s THR 32 Cb -0.04 -1.74 -0.00 0.00 0.01 0.00 0.00 72.50 70.74 1aey s THR 32 CO 0.49 -0.26 1.02 -0.22 -0.69 0.00 0.00 174.62 174.95 1aey s LEU 33 N 1.46 4.18 -0.19 4.42 2.96 0.02 -0.44 118.68 131.08 1aey s LEU 33 Ca -0.01 1.45 -0.11 0.00 -0.22 0.00 0.00 54.13 55.24 1aey s LEU 33 Cb -0.18 -3.54 -0.20 0.00 0.50 0.00 0.00 46.19 42.77 1aey s LEU 33 CO -0.10 -0.55 0.11 -0.11 -1.32 0.00 0.00 176.35 174.38 1aey n LEU 34 N 5.63 2.35 -3.66 -0.68 7.94 -0.14 0.10 117.00 128.54 1aey n LEU 34 Ca 0.10 0.24 -0.07 0.00 -1.11 0.00 0.00 56.01 55.17 1aey n LEU 34 Cb 0.47 -0.99 -0.08 0.00 0.53 0.00 0.00 43.42 43.35 1aey n LEU 34 CO 0.52 0.65 0.24 0.21 -1.11 0.00 0.00 177.39 177.90 1aey s ASN 35 N -6.97 -0.83 -0.56 1.96 2.47 -0.15 -4.68 114.94 106.18 1aey s ASN 35 Ca -0.29 1.34 0.04 0.00 0.42 0.00 0.00 52.86 54.37 1aey s ASN 35 Cb 0.08 1.41 0.39 0.00 -1.45 0.00 0.00 41.25 41.68 1aey s ASN 35 CO 0.64 -0.23 1.21 -1.54 -3.72 0.00 0.00 177.10 173.47 1aey n SER 36 N 4.61 5.13 0.13 -4.21 3.41 -1.26 -0.63 113.62 120.79 1aey n SER 36 Ca -0.18 -3.72 -0.14 0.00 -0.26 0.00 0.00 58.87 54.56 1aey n SER 36 Cb 0.55 -0.59 -0.07 0.00 -0.26 0.00 0.00 64.21 63.84 1aey n SER 36 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1aey h THR 37 N 2.60 0.25 -2.89 6.66 2.02 -1.97 -3.44 112.91 116.13 1aey h THR 37 Ca 0.30 0.00 -0.48 0.00 0.77 0.00 0.00 66.41 67.00 1aey h THR 37 Cb 0.67 0.25 0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1aey h THR 37 CO 0.93 0.00 -0.16 0.20 0.37 0.00 0.00 175.52 176.85 1aey s ASN 38 N -4.73 6.30 0.00 4.18 -0.87 -1.25 -4.97 114.94 113.60 1aey s ASN 38 Ca -0.16 0.51 0.28 0.00 -1.57 0.00 0.00 52.86 51.91 1aey s ASN 38 Cb 0.08 -2.06 1.51 0.00 -0.02 0.00 0.00 41.25 40.76 1aey s ASN 38 CO 0.64 -0.31 1.99 0.29 -2.57 0.00 0.00 177.10 177.13 1aey n LYS 39 N -1.76 0.58 -0.06 -0.60 5.02 -1.26 -4.30 118.16 115.77 1aey n LYS 39 Ca -0.04 0.02 -0.12 0.00 -2.02 0.00 0.00 58.31 56.15 1aey n LYS 39 Cb 0.56 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 34.03 1aey n LYS 39 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1aey n ASP 40 N -1.18 1.17 -3.85 4.39 9.92 -1.26 -4.54 116.55 121.20 1aey n ASP 40 Ca 0.16 0.11 -0.21 0.00 -0.53 0.00 0.00 54.79 54.32 1aey n ASP 40 Cb 0.18 -0.32 -0.17 0.00 -0.64 0.00 0.00 41.12 40.17 1aey n ASP 40 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 1aey s TRP 41 N -2.21 0.74 0.02 1.24 0.52 -1.26 -0.64 118.94 117.34 1aey s TRP 41 Ca -0.16 -0.21 -0.01 0.00 0.02 0.00 0.00 56.10 55.73 1aey s TRP 41 Cb 0.06 -0.72 -0.04 0.00 -1.15 0.00 0.00 33.47 31.62 1aey s TRP 41 CO 0.21 -0.24 0.18 -1.58 0.02 0.00 0.00 176.95 175.54 1aey s TRP 42 N 1.27 3.50 -0.18 -1.98 0.51 -0.73 -3.91 118.94 117.41 1aey s TRP 42 Ca -0.05 0.29 -0.16 0.00 -2.12 0.00 0.00 56.10 54.06 1aey s TRP 42 Cb -0.14 -1.79 -0.04 0.00 -0.81 0.00 0.00 33.47 30.70 1aey s TRP 42 CO -0.02 0.61 0.39 0.21 -0.51 0.00 0.00 176.95 177.63 1aey s LYS 43 N -2.15 4.21 0.01 4.98 2.20 0.20 -0.97 119.74 128.23 1aey s LYS 43 Ca 0.30 0.21 0.02 0.00 -0.36 0.00 0.00 55.97 56.14 1aey s LYS 43 Cb -0.13 -3.50 -0.01 0.00 -1.51 0.00 0.00 37.83 32.68 1aey s LYS 43 CO 0.22 0.03 -0.08 0.14 -0.36 0.00 0.00 175.35 175.31 1aey s VAL 44 N 1.08 0.57 -1.26 4.02 -7.23 0.00 -0.97 120.40 116.61 1aey s VAL 44 Ca 0.19 -0.60 -0.13 0.00 -1.81 0.00 0.00 61.98 59.64 1aey s VAL 44 Cb -0.14 -0.54 0.15 0.00 0.56 0.00 0.00 36.38 36.41 1aey s VAL 44 CO 0.07 -0.04 1.65 1.21 -0.31 0.00 0.00 175.10 177.69 1aey n GLU 45 N 2.36 3.40 -2.75 4.82 2.13 0.42 -1.59 120.64 129.42 1aey n GLU 45 Ca -0.17 -3.61 -0.43 0.00 0.66 0.00 0.00 57.16 53.62 1aey n GLU 45 Cb 0.57 -3.07 -0.03 0.00 0.27 0.00 0.00 31.44 29.17 1aey n GLU 45 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1aey s VAL 46 N 1.60 4.51 0.00 6.31 0.11 0.02 -3.88 120.40 129.08 1aey s VAL 46 Ca 0.43 1.25 0.00 0.00 -2.93 0.00 0.00 61.98 60.73 1aey s VAL 46 Cb 0.03 -4.39 0.00 0.00 -1.53 0.00 0.00 36.38 30.49 1aey s VAL 46 CO 0.01 -0.62 0.00 0.59 -3.33 0.00 0.00 175.10 171.75 1aey n ASN 47 N 6.97 0.00 0.00 3.54 3.02 -1.26 -1.00 115.26 126.52 1aey n ASN 47 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 1aey n ASN 47 Cb 0.48 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 1aey n ASN 47 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1aey n ASP 48 N 3.27 3.09 -4.60 6.41 5.75 -1.26 -5.04 116.55 124.16 1aey n ASP 48 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 54.79 54.35 1aey n ASP 48 Cb 0.00 0.46 -0.02 0.00 -1.03 0.00 0.00 41.12 40.53 1aey n ASP 48 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1aey s ARG 49 N -1.44 3.75 -1.35 0.11 0.52 -0.17 -4.93 118.95 115.45 1aey s ARG 49 Ca 0.00 0.64 -0.11 0.00 -0.52 0.00 0.00 55.73 55.74 1aey s ARG 49 Cb 0.00 -3.90 0.12 0.00 0.52 0.00 0.00 34.95 31.69 1aey s ARG 49 CO 0.00 -1.34 1.99 1.04 0.02 0.00 0.00 175.30 177.01 1aey n GLN 50 N 7.75 3.32 -4.45 3.54 6.02 -1.25 -0.80 117.38 131.51 1aey n GLN 50 Ca 0.12 -3.18 -0.29 0.00 -0.01 0.00 0.00 57.00 53.64 1aey n GLN 50 Cb 0.49 -3.08 -0.07 0.00 1.02 0.00 0.00 30.24 28.60 1aey n GLN 50 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1aey s GLY 51 N 1.85 2.68 0.02 1.08 0.00 -0.62 -4.79 107.32 107.53 1aey s GLY 51 Ca 0.43 -1.24 -0.19 0.00 0.00 0.00 0.00 44.72 43.72 1aey s GLY 51 CO -0.03 -2.08 0.54 -1.36 0.00 0.00 0.00 173.10 170.18 1aey s PHE 52 N -2.77 3.72 0.10 1.90 0.08 -0.65 -0.82 117.98 119.55 1aey s PHE 52 Ca 0.23 1.17 0.09 0.00 0.12 0.00 0.00 56.93 58.54 1aey s PHE 52 Cb 0.03 -2.51 -0.04 0.00 -0.57 0.00 0.00 43.02 39.94 1aey s PHE 52 CO 0.13 0.48 -0.24 0.14 -0.10 0.00 0.00 175.22 175.63 1aey s VAL 53 N -0.62 1.94 -0.07 -0.44 -7.23 -0.14 -1.84 120.40 112.00 1aey s VAL 53 Ca 0.29 -1.58 -0.32 0.00 -1.81 0.00 0.00 61.98 58.56 1aey s VAL 53 Cb -0.18 -1.73 -0.09 0.00 0.56 0.00 0.00 36.38 34.93 1aey s VAL 53 CO 0.17 0.05 2.00 -2.65 -0.31 0.00 0.00 175.10 174.36 1aey n PRO 54 N 1.15 2.37 0.31 4.82 -0.02 -1.26 -1.77 135.00 140.58 1aey n PRO 54 Ca -0.19 0.83 0.19 0.00 -2.02 0.00 0.00 63.50 62.32 1aey n PRO 54 Cb 0.53 -2.89 1.05 0.00 -0.02 0.00 0.00 33.50 32.17 1aey n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1aey h ALA 55 N 10.97 1.28 -0.68 3.55 0.00 -1.15 0.12 119.26 133.35 1aey h ALA 55 Ca -0.47 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 1aey h ALA 55 Cb 1.26 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1aey h ALA 55 CO 0.95 -0.09 0.19 0.00 0.00 0.00 0.00 179.25 180.30 1aey h ALA 56 N 1.87 1.05 -0.45 0.00 0.00 -1.80 -3.29 119.26 116.64 1aey h ALA 56 Ca 0.01 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 1aey h ALA 56 Cb 0.17 -0.27 -0.08 0.00 0.00 0.00 0.00 17.79 17.61 1aey h ALA 56 CO -0.00 0.63 0.18 0.66 0.00 0.00 0.00 179.25 180.72 1aey n TYR 57 N -4.25 1.50 -3.97 0.00 4.01 0.03 -4.83 117.16 109.64 1aey n TYR 57 Ca 0.05 -0.83 -0.12 0.00 -0.16 0.00 0.00 57.90 56.85 1aey n TYR 57 Cb 0.23 -0.49 -0.13 0.00 -0.31 0.00 0.00 39.34 38.64 1aey n TYR 57 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1aey s VAL 58 N -2.00 0.17 -0.10 -0.72 -7.23 -1.24 -0.37 120.40 108.91 1aey s VAL 58 Ca 0.33 -0.37 0.02 0.00 -1.81 0.00 0.00 61.98 60.15 1aey s VAL 58 Cb 0.26 -0.20 0.01 0.00 0.56 0.00 0.00 36.38 37.02 1aey s VAL 58 CO 0.08 -0.13 -0.15 -0.75 -0.31 0.00 0.00 175.10 173.84 1aey s LYS 59 N -0.53 2.12 0.05 4.82 2.36 -0.55 -4.92 119.74 123.10 1aey s LYS 59 Ca -0.04 -0.53 -0.31 0.00 -2.55 0.00 0.00 55.97 52.54 1aey s LYS 59 Cb -0.04 -1.81 -0.07 0.00 -1.05 0.00 0.00 37.83 34.86 1aey s LYS 59 CO -0.00 -0.06 1.48 0.15 1.55 0.00 0.00 175.35 178.46 1aey s LYS 60 N 0.98 4.26 -0.02 4.03 1.02 -1.26 -0.67 119.74 128.07 1aey s LYS 60 Ca -0.07 2.10 -0.21 0.00 0.02 0.00 0.00 55.97 57.81 1aey s LYS 60 Cb -0.15 -3.51 -0.30 0.00 -0.52 0.00 0.00 37.83 33.35 1aey s LYS 60 CO -0.01 -0.60 0.95 -0.07 -0.92 0.00 0.00 175.35 174.71 1aey h LEU 61 N 8.08 0.54 -1.67 3.17 3.38 -1.31 -3.47 115.31 124.03 1aey h LEU 61 Ca -0.40 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 56.66 1aey h LEU 61 Cb 1.19 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1aey h LEU 61 CO 0.90 1.41 0.00 0.47 0.09 0.00 0.00 178.44 181.31