#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 4.77 -2.71 1.61 4.76 -1.26 -3.23 118.16 122.09 1aey n LYS 6 Ca 0.00 -3.93 -0.38 0.00 -2.87 0.00 0.00 58.31 51.13 1aey n LYS 6 Cb 0.00 -2.52 -0.06 0.00 -1.84 0.00 0.00 35.03 30.62 1aey n LYS 6 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1aey s GLU 7 N -2.73 4.56 0.12 1.97 8.01 -1.26 -4.57 118.70 124.79 1aey s GLU 7 Ca 0.48 1.42 -0.30 0.00 0.01 0.00 0.00 54.97 56.57 1aey s GLU 7 Cb 0.21 -2.85 -0.06 0.00 -4.31 0.00 0.00 34.13 27.12 1aey s GLU 7 CO -0.13 0.24 0.96 -0.51 0.01 0.00 0.00 175.26 175.83 1aey s LEU 8 N -1.99 4.50 -0.00 1.80 1.43 -1.26 -0.41 118.68 122.75 1aey s LEU 8 Ca 0.50 1.80 0.01 0.00 -1.03 0.00 0.00 54.13 55.41 1aey s LEU 8 Cb -0.21 -3.59 -0.00 0.00 0.03 0.00 0.00 46.19 42.42 1aey s LEU 8 CO 0.27 -0.06 -0.04 0.68 0.23 0.00 0.00 176.35 177.43 1aey s VAL 9 N -0.05 0.30 -0.05 -1.59 -7.23 -1.00 -1.18 120.40 109.61 1aey s VAL 9 Ca 0.47 -0.15 -0.22 0.00 -1.81 0.00 0.00 61.98 60.26 1aey s VAL 9 Cb -0.24 -0.26 -0.04 0.00 0.56 0.00 0.00 36.38 36.40 1aey s VAL 9 CO 0.30 0.09 0.66 -0.22 -0.31 0.00 0.00 175.10 175.62 1aey s LEU 10 N -0.03 4.35 -0.33 1.32 2.96 0.47 -0.07 118.68 127.34 1aey s LEU 10 Ca 0.01 1.17 -0.29 0.00 -0.22 0.00 0.00 54.13 54.80 1aey s LEU 10 Cb -0.02 -3.02 0.02 0.00 0.50 0.00 0.00 46.19 43.66 1aey s LEU 10 CO -0.00 -0.04 1.10 0.00 -1.32 0.00 0.00 176.35 176.09 1aey s ALA 11 N 0.49 3.45 -0.05 5.97 0.00 0.16 -1.76 121.76 130.02 1aey s ALA 11 Ca 0.35 -0.08 0.12 0.00 0.00 0.00 0.00 51.96 52.35 1aey s ALA 11 Cb -0.18 -3.71 -0.05 0.00 0.00 0.00 0.00 23.12 19.19 1aey s ALA 11 CO 0.18 -1.59 1.36 -0.07 0.00 0.00 0.00 175.76 175.64 1aey h LEU 12 N 10.26 0.00 -8.23 0.00 3.38 -1.06 0.73 115.31 120.40 1aey h LEU 12 Ca -0.21 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 -0.16 0.00 0.09 0.00 0.00 40.66 41.66 1aey h LEU 12 CO 1.04 0.69 -0.69 -0.31 0.09 0.00 0.00 178.44 179.27 1aey s TYR 13 N -2.86 0.53 -1.24 1.13 2.02 -1.25 -4.80 117.35 110.87 1aey s TYR 13 Ca 0.03 -0.98 -0.17 0.00 -0.37 0.00 0.00 57.07 55.57 1aey s TYR 13 Cb 0.08 -0.38 0.10 0.00 -0.40 0.00 0.00 41.96 41.36 1aey s TYR 13 CO 0.78 -0.33 1.62 -0.51 -1.57 0.00 0.00 175.55 175.54 1aey s ASP 14 N -2.74 6.86 -0.29 2.29 1.01 -1.26 -3.38 116.67 119.17 1aey s ASP 14 Ca 0.05 -2.49 -0.20 0.00 0.71 0.00 0.00 52.55 50.62 1aey s ASP 14 Cb 0.05 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.44 1aey s ASP 14 CO -0.08 -1.09 0.59 -0.47 0.21 0.00 0.00 175.17 174.33 1aey s TYR 15 N 3.58 3.24 -0.04 4.23 5.04 -0.37 -4.91 117.35 128.13 1aey s TYR 15 Ca 0.50 0.62 -0.19 0.00 -2.44 0.00 0.00 57.07 55.56 1aey s TYR 15 Cb 0.02 -2.89 -0.05 0.00 0.35 0.00 0.00 41.96 39.39 1aey s TYR 15 CO 0.04 -0.40 0.54 1.14 -1.34 0.00 0.00 175.55 175.53 1aey s GLN 16 N 2.50 4.27 0.41 4.97 -2.07 -1.26 -1.01 119.66 127.46 1aey s GLN 16 Ca 0.24 0.61 -0.25 0.00 -1.82 0.00 0.00 55.36 54.14 1aey s GLN 16 Cb -0.15 -3.36 -0.11 0.00 -1.09 0.00 0.00 33.01 28.30 1aey s GLN 16 CO 0.10 0.34 1.10 -0.85 -1.32 0.00 0.00 175.29 174.66 1aey n GLU 17 N 2.92 1.54 -0.00 9.60 0.28 -1.26 -4.90 120.64 128.83 1aey n GLU 17 Ca -0.08 0.55 -0.17 0.00 -0.16 0.00 0.00 57.16 57.30 1aey n GLU 17 Cb 0.51 -2.14 -0.14 0.00 1.43 0.00 0.00 31.44 31.11 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 1.77 0.19 -4.87 3.44 1.63 -1.92 -3.48 116.57 113.32 1aey h LYS 18 Ca -0.45 -0.30 -0.32 0.00 -0.85 0.00 0.00 60.65 58.73 1aey h LYS 18 Cb 1.32 0.11 -0.15 0.00 -0.60 0.00 0.00 32.23 32.92 1aey h LYS 18 CO 0.58 1.12 -0.65 -1.54 -3.45 0.00 0.00 179.45 175.51 1aey s SER 19 N -6.64 1.32 0.64 4.20 1.04 -1.26 -5.02 113.70 107.98 1aey s SER 19 Ca -0.16 -1.22 0.26 0.00 0.48 0.00 0.00 55.95 55.32 1aey s SER 19 Cb -0.00 0.11 1.40 0.00 0.10 0.00 0.00 66.02 67.62 1aey s SER 19 CO 0.77 -0.59 1.80 -0.65 0.98 0.00 0.00 173.24 175.56 1aey h PRO 20 N 2.60 0.00 0.13 4.02 0.11 -2.03 0.12 132.00 136.94 1aey h PRO 20 Ca -0.37 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.46 1aey h PRO 20 Cb 1.22 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.34 1aey h PRO 20 CO 0.63 0.00 -1.23 -0.09 -0.21 0.00 0.00 178.00 177.10 1aey h ARG 21 N 0.00 0.34 -7.38 1.05 2.43 -1.96 -3.43 114.38 105.43 1aey h ARG 21 Ca 0.08 -0.54 -0.51 0.00 -0.81 0.00 0.00 59.98 58.20 1aey h ARG 21 Cb 1.02 0.19 0.07 0.00 -0.42 0.00 0.00 29.97 30.83 1aey h ARG 21 CO -0.00 1.24 0.41 -1.21 -1.51 0.00 0.00 179.97 178.89 1aey s GLU 22 N -2.76 3.27 0.01 0.20 8.01 0.03 -1.51 118.70 125.96 1aey s GLU 22 Ca -0.05 0.72 0.01 0.00 0.01 0.00 0.00 54.97 55.66 1aey s GLU 22 Cb 0.07 -2.05 -0.01 0.00 -4.31 0.00 0.00 34.13 27.83 1aey s GLU 22 CO 0.89 -0.80 -0.05 0.14 0.01 0.00 0.00 175.26 175.46 1aey s VAL 23 N -3.19 0.33 0.38 2.63 -7.23 -0.55 -4.67 120.40 108.11 1aey s VAL 23 Ca 0.56 -0.52 -0.24 0.00 -1.81 0.00 0.00 61.98 59.97 1aey s VAL 23 Cb -0.12 -0.35 -0.10 0.00 0.56 0.00 0.00 36.38 36.37 1aey s VAL 23 CO 0.54 -0.13 0.96 -0.89 -0.31 0.00 0.00 175.10 175.27 1aey s THR 24 N -0.64 4.20 -0.01 5.32 2.01 -1.26 -4.30 115.64 120.95 1aey s THR 24 Ca -0.04 1.61 -0.06 0.00 0.31 0.00 0.00 61.69 63.51 1aey s THR 24 Cb -0.05 -3.80 0.00 0.00 0.01 0.00 0.00 72.50 68.66 1aey s THR 24 CO -0.00 -0.06 0.13 0.00 -0.69 0.00 0.00 174.62 174.00 1aey s MET 25 N -2.56 0.39 0.20 4.92 0.23 -0.18 -4.93 119.30 117.36 1aey s MET 25 Ca 0.56 -0.26 -0.06 0.00 -1.03 0.00 0.00 55.69 54.90 1aey s MET 25 Cb -0.15 0.16 -0.06 0.00 -1.53 0.00 0.00 34.83 33.25 1aey s MET 25 CO 0.20 -0.09 0.46 0.15 -2.03 0.00 0.00 175.02 173.72 1aey s LYS 26 N -1.01 3.67 0.15 3.16 1.02 -1.26 -1.23 119.74 124.23 1aey s LYS 26 Ca -0.11 0.02 -0.32 0.00 0.02 0.00 0.00 55.97 55.59 1aey s LYS 26 Cb -0.06 -2.75 -0.11 0.00 -0.52 0.00 0.00 37.83 34.38 1aey s LYS 26 CO 0.01 0.37 1.79 1.17 -0.92 0.00 0.00 175.35 177.77 1aey n LYS 27 N -0.20 2.72 0.00 1.68 4.81 -1.22 -1.83 118.16 124.11 1aey n LYS 27 Ca -0.01 0.99 0.00 0.00 -0.87 0.00 0.00 58.31 58.41 1aey n LYS 27 Cb 0.52 -2.86 0.00 0.00 0.02 0.00 0.00 35.03 32.72 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 4.10 2.92 3.70 3.14 0.00 0.25 -4.95 105.19 114.35 1aey n GLY 28 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 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 3.33 -4.42 1.61 8.00 -0.76 -4.62 116.55 119.69 1aey n ASP 29 Ca 0.00 1.13 -0.44 0.00 0.71 0.00 0.00 54.79 56.18 1aey n ASP 29 Cb 0.00 -1.50 -0.03 0.00 -0.02 0.00 0.00 41.12 39.56 1aey n ASP 29 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1aey s ILE 30 N 0.25 4.71 0.94 0.53 -1.09 -1.26 -0.66 121.20 124.62 1aey s ILE 30 Ca 0.69 -1.15 -0.15 0.00 -2.23 0.00 0.00 60.65 57.81 1aey s ILE 30 Cb -0.58 -4.65 0.18 0.00 -1.58 0.00 0.00 42.46 35.83 1aey s ILE 30 CO 0.45 -1.35 1.28 -0.76 -1.23 0.00 0.00 174.94 173.34 1aey s LEU 31 N 2.86 2.56 -0.09 2.97 1.43 0.90 -4.86 118.68 124.46 1aey s LEU 31 Ca 0.22 0.40 0.01 0.00 -1.03 0.00 0.00 54.13 53.73 1aey s LEU 31 Cb -0.14 -2.52 0.02 0.00 0.03 0.00 0.00 46.19 43.58 1aey s LEU 31 CO 0.01 -2.64 -0.09 -0.89 0.23 0.00 0.00 176.35 172.96 1aey s THR 32 N -3.78 1.04 0.88 5.49 2.01 -1.25 -2.37 115.64 117.66 1aey s THR 32 Ca 0.71 -0.36 -0.13 0.00 0.31 0.00 0.00 61.69 62.22 1aey s THR 32 Cb -0.06 -1.01 0.13 0.00 0.01 0.00 0.00 72.50 71.57 1aey s THR 32 CO 0.52 0.35 1.22 -0.22 -0.69 0.00 0.00 174.62 175.81 1aey s LEU 33 N 1.24 2.47 0.00 4.42 2.96 0.45 0.15 118.68 130.37 1aey s LEU 33 Ca -0.04 0.63 0.00 0.00 -0.22 0.00 0.00 54.13 54.50 1aey s LEU 33 Cb -0.14 -2.94 0.00 0.00 0.50 0.00 0.00 46.19 43.61 1aey s LEU 33 CO -0.03 -2.29 0.00 -0.11 -1.32 0.00 0.00 176.35 172.60 1aey n LEU 34 N -3.54 0.00 -3.83 -0.68 7.94 -0.36 -4.08 117.00 112.45 1aey n LEU 34 Ca 0.10 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.87 1aey n LEU 34 Cb 0.60 0.12 -0.14 0.00 0.53 0.00 0.00 43.42 44.53 1aey n LEU 34 CO 0.53 -0.44 -0.34 0.21 -1.11 0.00 0.00 177.39 176.24 1aey s ASN 35 N -3.99 0.00 0.00 1.96 2.47 0.07 -4.47 114.94 110.98 1aey s ASN 35 Ca 0.00 0.05 0.14 0.00 0.42 0.00 0.00 52.86 53.47 1aey s ASN 35 Cb 0.00 0.02 0.23 0.00 -1.45 0.00 0.00 41.25 40.05 1aey s ASN 35 CO 0.00 -0.05 1.08 -1.54 -3.72 0.00 0.00 177.10 172.87 1aey n SER 36 N 3.46 0.50 0.22 -4.21 3.41 -1.26 -0.89 113.62 114.84 1aey n SER 36 Ca -0.17 -1.97 0.05 0.00 -0.26 0.00 0.00 58.87 56.52 1aey n SER 36 Cb 0.57 -0.22 0.49 0.00 -0.26 0.00 0.00 64.21 64.78 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 6.84 1.11 -3.83 6.66 1.35 -1.96 -3.43 112.91 119.66 1aey h THR 37 Ca -0.15 -0.75 -0.48 0.00 -0.55 0.00 0.00 66.41 64.48 1aey h THR 37 Cb 1.66 1.41 -0.02 0.00 -1.73 0.00 0.00 68.15 69.47 1aey h THR 37 CO 0.04 0.21 0.36 0.20 -0.25 0.00 0.00 175.52 176.08 1aey s ASN 38 N -6.92 7.44 0.20 5.36 -0.87 -1.26 -4.96 114.94 113.93 1aey s ASN 38 Ca -0.04 1.91 0.25 0.00 -1.57 0.00 0.00 52.86 53.41 1aey s ASN 38 Cb 0.15 -2.59 0.51 0.00 -0.02 0.00 0.00 41.25 39.30 1aey s ASN 38 CO 0.69 0.00 1.52 0.11 -2.57 0.00 0.00 177.10 176.86 1aey h LYS 39 N 3.57 0.00 0.00 -0.60 1.57 -2.01 -3.42 116.57 115.68 1aey h LYS 39 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1aey h LYS 39 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1aey h LYS 39 CO 0.66 0.00 -0.51 -0.25 -0.57 0.00 0.00 179.45 178.79 1aey n ASP 40 N -2.33 1.23 -3.93 0.86 8.00 -1.26 -4.60 116.55 114.52 1aey n ASP 40 Ca 0.04 0.35 -0.30 0.00 0.71 0.00 0.00 54.79 55.59 1aey n ASP 40 Cb 0.45 -0.70 -0.15 0.00 -0.02 0.00 0.00 41.12 40.70 1aey n ASP 40 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1aey s TRP 41 N -2.05 2.46 0.45 1.24 0.52 -1.26 -0.51 118.94 119.79 1aey s TRP 41 Ca -0.15 -1.86 -0.20 0.00 0.02 0.00 0.00 56.10 53.92 1aey s TRP 41 Cb 0.02 -1.70 -0.10 0.00 -1.15 0.00 0.00 33.47 30.54 1aey s TRP 41 CO 0.22 -0.80 0.96 -1.58 0.02 0.00 0.00 176.95 175.77 1aey s TRP 42 N 1.37 3.34 -0.20 -1.98 0.51 -0.67 -4.66 118.94 116.65 1aey s TRP 42 Ca -0.03 1.58 -0.09 0.00 -2.12 0.00 0.00 56.10 55.44 1aey s TRP 42 Cb -0.19 -2.84 -0.04 0.00 -0.81 0.00 0.00 33.47 29.59 1aey s TRP 42 CO -0.08 -0.17 0.10 0.21 -0.51 0.00 0.00 176.95 176.50 1aey s LYS 43 N -3.39 4.04 0.07 4.98 2.20 -0.07 -0.97 119.74 126.60 1aey s LYS 43 Ca 0.61 -0.30 0.05 0.00 -0.36 0.00 0.00 55.97 55.98 1aey s LYS 43 Cb -0.09 -3.33 -0.03 0.00 -1.51 0.00 0.00 37.83 32.87 1aey s LYS 43 CO 0.17 0.23 -0.15 0.14 -0.36 0.00 0.00 175.35 175.38 1aey s VAL 44 N 0.52 1.19 -1.24 4.02 -7.23 0.16 -0.75 120.40 117.06 1aey s VAL 44 Ca 0.05 -1.28 -0.17 0.00 -1.81 0.00 0.00 61.98 58.78 1aey s VAL 44 Cb -0.12 -1.12 0.10 0.00 0.56 0.00 0.00 36.38 35.80 1aey s VAL 44 CO 0.00 -0.16 1.62 -0.70 -0.31 0.00 0.00 175.10 175.55 1aey s GLU 45 N -1.64 3.98 0.85 4.82 2.12 0.12 -0.73 118.70 128.22 1aey s GLU 45 Ca -0.00 -2.10 -0.13 0.00 0.36 0.00 0.00 54.97 53.10 1aey s GLU 45 Cb -0.10 -5.38 0.11 0.00 0.26 0.00 0.00 34.13 29.03 1aey s GLU 45 CO 0.02 -2.10 1.22 0.54 -0.54 0.00 0.00 175.26 174.39 1aey s VAL 46 N 3.49 2.00 0.21 3.70 0.11 0.17 -3.79 120.40 126.29 1aey s VAL 46 Ca 0.50 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 59.44 1aey s VAL 46 Cb 0.02 -2.99 0.29 0.00 -1.53 0.00 0.00 36.38 32.16 1aey s VAL 46 CO 0.04 0.00 1.27 -3.20 -3.33 0.00 0.00 175.10 169.88 1aey n ASN 47 N -3.45 -0.41 0.02 3.54 5.15 -1.26 -2.27 115.26 116.59 1aey n ASN 47 Ca 0.10 1.41 -0.15 0.00 -0.60 0.00 0.00 54.58 55.34 1aey n ASN 47 Cb 0.61 -0.38 -0.14 0.00 -0.53 0.00 0.00 39.78 39.34 1aey n ASN 47 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 1aey h ASP 48 N 0.00 0.26 -5.07 1.20 5.19 -1.93 -3.49 116.42 112.58 1aey h ASP 48 Ca 0.34 -0.44 -0.01 0.00 -0.62 0.00 0.00 57.03 56.30 1aey h ASP 48 Cb 0.54 -0.08 -0.10 0.00 0.18 0.00 0.00 39.33 39.87 1aey h ASP 48 CO -0.82 1.38 0.07 -0.13 -3.12 0.00 0.00 179.24 176.61 1aey s ARG 49 N -2.60 1.40 -0.73 3.56 0.52 -0.96 -5.08 118.95 115.05 1aey s ARG 49 Ca -0.10 -0.83 -0.23 0.00 -0.52 0.00 0.00 55.73 54.05 1aey s ARG 49 Cb 0.07 0.54 0.06 0.00 0.52 0.00 0.00 34.95 36.14 1aey s ARG 49 CO 0.82 -0.60 1.10 -0.65 0.02 0.00 0.00 175.30 175.99 1aey s GLN 50 N -3.86 3.21 0.24 3.54 -0.21 -1.26 -0.66 119.66 120.66 1aey s GLN 50 Ca 0.08 -0.79 -0.10 0.00 0.02 0.00 0.00 55.36 54.57 1aey s GLN 50 Cb -0.01 -4.36 -0.01 0.00 1.00 0.00 0.00 33.01 29.62 1aey s GLN 50 CO -0.03 -1.93 0.40 0.20 -2.12 0.00 0.00 175.29 171.81 1aey s GLY 51 N 3.78 0.73 0.06 3.09 0.00 0.09 -4.90 107.32 110.17 1aey s GLY 51 Ca 0.28 -1.05 -0.19 0.00 0.00 0.00 0.00 44.72 43.76 1aey s GLY 51 CO 0.08 -0.79 0.55 -1.36 0.00 0.00 0.00 173.10 171.58 1aey s PHE 52 N -4.05 3.80 0.07 1.90 0.08 -0.57 -0.67 117.98 118.55 1aey s PHE 52 Ca 0.26 1.24 0.04 0.00 0.12 0.00 0.00 56.93 58.59 1aey s PHE 52 Cb 0.01 -2.47 -0.03 0.00 -0.57 0.00 0.00 43.02 39.96 1aey s PHE 52 CO 0.10 0.59 -0.13 0.14 -0.10 0.00 0.00 175.22 175.82 1aey s VAL 53 N -1.10 1.00 -0.04 -0.44 -7.23 -0.15 -1.47 120.40 110.97 1aey s VAL 53 Ca 0.28 -1.31 -0.32 0.00 -1.81 0.00 0.00 61.98 58.82 1aey s VAL 53 Cb -0.19 -1.03 -0.10 0.00 0.56 0.00 0.00 36.38 35.62 1aey s VAL 53 CO 0.18 -0.29 1.95 -2.65 -0.31 0.00 0.00 175.10 173.98 1aey n PRO 54 N 1.22 2.50 -0.14 4.82 -0.02 -1.26 -1.66 135.00 140.45 1aey n PRO 54 Ca -0.21 0.91 0.21 0.00 -2.02 0.00 0.00 63.50 62.39 1aey n PRO 54 Cb 0.55 -2.85 0.62 0.00 -0.02 0.00 0.00 33.50 31.79 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 10.24 2.45 -0.72 3.55 0.00 -1.06 0.31 119.26 134.03 1aey h ALA 55 Ca -0.49 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.46 1aey h ALA 55 Cb 1.26 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 1aey h ALA 55 CO 0.95 -0.68 0.47 0.00 0.00 0.00 0.00 179.25 179.99 1aey h ALA 56 N 1.63 1.64 -0.53 0.00 0.00 -1.82 -2.89 119.26 117.30 1aey h ALA 56 Ca 0.38 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 1aey h ALA 56 Cb 1.22 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1aey h ALA 56 CO -0.07 0.27 0.01 0.66 0.00 0.00 0.00 179.25 180.12 1aey n TYR 57 N -4.47 1.92 -4.24 0.00 4.01 0.09 -4.87 117.16 109.60 1aey n TYR 57 Ca 0.10 -0.67 -0.18 0.00 -0.16 0.00 0.00 57.90 56.99 1aey n TYR 57 Cb 0.17 -0.48 -0.13 0.00 -0.31 0.00 0.00 39.34 38.59 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 -2.62 0.91 -0.10 -0.72 -7.23 -1.09 -0.41 120.40 109.14 1aey s VAL 58 Ca 0.50 -0.98 0.01 0.00 -1.81 0.00 0.00 61.98 59.71 1aey s VAL 58 Cb 0.38 -0.86 0.02 0.00 0.56 0.00 0.00 36.38 36.48 1aey s VAL 58 CO 0.14 -0.10 -0.14 -0.75 -0.31 0.00 0.00 175.10 173.95 1aey s LYS 59 N -1.21 2.02 0.22 4.82 2.47 -0.72 -4.94 119.74 122.40 1aey s LYS 59 Ca -0.01 -0.49 -0.31 0.00 -1.56 0.00 0.00 55.97 53.60 1aey s LYS 59 Cb -0.08 -1.76 -0.10 0.00 -1.46 0.00 0.00 37.83 34.43 1aey s LYS 59 CO 0.01 -0.08 1.53 0.15 0.16 0.00 0.00 175.35 177.12 1aey s LYS 60 N 1.03 4.22 -0.15 4.03 1.02 -1.26 -0.40 119.74 128.23 1aey s LYS 60 Ca -0.06 2.38 -0.27 0.00 0.02 0.00 0.00 55.97 58.04 1aey s LYS 60 Cb -0.15 -3.11 -0.24 0.00 -0.52 0.00 0.00 37.83 33.81 1aey s LYS 60 CO -0.02 -0.54 0.67 -0.07 -0.92 0.00 0.00 175.35 174.47 1aey h LEU 61 N 5.81 0.00 -0.88 3.17 3.38 -1.49 -3.46 115.31 121.84 1aey h LEU 61 Ca -0.45 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 56.62 1aey h LEU 61 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1aey h LEU 61 CO 0.84 1.04 0.00 0.47 0.09 0.00 0.00 178.44 180.88