#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 1.19 -2.78 1.61 5.02 -1.26 -4.48 118.16 117.46 1aey n LYS 6 Ca 0.00 -3.57 -0.35 0.00 -2.02 0.00 0.00 58.31 52.37 1aey n LYS 6 Cb 0.00 -1.55 -0.06 0.00 -0.02 0.00 0.00 35.03 33.40 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 -1.82 4.41 0.25 1.97 8.01 -1.26 -4.67 118.70 125.59 1aey s GLU 7 Ca 0.38 1.26 -0.20 0.00 0.01 0.00 0.00 54.97 56.42 1aey s GLU 7 Cb 0.22 -2.54 -0.09 0.00 -4.31 0.00 0.00 34.13 27.42 1aey s GLU 7 CO -0.09 0.13 0.77 -0.51 0.01 0.00 0.00 175.26 175.56 1aey s LEU 8 N -2.54 4.31 -0.05 1.80 1.02 -1.26 -0.66 118.68 121.31 1aey s LEU 8 Ca 0.55 1.49 0.02 0.00 0.02 0.00 0.00 54.13 56.21 1aey s LEU 8 Cb -0.15 -3.71 0.02 0.00 0.02 0.00 0.00 46.19 42.36 1aey s LEU 8 CO 0.20 -0.01 -0.07 0.68 0.02 0.00 0.00 176.35 177.17 1aey s VAL 9 N -1.58 0.72 -0.11 -1.59 -7.23 -1.04 -0.80 120.40 108.76 1aey s VAL 9 Ca 0.45 -0.24 -0.22 0.00 -1.81 0.00 0.00 61.98 60.16 1aey s VAL 9 Cb -0.16 -0.70 -0.03 0.00 0.56 0.00 0.00 36.38 36.04 1aey s VAL 9 CO 0.21 0.26 0.67 -0.22 -0.31 0.00 0.00 175.10 175.71 1aey s LEU 10 N 0.77 4.26 -0.19 1.32 0.20 0.22 -0.50 118.68 124.76 1aey s LEU 10 Ca -0.12 1.06 -0.29 0.00 0.69 0.00 0.00 54.13 55.47 1aey s LEU 10 Cb -0.14 -3.01 0.00 0.00 -0.43 0.00 0.00 46.19 42.61 1aey s LEU 10 CO 0.01 -0.17 1.07 0.00 -0.29 0.00 0.00 176.35 176.97 1aey s ALA 11 N 1.16 3.62 0.07 5.97 0.00 0.45 -0.65 121.76 132.38 1aey s ALA 11 Ca 0.34 0.27 0.09 0.00 0.00 0.00 0.00 51.96 52.66 1aey s ALA 11 Cb -0.17 -3.53 -0.13 0.00 0.00 0.00 0.00 23.12 19.29 1aey s ALA 11 CO 0.15 -0.97 1.33 -0.07 0.00 0.00 0.00 175.76 176.20 1aey h LEU 12 N 9.15 0.00 -7.98 0.00 3.38 -0.94 0.91 115.31 119.83 1aey h LEU 12 Ca -0.23 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.59 1aey h LEU 12 Cb 1.09 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.65 1aey h LEU 12 CO 0.95 0.89 -0.63 -0.31 0.09 0.00 0.00 178.44 179.43 1aey s TYR 13 N -2.80 0.26 0.41 1.13 2.02 -1.24 -4.76 117.35 112.38 1aey s TYR 13 Ca 0.01 -0.57 -0.26 0.00 -0.37 0.00 0.00 57.07 55.89 1aey s TYR 13 Cb 0.10 -0.20 -0.09 0.00 -0.40 0.00 0.00 41.96 41.38 1aey s TYR 13 CO 0.80 -0.28 1.32 -0.51 -1.57 0.00 0.00 175.55 175.31 1aey s ASP 14 N -1.87 6.24 -0.16 2.29 1.11 -1.26 -3.76 116.67 119.26 1aey s ASP 14 Ca -0.09 2.68 -0.06 0.00 0.18 0.00 0.00 52.55 55.26 1aey s ASP 14 Cb -0.04 -2.64 0.07 0.00 1.07 0.00 0.00 42.92 41.38 1aey s ASP 14 CO -0.03 -0.90 0.34 -0.47 1.18 0.00 0.00 175.17 175.29 1aey s TYR 15 N -1.26 -0.60 -0.02 4.23 5.04 -0.30 -4.87 117.35 119.57 1aey s TYR 15 Ca 0.58 1.23 -0.21 0.00 -2.44 0.00 0.00 57.07 56.23 1aey s TYR 15 Cb -0.39 0.14 -0.05 0.00 0.35 0.00 0.00 41.96 42.02 1aey s TYR 15 CO 0.49 -0.40 0.62 -1.14 -1.34 0.00 0.00 175.55 173.78 1aey s GLN 16 N 2.38 4.36 0.23 4.97 0.74 -1.26 -0.86 119.66 130.22 1aey s GLN 16 Ca -0.01 0.78 -0.31 0.00 0.05 0.00 0.00 55.36 55.86 1aey s GLN 16 Cb -0.12 -3.37 -0.13 0.00 1.10 0.00 0.00 33.01 30.49 1aey s GLN 16 CO -0.11 0.29 1.41 -0.85 -0.55 0.00 0.00 175.29 175.49 1aey n GLU 17 N 2.99 2.02 0.09 1.67 0.28 -1.26 -4.91 120.64 121.52 1aey n GLU 17 Ca -0.05 0.72 -0.12 0.00 -0.16 0.00 0.00 57.16 57.55 1aey n GLU 17 Cb 0.51 -2.38 -0.11 0.00 1.43 0.00 0.00 31.44 30.88 1aey n GLU 17 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1aey h LYS 18 N 4.29 0.16 -4.73 3.44 1.57 -1.92 -3.47 116.57 115.90 1aey h LYS 18 Ca -0.45 -0.26 -0.34 0.00 -1.87 0.00 0.00 60.65 57.74 1aey h LYS 18 Cb 1.28 0.09 -0.14 0.00 0.08 0.00 0.00 32.23 33.54 1aey h LYS 18 CO 0.76 1.10 -0.57 -1.54 -0.57 0.00 0.00 179.45 178.63 1aey s SER 19 N -6.95 0.83 0.15 0.86 1.04 -1.26 -5.01 113.70 103.35 1aey s SER 19 Ca -0.02 -1.52 0.08 0.00 0.48 0.00 0.00 55.95 54.97 1aey s SER 19 Cb 0.09 0.42 0.45 0.00 0.10 0.00 0.00 66.02 67.08 1aey s SER 19 CO 0.85 -0.91 1.18 -2.65 0.98 0.00 0.00 173.24 172.70 1aey n PRO 20 N -0.42 0.05 0.10 4.02 -0.02 -1.26 -1.30 135.00 136.18 1aey n PRO 20 Ca 0.03 0.50 -0.17 0.00 -2.02 0.00 0.00 63.50 61.85 1aey n PRO 20 Cb 0.65 -1.79 -0.12 0.00 -0.02 0.00 0.00 33.50 32.21 1aey n PRO 20 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1aey h ARG 21 N 0.00 0.35 -7.56 -0.52 3.08 -1.97 -3.45 114.38 104.31 1aey h ARG 21 Ca 0.00 -0.53 -0.47 0.00 0.07 0.00 0.00 59.98 59.05 1aey h ARG 21 Cb 0.23 0.19 0.10 0.00 0.08 0.00 0.00 29.97 30.56 1aey h ARG 21 CO 0.00 1.23 0.39 -1.21 -1.07 0.00 0.00 179.97 179.31 1aey s GLU 22 N -2.80 2.05 0.01 0.04 8.01 -0.42 -1.18 118.70 124.41 1aey s GLU 22 Ca -0.05 0.23 0.00 0.00 0.01 0.00 0.00 54.97 55.17 1aey s GLU 22 Cb 0.07 -1.95 -0.01 0.00 -4.31 0.00 0.00 34.13 27.93 1aey s GLU 22 CO 0.89 -1.56 -0.02 0.54 0.01 0.00 0.00 175.26 175.12 1aey s VAL 23 N -3.47 0.12 0.41 2.63 0.11 -0.47 -4.52 120.40 115.21 1aey s VAL 23 Ca 0.61 -0.47 -0.22 0.00 -2.93 0.00 0.00 61.98 58.98 1aey s VAL 23 Cb -0.12 -0.19 -0.11 0.00 -1.53 0.00 0.00 36.38 34.44 1aey s VAL 23 CO 0.50 -0.22 0.94 -0.89 -3.33 0.00 0.00 175.10 172.11 1aey s THR 24 N -0.70 4.36 0.24 5.04 2.01 -1.26 -4.22 115.64 121.11 1aey s THR 24 Ca -0.07 1.54 -0.10 0.00 0.31 0.00 0.00 61.69 63.37 1aey s THR 24 Cb -0.05 -3.68 -0.01 0.00 0.01 0.00 0.00 72.50 68.77 1aey s THR 24 CO -0.00 -0.23 0.40 0.00 -0.69 0.00 0.00 174.62 174.10 1aey s MET 25 N -2.96 1.47 0.25 4.92 0.23 -0.04 -4.95 119.30 118.23 1aey s MET 25 Ca 0.60 -1.33 0.12 0.00 -1.03 0.00 0.00 55.69 54.04 1aey s MET 25 Cb -0.11 0.43 -0.05 0.00 -1.53 0.00 0.00 34.83 33.57 1aey s MET 25 CO 0.15 -0.59 -0.20 0.15 -2.03 0.00 0.00 175.02 172.50 1aey s LYS 26 N -4.05 1.66 0.46 3.16 1.02 -1.26 -1.15 119.74 119.59 1aey s LYS 26 Ca 0.26 -1.68 -0.24 0.00 0.02 0.00 0.00 55.97 54.33 1aey s LYS 26 Cb 0.01 -1.81 -0.09 0.00 -0.52 0.00 0.00 37.83 35.42 1aey s LYS 26 CO 0.09 0.35 1.19 1.17 -0.92 0.00 0.00 175.35 177.24 1aey n LYS 27 N -0.37 1.64 0.00 1.68 4.81 -1.25 -2.59 118.16 122.08 1aey n LYS 27 Ca -0.07 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 57.96 1aey n LYS 27 Cb 0.59 -2.31 0.00 0.00 0.02 0.00 0.00 35.03 33.32 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 0.94 2.84 3.69 3.14 0.00 0.31 -4.92 105.19 111.19 1aey n GLY 28 Ca 0.09 -0.06 -0.52 0.00 0.00 0.00 0.00 46.02 45.53 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 0.35 2.94 -4.45 1.61 8.00 -1.07 -4.40 116.55 119.53 1aey n ASP 29 Ca 0.00 1.03 -0.43 0.00 0.71 0.00 0.00 54.79 56.10 1aey n ASP 29 Cb 0.00 -1.28 -0.04 0.00 -0.02 0.00 0.00 41.12 39.78 1aey n ASP 29 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1aey s ILE 30 N 3.44 4.36 0.83 0.53 -4.36 -1.26 -0.41 121.20 124.32 1aey s ILE 30 Ca 0.93 -0.45 -0.12 0.00 -0.26 0.00 0.00 60.65 60.75 1aey s ILE 30 Cb -0.84 -4.69 0.10 0.00 1.25 0.00 0.00 42.46 38.27 1aey s ILE 30 CO 0.55 -1.46 1.18 -0.76 0.24 0.00 0.00 174.94 174.70 1aey s LEU 31 N 3.96 2.45 -0.26 0.37 1.43 0.35 -4.84 118.68 122.13 1aey s LEU 31 Ca 0.23 0.77 0.00 0.00 -1.03 0.00 0.00 54.13 54.10 1aey s LEU 31 Cb -0.16 -3.21 0.04 0.00 0.03 0.00 0.00 46.19 42.89 1aey s LEU 31 CO 0.09 -2.05 -0.08 -0.89 0.23 0.00 0.00 176.35 173.65 1aey s THR 32 N -3.56 2.55 0.55 5.49 2.01 -1.01 -2.50 115.64 119.16 1aey s THR 32 Ca 0.63 -1.32 -0.15 0.00 0.31 0.00 0.00 61.69 61.16 1aey s THR 32 Cb -0.11 -2.38 -0.06 0.00 0.01 0.00 0.00 72.50 69.96 1aey s THR 32 CO 0.50 0.09 1.01 -0.22 -0.69 0.00 0.00 174.62 175.30 1aey s LEU 33 N 1.22 3.49 -0.07 4.42 0.20 0.17 -0.19 118.68 127.93 1aey s LEU 33 Ca -0.04 1.55 -0.04 0.00 0.69 0.00 0.00 54.13 56.30 1aey s LEU 33 Cb -0.18 -4.50 -0.03 0.00 -0.43 0.00 0.00 46.19 41.05 1aey s LEU 33 CO -0.05 -0.74 -0.10 -0.11 -0.29 0.00 0.00 176.35 175.06 1aey n LEU 34 N -1.97 0.58 -3.77 -0.68 7.94 0.45 -4.19 117.00 115.36 1aey n LEU 34 Ca 0.07 0.10 -0.13 0.00 -1.11 0.00 0.00 56.01 54.94 1aey n LEU 34 Cb 0.54 -0.24 -0.11 0.00 0.53 0.00 0.00 43.42 44.14 1aey n LEU 34 CO 0.50 0.13 -0.04 0.21 -1.11 0.00 0.00 177.39 177.08 1aey s ASN 35 N -5.72 -0.31 -0.29 1.96 2.47 -0.10 -4.65 114.94 108.29 1aey s ASN 35 Ca -0.11 0.60 0.18 0.00 0.42 0.00 0.00 52.86 53.95 1aey s ASN 35 Cb 0.04 0.60 0.48 0.00 -1.45 0.00 0.00 41.25 40.92 1aey s ASN 35 CO 0.14 -0.11 1.09 -1.54 -3.72 0.00 0.00 177.10 172.96 1aey n SER 36 N 2.99 2.38 0.15 -4.21 3.41 -1.26 -0.89 113.62 116.20 1aey n SER 36 Ca -0.13 -2.62 -0.06 0.00 -0.26 0.00 0.00 58.87 55.79 1aey n SER 36 Cb 0.58 -0.47 -0.03 0.00 -0.26 0.00 0.00 64.21 64.03 1aey n SER 36 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1aey h THR 37 N 4.16 0.00 -3.18 6.66 1.35 -1.98 -3.44 112.91 116.48 1aey h THR 37 Ca -0.01 -0.10 -0.57 0.00 -0.55 0.00 0.00 66.41 65.19 1aey h THR 37 Cb 1.27 0.00 -0.04 0.00 -1.73 0.00 0.00 68.15 67.64 1aey h THR 37 CO 0.41 0.00 0.66 0.20 -0.25 0.00 0.00 175.52 176.54 1aey s ASN 38 N -3.09 7.18 0.14 5.36 -0.87 -1.26 -4.89 114.94 117.50 1aey s ASN 38 Ca -0.06 1.50 0.08 0.00 -1.57 0.00 0.00 52.86 52.81 1aey s ASN 38 Cb 0.01 -2.55 0.43 0.00 -0.02 0.00 0.00 41.25 39.12 1aey s ASN 38 CO 0.18 -0.54 1.19 2.29 -2.57 0.00 0.00 177.10 177.65 1aey n LYS 39 N 5.49 0.05 -0.04 -0.60 0.00 -1.26 -2.12 118.16 119.68 1aey n LYS 39 Ca 0.10 0.51 -0.22 0.00 -0.00 0.00 0.00 58.31 58.71 1aey n LYS 39 Cb 0.48 -1.75 -0.13 0.00 -0.00 0.00 0.00 35.03 33.63 1aey n LYS 39 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1aey h ASP 40 N 0.00 0.22 -2.69 -5.58 3.32 -1.95 -3.41 116.42 106.33 1aey h ASP 40 Ca 0.00 -0.74 -0.25 0.00 0.02 0.00 0.00 57.03 56.06 1aey h ASP 40 Cb 0.16 -0.07 -0.34 0.00 0.22 0.00 0.00 39.33 39.30 1aey h ASP 40 CO 0.00 1.65 -0.57 0.26 -1.72 0.00 0.00 179.24 178.86 1aey s TRP 41 N -2.45 -0.38 0.43 4.55 0.52 -0.90 -1.43 118.94 119.27 1aey s TRP 41 Ca -0.25 0.68 0.02 0.00 0.02 0.00 0.00 56.10 56.57 1aey s TRP 41 Cb 0.06 -0.16 -0.00 0.00 -1.15 0.00 0.00 33.47 32.21 1aey s TRP 41 CO 0.69 -0.46 0.63 -1.58 0.02 0.00 0.00 176.95 176.25 1aey s TRP 42 N 2.39 3.19 -0.04 -1.98 0.51 -0.62 -4.02 118.94 118.37 1aey s TRP 42 Ca 0.04 0.13 0.07 0.00 -2.12 0.00 0.00 56.10 54.22 1aey s TRP 42 Cb -0.14 -2.26 -0.01 0.00 -0.81 0.00 0.00 33.47 30.25 1aey s TRP 42 CO -0.10 -0.30 -0.24 0.21 -0.51 0.00 0.00 176.95 176.01 1aey s LYS 43 N -4.48 2.20 0.03 4.98 2.20 -0.07 -0.71 119.74 123.89 1aey s LYS 43 Ca 0.48 -0.87 -0.01 0.00 -0.36 0.00 0.00 55.97 55.21 1aey s LYS 43 Cb -0.10 -2.00 -0.02 0.00 -1.51 0.00 0.00 37.83 34.20 1aey s LYS 43 CO 0.36 0.45 -0.01 0.14 -0.36 0.00 0.00 175.35 175.93 1aey s VAL 44 N -0.37 0.14 -0.42 4.02 -7.23 -0.01 -0.42 120.40 116.11 1aey s VAL 44 Ca 0.03 -1.14 -0.26 0.00 -1.81 0.00 0.00 61.98 58.81 1aey s VAL 44 Cb -0.11 -0.63 0.02 0.00 0.56 0.00 0.00 36.38 36.22 1aey s VAL 44 CO 0.01 -0.63 0.94 -1.61 -0.31 0.00 0.00 175.10 173.50 1aey s GLU 45 N -2.15 3.68 -0.24 4.82 2.02 0.74 -1.04 118.70 126.53 1aey s GLU 45 Ca -0.09 0.37 0.02 0.00 0.02 0.00 0.00 54.97 55.28 1aey s GLU 45 Cb -0.05 -3.87 0.06 0.00 0.10 0.00 0.00 34.13 30.37 1aey s GLU 45 CO -0.03 -1.11 -0.10 0.54 0.02 0.00 0.00 175.26 174.58 1aey s VAL 46 N 3.67 1.87 0.00 2.63 0.11 -0.05 -2.41 120.40 126.22 1aey s VAL 46 Ca 0.38 -1.37 0.00 0.00 -2.93 0.00 0.00 61.98 58.06 1aey s VAL 46 Cb -0.11 -2.01 0.00 0.00 -1.53 0.00 0.00 36.38 32.73 1aey s VAL 46 CO 0.23 0.01 0.00 -3.20 -3.33 0.00 0.00 175.10 168.81 1aey n ASN 47 N 4.56 0.00 0.00 3.54 5.15 -1.26 -1.59 115.26 125.65 1aey n ASN 47 Ca -0.14 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.84 1aey n ASN 47 Cb 0.44 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.69 1aey n ASN 47 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1aey n ASP 48 N 2.27 0.00 -4.09 1.20 5.75 -1.26 -5.13 116.55 115.29 1aey n ASP 48 Ca 0.00 -0.85 -0.28 0.00 -0.01 0.00 0.00 54.79 53.64 1aey n ASP 48 Cb 0.00 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 39.92 1aey n ASP 48 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1aey s ARG 49 N 0.00 2.31 -1.08 0.11 6.06 -0.62 -5.06 118.95 120.66 1aey s ARG 49 Ca 0.00 -0.61 -0.07 0.00 -2.50 0.00 0.00 55.73 52.55 1aey s ARG 49 Cb 0.00 -1.88 0.28 0.00 0.06 0.00 0.00 34.95 33.41 1aey s ARG 49 CO 0.00 0.02 1.20 1.04 -2.50 0.00 0.00 175.30 175.06 1aey n GLN 50 N 3.94 3.75 -4.36 5.12 3.00 -1.26 -0.87 117.38 126.69 1aey n GLN 50 Ca -0.20 -4.49 -0.18 0.00 -0.01 0.00 0.00 57.00 52.11 1aey n GLN 50 Cb 0.52 -2.52 -0.10 0.00 0.00 0.00 0.00 30.24 28.13 1aey n GLN 50 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1aey s GLY 51 N 0.22 1.84 0.24 1.08 0.00 -0.21 -4.85 107.32 105.64 1aey s GLY 51 Ca 0.31 -1.93 -0.24 0.00 0.00 0.00 0.00 44.72 42.87 1aey s GLY 51 CO -0.03 -1.67 0.82 -1.36 0.00 0.00 0.00 173.10 170.86 1aey s PHE 52 N -3.58 3.75 0.02 1.90 0.08 -0.32 -0.83 117.98 118.99 1aey s PHE 52 Ca 0.37 1.61 0.05 0.00 0.12 0.00 0.00 56.93 59.07 1aey s PHE 52 Cb 0.08 -2.77 -0.02 0.00 -0.57 0.00 0.00 43.02 39.74 1aey s PHE 52 CO 0.14 0.35 -0.14 0.14 -0.10 0.00 0.00 175.22 175.60 1aey s VAL 53 N -1.44 1.14 -0.06 -0.44 -7.23 0.11 -1.37 120.40 111.12 1aey s VAL 53 Ca 0.43 -0.82 -0.31 0.00 -1.81 0.00 0.00 61.98 59.48 1aey s VAL 53 Cb -0.19 -0.99 -0.09 0.00 0.56 0.00 0.00 36.38 35.66 1aey s VAL 53 CO 0.24 0.17 2.01 -2.65 -0.31 0.00 0.00 175.10 174.55 1aey n PRO 54 N 2.30 2.46 0.28 4.82 -0.02 -1.26 -1.58 135.00 142.00 1aey n PRO 54 Ca -0.16 0.86 0.18 0.00 -2.02 0.00 0.00 63.50 62.36 1aey n PRO 54 Cb 0.55 -2.94 0.95 0.00 -0.02 0.00 0.00 33.50 32.04 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 11.16 1.47 -0.93 3.55 0.00 -1.50 -0.46 119.26 132.55 1aey h ALA 55 Ca -0.47 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1aey h ALA 55 Cb 1.25 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 1aey h ALA 55 CO 0.95 -0.15 0.57 0.00 0.00 0.00 0.00 179.25 180.62 1aey h ALA 56 N 1.84 1.25 -0.74 0.00 0.00 -1.78 -3.24 119.26 116.58 1aey h ALA 56 Ca 0.03 -0.10 -0.27 0.00 0.00 0.00 0.00 54.91 54.58 1aey h ALA 56 Cb 0.26 -0.38 -0.16 0.00 0.00 0.00 0.00 17.79 17.51 1aey h ALA 56 CO -0.00 0.65 0.34 0.66 0.00 0.00 0.00 179.25 180.90 1aey n TYR 57 N -4.36 2.41 -4.13 0.00 4.01 -0.18 -4.89 117.16 110.02 1aey n TYR 57 Ca 0.11 -1.27 -0.11 0.00 -0.16 0.00 0.00 57.90 56.47 1aey n TYR 57 Cb 0.05 -0.71 -0.10 0.00 -0.31 0.00 0.00 39.34 38.27 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 -2.82 0.59 -0.16 -0.72 -7.23 -1.23 -0.24 120.40 108.59 1aey s VAL 58 Ca 0.51 -1.67 0.00 0.00 -1.81 0.00 0.00 61.98 59.01 1aey s VAL 58 Cb 0.41 -1.34 0.03 0.00 0.56 0.00 0.00 36.38 36.04 1aey s VAL 58 CO 0.12 -0.74 -0.12 -0.75 -0.31 0.00 0.00 175.10 173.30 1aey s LYS 59 N -3.17 2.07 -0.15 4.82 2.20 0.17 -4.85 119.74 120.83 1aey s LYS 59 Ca 0.05 -0.61 -0.29 0.00 -0.36 0.00 0.00 55.97 54.76 1aey s LYS 59 Cb 0.01 -2.14 -0.02 0.00 -1.51 0.00 0.00 37.83 34.18 1aey s LYS 59 CO -0.04 -0.31 1.32 0.21 -0.36 0.00 0.00 175.35 176.17 1aey s LYS 60 N 1.50 4.22 -0.13 4.03 2.20 -1.26 -0.61 119.74 129.69 1aey s LYS 60 Ca 0.03 1.73 -0.24 0.00 -0.36 0.00 0.00 55.97 57.12 1aey s LYS 60 Cb -0.14 -3.80 -0.22 0.00 -1.51 0.00 0.00 37.83 32.17 1aey s LYS 60 CO -0.09 -0.73 0.67 -0.07 -0.36 0.00 0.00 175.35 174.77 1aey h LEU 61 N 9.81 -0.00 -0.99 5.43 3.38 -1.34 -3.48 115.31 128.11 1aey h LEU 61 Ca -0.28 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 56.87 1aey h LEU 61 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1aey h LEU 61 CO 0.97 0.89 0.00 -0.90 0.09 0.00 0.00 178.44 179.49