#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 -4.14 -1.90 1.61 5.02 -1.26 -5.05 118.16 112.43 1aey n LYS 6 Ca 0.00 3.18 -0.30 0.00 -2.02 0.00 0.00 58.31 59.17 1aey n LYS 6 Cb 0.00 -5.18 0.21 0.00 -0.02 0.00 0.00 35.03 30.04 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 -1.07 0.24 0.06 1.97 8.01 -0.07 -4.78 118.70 123.06 1aey s GLU 7 Ca -0.17 -0.52 0.06 0.00 0.01 0.00 0.00 54.97 54.35 1aey s GLU 7 Cb 0.01 -1.81 -0.03 0.00 -4.31 0.00 0.00 34.13 27.99 1aey s GLU 7 CO 0.79 -2.67 -0.17 -0.51 0.01 0.00 0.00 175.26 172.71 1aey s LEU 8 N -6.02 2.23 0.07 1.80 1.02 -1.26 0.26 118.68 116.78 1aey s LEU 8 Ca 0.77 -0.56 0.01 0.00 0.02 0.00 0.00 54.13 54.37 1aey s LEU 8 Cb -0.02 -0.71 -0.03 0.00 0.02 0.00 0.00 46.19 45.44 1aey s LEU 8 CO 0.54 0.03 -0.06 0.68 0.02 0.00 0.00 176.35 177.56 1aey s VAL 9 N -1.02 0.55 -0.15 -1.59 -7.23 -0.68 -0.73 120.40 109.54 1aey s VAL 9 Ca 0.03 -1.57 -0.08 0.00 -1.81 0.00 0.00 61.98 58.54 1aey s VAL 9 Cb -0.09 -1.22 -0.04 0.00 0.56 0.00 0.00 36.38 35.59 1aey s VAL 9 CO 0.02 -0.70 0.13 -0.22 -0.31 0.00 0.00 175.10 174.02 1aey s LEU 10 N -2.45 4.26 -0.29 1.32 2.96 0.21 -0.79 118.68 123.91 1aey s LEU 10 Ca 0.02 0.34 -0.29 0.00 -0.22 0.00 0.00 54.13 53.99 1aey s LEU 10 Cb -0.00 -2.06 0.01 0.00 0.50 0.00 0.00 46.19 44.64 1aey s LEU 10 CO -0.03 0.30 1.09 0.00 -1.32 0.00 0.00 176.35 176.39 1aey s ALA 11 N -0.39 3.54 0.12 5.97 0.00 0.21 -1.40 121.76 129.81 1aey s ALA 11 Ca 0.11 0.02 0.06 0.00 0.00 0.00 0.00 51.96 52.16 1aey s ALA 11 Cb -0.12 -3.65 -0.19 0.00 0.00 0.00 0.00 23.12 19.16 1aey s ALA 11 CO 0.01 -1.40 1.28 -0.07 0.00 0.00 0.00 175.76 175.59 1aey h LEU 12 N 9.99 0.03 -8.34 0.00 3.38 -1.07 0.94 115.31 120.24 1aey h LEU 12 Ca -0.21 -0.04 -0.25 0.00 0.09 0.00 0.00 57.88 57.48 1aey h LEU 12 Cb 1.06 -0.01 -0.17 0.00 0.09 0.00 0.00 40.66 41.63 1aey h LEU 12 CO 1.02 1.01 -0.71 -0.31 0.09 0.00 0.00 178.44 179.54 1aey s TYR 13 N -2.75 0.82 0.27 1.13 2.02 -1.24 -4.78 117.35 112.83 1aey s TYR 13 Ca 0.01 -0.75 -0.29 0.00 -0.37 0.00 0.00 57.07 55.67 1aey s TYR 13 Cb 0.10 -0.48 -0.10 0.00 -0.40 0.00 0.00 41.96 41.08 1aey s TYR 13 CO 0.82 -0.12 1.31 -0.51 -1.57 0.00 0.00 175.55 175.49 1aey s ASP 14 N -2.47 6.83 -0.09 2.29 1.01 -1.26 -3.95 116.67 119.04 1aey s ASP 14 Ca 0.03 2.56 -0.05 0.00 0.71 0.00 0.00 52.55 55.80 1aey s ASP 14 Cb -0.01 -2.63 0.04 0.00 1.01 0.00 0.00 42.92 41.33 1aey s ASP 14 CO -0.03 -0.53 0.21 -0.47 0.21 0.00 0.00 175.17 174.56 1aey s TYR 15 N -0.55 -0.26 -0.21 4.23 5.04 -0.30 -4.89 117.35 120.41 1aey s TYR 15 Ca 0.53 0.64 -0.05 0.00 -2.44 0.00 0.00 57.07 55.74 1aey s TYR 15 Cb -0.38 0.02 -0.02 0.00 0.35 0.00 0.00 41.96 41.93 1aey s TYR 15 CO 0.46 -0.18 0.01 -1.14 -1.34 0.00 0.00 175.55 173.35 1aey s GLN 16 N 0.89 3.57 0.05 4.97 0.74 -1.26 -0.83 119.66 127.80 1aey s GLN 16 Ca -0.06 -0.53 -0.36 0.00 0.05 0.00 0.00 55.36 54.45 1aey s GLN 16 Cb -0.08 -3.12 -0.19 0.00 1.10 0.00 0.00 33.01 30.73 1aey s GLN 16 CO -0.05 -0.07 0.91 -0.85 -0.55 0.00 0.00 175.29 174.67 1aey n GLU 17 N 4.50 0.00 -0.10 1.67 0.28 -1.24 -4.91 120.64 120.84 1aey n GLU 17 Ca -0.17 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.69 1aey n GLU 17 Cb 0.51 -1.34 -0.14 0.00 1.43 0.00 0.00 31.44 31.90 1aey n GLU 17 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1aey n LYS 18 N 1.34 0.67 -4.28 3.44 4.76 -1.26 -4.97 118.16 117.86 1aey n LYS 18 Ca 0.19 0.10 -0.23 0.00 -2.87 0.00 0.00 58.31 55.50 1aey n LYS 18 Cb 0.12 -1.55 -0.07 0.00 -1.84 0.00 0.00 35.03 31.70 1aey n LYS 18 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1aey s SER 19 N -6.10 4.59 0.52 4.39 1.04 -1.26 -5.03 113.70 111.85 1aey s SER 19 Ca -0.22 -0.64 0.30 0.00 0.48 0.00 0.00 55.95 55.87 1aey s SER 19 Cb 0.08 -0.86 1.44 0.00 0.10 0.00 0.00 66.02 66.78 1aey s SER 19 CO 0.72 -0.02 1.88 -0.65 0.98 0.00 0.00 173.24 176.15 1aey h PRO 20 N 1.85 0.05 0.00 4.02 0.11 -2.03 -0.75 132.00 135.24 1aey h PRO 20 Ca -0.44 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1aey h PRO 20 Cb 1.25 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1aey h PRO 20 CO 0.61 0.03 -0.10 0.07 -0.21 0.00 0.00 178.00 178.40 1aey h ARG 21 N 0.05 0.00 -7.41 1.05 0.11 -1.98 -3.45 114.38 102.75 1aey h ARG 21 Ca 0.44 0.00 -0.50 0.00 0.10 0.00 0.00 59.98 60.02 1aey h ARG 21 Cb 1.68 0.00 0.07 0.00 1.11 0.00 0.00 29.97 32.83 1aey h ARG 21 CO -0.03 0.10 0.41 -1.21 0.10 0.00 0.00 179.97 179.34 1aey s GLU 22 N -3.21 3.21 0.14 0.08 2.02 -0.29 -0.89 118.70 119.76 1aey s GLU 22 Ca 0.06 0.62 0.08 0.00 0.02 0.00 0.00 54.97 55.75 1aey s GLU 22 Cb 0.06 -2.05 -0.04 0.00 0.10 0.00 0.00 34.13 32.20 1aey s GLU 22 CO 0.67 -0.82 -0.18 0.54 0.02 0.00 0.00 175.26 175.49 1aey s VAL 23 N -3.26 1.69 0.27 2.63 0.11 -0.01 -4.52 120.40 117.32 1aey s VAL 23 Ca 0.57 -1.79 -0.14 0.00 -2.93 0.00 0.00 61.98 57.69 1aey s VAL 23 Cb -0.11 -1.71 -0.08 0.00 -1.53 0.00 0.00 36.38 32.94 1aey s VAL 23 CO 0.53 -0.28 0.66 -0.89 -3.33 0.00 0.00 175.10 171.79 1aey s THR 24 N -1.87 4.76 -0.01 5.04 2.01 -1.26 -3.67 115.64 120.64 1aey s THR 24 Ca 0.12 0.81 -0.10 0.00 0.31 0.00 0.00 61.69 62.83 1aey s THR 24 Cb -0.07 -3.64 0.01 0.00 0.01 0.00 0.00 72.50 68.82 1aey s THR 24 CO 0.05 -0.09 0.21 0.00 -0.69 0.00 0.00 174.62 174.10 1aey s MET 25 N -2.79 0.54 0.14 4.92 0.23 -0.01 -4.94 119.30 117.38 1aey s MET 25 Ca 0.50 -0.27 -0.02 0.00 -1.03 0.00 0.00 55.69 54.87 1aey s MET 25 Cb -0.11 0.23 -0.05 0.00 -1.53 0.00 0.00 34.83 33.37 1aey s MET 25 CO 0.19 -0.14 0.33 0.21 -2.03 0.00 0.00 175.02 173.59 1aey s LYS 26 N -1.26 3.54 0.36 3.16 2.20 -1.26 -1.15 119.74 125.32 1aey s LYS 26 Ca -0.13 -0.27 -0.26 0.00 -0.36 0.00 0.00 55.97 54.94 1aey s LYS 26 Cb -0.06 -2.90 -0.12 0.00 -1.51 0.00 0.00 37.83 33.23 1aey s LYS 26 CO 0.03 0.49 1.06 1.17 -0.36 0.00 0.00 175.35 177.73 1aey n LYS 27 N -0.08 1.49 0.00 4.03 4.81 -1.25 -1.95 118.16 125.21 1aey n LYS 27 Ca -0.04 0.53 0.00 0.00 -0.87 0.00 0.00 58.31 57.93 1aey n LYS 27 Cb 0.52 -2.01 0.00 0.00 0.02 0.00 0.00 35.03 33.56 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 1.13 2.57 3.76 3.14 0.00 0.32 -4.94 105.19 111.17 1aey n GLY 28 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1aey n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1aey s ASP 29 N -3.00 5.97 -0.19 1.61 1.01 -0.82 -4.64 116.67 116.60 1aey s ASP 29 Ca 0.00 2.74 -0.12 0.00 0.71 0.00 0.00 52.55 55.87 1aey s ASP 29 Cb 0.00 -2.64 -0.05 0.00 1.01 0.00 0.00 42.92 41.24 1aey s ASP 29 CO 0.00 -1.09 0.23 0.27 0.21 0.00 0.00 175.17 174.79 1aey s ILE 30 N -1.27 5.33 0.22 0.77 -4.36 -1.26 -0.62 121.20 120.01 1aey s ILE 30 Ca 0.61 0.40 0.07 0.00 -0.26 0.00 0.00 60.65 61.47 1aey s ILE 30 Cb -0.40 -3.57 -0.05 0.00 1.25 0.00 0.00 42.46 39.69 1aey s ILE 30 CO 0.50 0.38 -0.11 -0.76 0.24 0.00 0.00 174.94 175.20 1aey s LEU 31 N 0.61 2.50 -0.45 0.37 1.43 0.03 -4.99 118.68 118.19 1aey s LEU 31 Ca 0.13 -1.08 -0.09 0.00 -1.03 0.00 0.00 54.13 52.06 1aey s LEU 31 Cb -0.13 -0.59 0.11 0.00 0.03 0.00 0.00 46.19 45.61 1aey s LEU 31 CO 0.03 -0.26 0.31 -0.89 0.23 0.00 0.00 176.35 175.77 1aey s THR 32 N -3.06 4.18 -0.20 5.49 2.01 -0.64 -1.69 115.64 121.73 1aey s THR 32 Ca 0.24 -1.68 -0.29 0.00 0.31 0.00 0.00 61.69 60.27 1aey s THR 32 Cb 0.01 -3.70 0.00 0.00 0.01 0.00 0.00 72.50 68.83 1aey s THR 32 CO 0.07 -0.69 1.08 -0.22 -0.69 0.00 0.00 174.62 174.17 1aey s LEU 33 N 1.37 4.13 -0.22 4.42 2.96 0.14 -0.19 118.68 131.30 1aey s LEU 33 Ca 0.05 1.46 -0.05 0.00 -0.22 0.00 0.00 54.13 55.37 1aey s LEU 33 Cb -0.25 -3.54 -0.19 0.00 0.50 0.00 0.00 46.19 42.71 1aey s LEU 33 CO -0.00 -0.66 -0.03 -0.11 -1.32 0.00 0.00 176.35 174.22 1aey n LEU 34 N 6.22 2.63 -3.71 -0.68 7.94 0.55 -0.89 117.00 129.06 1aey n LEU 34 Ca 0.12 0.09 -0.28 0.00 -1.11 0.00 0.00 56.01 54.82 1aey n LEU 34 Cb 0.46 -0.97 -0.16 0.00 0.53 0.00 0.00 43.42 43.28 1aey n LEU 34 CO 0.53 0.80 -0.35 0.21 -1.11 0.00 0.00 177.39 177.47 1aey s ASN 35 N -6.85 3.16 0.00 1.96 2.47 -0.27 -4.78 114.94 110.63 1aey s ASN 35 Ca -0.31 -1.01 0.24 0.00 0.42 0.00 0.00 52.86 52.20 1aey s ASN 35 Cb 0.09 -0.61 0.39 0.00 -1.45 0.00 0.00 41.25 39.66 1aey s ASN 35 CO 0.63 -0.34 1.33 -1.54 -3.72 0.00 0.00 177.10 173.46 1aey n SER 36 N 5.04 0.68 -0.32 -4.21 3.41 -1.26 -2.39 113.62 114.56 1aey n SER 36 Ca -0.07 -0.48 0.02 0.00 -0.26 0.00 0.00 58.87 58.08 1aey n SER 36 Cb 0.46 0.38 0.16 0.00 -0.26 0.00 0.00 64.21 64.95 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 0.18 1.00 -4.06 6.66 2.02 -1.94 -3.43 112.91 113.35 1aey h THR 37 Ca 0.00 -0.33 -0.45 0.00 0.77 0.00 0.00 66.41 66.41 1aey h THR 37 Cb 0.51 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1aey h THR 37 CO 0.00 0.17 0.35 0.20 0.37 0.00 0.00 175.52 176.61 1aey s ASN 38 N -5.74 6.85 -0.03 4.18 -0.87 -1.26 -4.97 114.94 113.09 1aey s ASN 38 Ca -0.12 1.74 -0.25 0.00 -1.57 0.00 0.00 52.86 52.66 1aey s ASN 38 Cb 0.19 -2.54 -0.19 0.00 -0.02 0.00 0.00 41.25 38.69 1aey s ASN 38 CO 0.79 -0.42 1.13 0.50 -2.57 0.00 0.00 177.10 176.53 1aey h LYS 39 N 1.89 -0.12 0.00 -0.60 3.64 -1.99 -3.42 116.57 115.98 1aey h LYS 39 Ca -0.49 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 58.86 1aey h LYS 39 Cb 1.19 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 1aey h LYS 39 CO 0.61 0.36 -0.40 -0.44 -2.27 0.00 0.00 179.45 177.30 1aey h ASP 40 N -0.65 0.00 -3.27 4.20 5.19 -1.96 -3.43 116.42 116.50 1aey h ASP 40 Ca -0.01 -0.19 -0.66 0.00 -0.62 0.00 0.00 57.03 55.54 1aey h ASP 40 Cb 0.52 0.00 -0.30 0.00 0.18 0.00 0.00 39.33 39.73 1aey h ASP 40 CO 0.02 0.81 -0.80 0.26 -3.12 0.00 0.00 179.24 176.41 1aey s TRP 41 N -2.03 2.79 -0.06 4.55 0.52 -1.26 -0.68 118.94 122.77 1aey s TRP 41 Ca -0.13 -1.07 -0.07 0.00 0.02 0.00 0.00 56.10 54.86 1aey s TRP 41 Cb 0.01 -1.90 -0.04 0.00 -1.15 0.00 0.00 33.47 30.39 1aey s TRP 41 CO 0.26 -0.50 0.20 -1.58 0.02 0.00 0.00 176.95 175.35 1aey s TRP 42 N 0.88 3.60 -0.08 -1.98 0.51 -0.56 -4.54 118.94 116.76 1aey s TRP 42 Ca -0.04 0.55 -0.18 0.00 -2.12 0.00 0.00 56.10 54.30 1aey s TRP 42 Cb -0.15 -1.96 -0.05 0.00 -0.81 0.00 0.00 33.47 30.50 1aey s TRP 42 CO -0.01 0.69 0.50 0.21 -0.51 0.00 0.00 176.95 177.83 1aey s LYS 43 N -1.34 4.30 0.06 4.98 2.20 -1.01 -0.67 119.74 128.26 1aey s LYS 43 Ca 0.20 0.52 0.05 0.00 -0.36 0.00 0.00 55.97 56.38 1aey s LYS 43 Cb -0.13 -3.40 -0.03 0.00 -1.51 0.00 0.00 37.83 32.77 1aey s LYS 43 CO 0.10 0.24 -0.13 0.14 -0.36 0.00 0.00 175.35 175.34 1aey s VAL 44 N 0.32 1.05 -0.24 4.02 -7.23 -0.02 -0.33 120.40 117.97 1aey s VAL 44 Ca 0.27 -1.20 -0.27 0.00 -1.81 0.00 0.00 61.98 58.97 1aey s VAL 44 Cb -0.16 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 35.78 1aey s VAL 44 CO 0.12 -0.19 0.95 -0.70 -0.31 0.00 0.00 175.10 174.98 1aey s GLU 45 N -1.57 4.21 -0.20 4.82 2.12 0.74 -1.03 118.70 127.79 1aey s GLU 45 Ca -0.02 1.16 -0.02 0.00 0.36 0.00 0.00 54.97 56.45 1aey s GLU 45 Cb -0.09 -3.65 0.06 0.00 0.26 0.00 0.00 34.13 30.71 1aey s GLU 45 CO 0.02 -0.60 0.02 0.54 -0.54 0.00 0.00 175.26 174.70 1aey s VAL 46 N 3.07 0.67 0.00 3.70 0.11 -0.13 -1.62 120.40 126.20 1aey s VAL 46 Ca 0.40 -0.66 0.00 0.00 -2.93 0.00 0.00 61.98 58.79 1aey s VAL 46 Cb -0.15 -1.15 0.00 0.00 -1.53 0.00 0.00 36.38 33.55 1aey s VAL 46 CO 0.07 -0.20 0.00 -3.20 -3.33 0.00 0.00 175.10 168.44 1aey n ASN 47 N 4.99 0.00 0.00 3.54 5.15 -1.26 -1.69 115.26 125.99 1aey n ASN 47 Ca -0.09 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.89 1aey n ASN 47 Cb 0.47 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.72 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 2.57 1.19 -4.64 1.20 5.75 -1.26 -5.02 116.55 116.34 1aey n ASP 48 Ca 0.00 -0.17 -0.42 0.00 -0.01 0.00 0.00 54.79 54.20 1aey n ASP 48 Cb 0.00 0.57 -0.04 0.00 -1.03 0.00 0.00 41.12 40.62 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 -0.81 4.15 -0.71 0.11 1.81 -0.68 -5.02 118.95 117.80 1aey s ARG 49 Ca 0.00 0.89 -0.16 0.00 -1.72 0.00 0.00 55.73 54.74 1aey s ARG 49 Cb 0.00 -3.66 0.17 0.00 -0.45 0.00 0.00 34.95 31.01 1aey s ARG 49 CO 0.00 -0.55 0.70 -0.65 -0.68 0.00 0.00 175.30 174.11 1aey s GLN 50 N 2.89 3.32 0.27 3.54 -0.21 -1.26 -0.95 119.66 127.26 1aey s GLN 50 Ca 0.35 -2.00 -0.05 0.00 0.02 0.00 0.00 55.36 53.68 1aey s GLN 50 Cb -0.15 -4.40 -0.01 0.00 1.00 0.00 0.00 33.01 29.44 1aey s GLN 50 CO 0.08 -1.38 0.36 0.20 -2.12 0.00 0.00 175.29 172.44 1aey s GLY 51 N 2.95 1.24 0.30 3.09 0.00 -0.20 -4.89 107.32 109.82 1aey s GLY 51 Ca 0.13 -1.41 -0.27 0.00 0.00 0.00 0.00 44.72 43.17 1aey s GLY 51 CO -0.03 -1.03 0.95 -1.36 0.00 0.00 0.00 173.10 171.63 1aey s PHE 52 N -3.71 3.76 0.09 1.90 0.08 -0.07 -0.84 117.98 119.19 1aey s PHE 52 Ca 0.31 1.82 0.09 0.00 0.12 0.00 0.00 56.93 59.27 1aey s PHE 52 Cb 0.02 -2.95 -0.03 0.00 -0.57 0.00 0.00 43.02 39.49 1aey s PHE 52 CO 0.15 0.25 -0.23 0.14 -0.10 0.00 0.00 175.22 175.43 1aey s VAL 53 N -1.50 1.87 -0.12 -0.44 -7.23 0.16 -0.83 120.40 112.31 1aey s VAL 53 Ca 0.48 -1.50 -0.34 0.00 -1.81 0.00 0.00 61.98 58.81 1aey s VAL 53 Cb -0.21 -1.66 -0.11 0.00 0.56 0.00 0.00 36.38 34.96 1aey s VAL 53 CO 0.26 0.08 1.94 -2.65 -0.31 0.00 0.00 175.10 174.42 1aey n PRO 54 N 1.29 2.08 0.14 4.82 -0.02 -1.26 -1.50 135.00 140.55 1aey n PRO 54 Ca -0.18 0.74 0.17 0.00 -2.02 0.00 0.00 63.50 62.21 1aey n PRO 54 Cb 0.53 -2.69 0.76 0.00 -0.02 0.00 0.00 33.50 32.09 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 10.02 2.05 -0.71 3.55 0.00 -1.16 -0.89 119.26 132.12 1aey h ALA 55 Ca -0.46 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.52 1aey h ALA 55 Cb 1.27 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 1aey h ALA 55 CO 0.96 -0.41 0.37 0.00 0.00 0.00 0.00 179.25 180.18 1aey h ALA 56 N 1.75 0.97 -0.65 0.00 0.00 -1.86 -3.15 119.26 116.33 1aey h ALA 56 Ca 0.14 0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.81 1aey h ALA 56 Cb 0.65 -0.08 -0.16 0.00 0.00 0.00 0.00 17.79 18.19 1aey h ALA 56 CO -0.00 0.01 0.35 0.66 0.00 0.00 0.00 179.25 180.26 1aey n TYR 57 N -4.82 2.06 -4.03 0.00 4.01 -0.34 -4.86 117.16 109.18 1aey n TYR 57 Ca 0.10 -1.22 -0.12 0.00 -0.16 0.00 0.00 57.90 56.51 1aey n TYR 57 Cb 0.24 -0.66 -0.11 0.00 -0.31 0.00 0.00 39.34 38.49 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 -2.39 0.38 -0.06 -0.72 -7.23 -1.19 -0.40 120.40 108.79 1aey s VAL 58 Ca 0.41 -1.01 0.03 0.00 -1.81 0.00 0.00 61.98 59.61 1aey s VAL 58 Cb 0.34 -0.47 0.00 0.00 0.56 0.00 0.00 36.38 36.81 1aey s VAL 58 CO 0.09 -0.42 -0.15 -0.75 -0.31 0.00 0.00 175.10 173.56 1aey s LYS 59 N -1.52 1.78 0.12 4.82 2.36 -0.49 -4.89 119.74 121.92 1aey s LYS 59 Ca -0.12 -0.53 -0.31 0.00 -2.55 0.00 0.00 55.97 52.46 1aey s LYS 59 Cb -0.10 -1.50 -0.09 0.00 -1.05 0.00 0.00 37.83 35.09 1aey s LYS 59 CO -0.00 0.14 1.59 0.15 1.55 0.00 0.00 175.35 178.77 1aey s LYS 60 N 0.33 4.22 -0.43 4.03 -0.14 -1.26 -0.62 119.74 125.86 1aey s LYS 60 Ca -0.09 2.32 -0.01 0.00 -1.36 0.00 0.00 55.97 56.83 1aey s LYS 60 Cb -0.13 -3.34 0.32 0.00 -1.68 0.00 0.00 37.83 32.99 1aey s LYS 60 CO 0.03 -0.64 1.98 1.28 -0.76 0.00 0.00 175.35 177.24 1aey n LEU 61 N 4.62 6.76 0.00 3.17 4.77 0.09 -4.87 117.00 131.55 1aey n LEU 61 Ca 0.14 -3.57 0.00 0.00 -0.03 0.00 0.00 56.01 52.55 1aey n LEU 61 Cb 0.40 -0.99 0.00 0.00 -2.33 0.00 0.00 43.42 40.49 1aey n LEU 61 CO 0.62 1.26 0.18 0.47 -1.33 0.00 0.00 177.39 178.58