#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 3.63 -4.03 1.61 5.02 -1.26 -5.09 118.16 118.03 1aey n LYS 6 Ca 0.00 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.07 1aey n LYS 6 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 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 0.00 2.67 0.04 1.97 2.02 -0.71 -5.00 118.70 119.70 1aey s GLU 7 Ca 0.00 -1.27 0.02 0.00 0.02 0.00 0.00 54.97 53.74 1aey s GLU 7 Cb 0.00 -2.41 -0.02 0.00 0.10 0.00 0.00 34.13 31.79 1aey s GLU 7 CO 0.00 0.24 -0.08 -0.51 0.02 0.00 0.00 175.26 174.92 1aey s LEU 8 N -3.87 2.26 0.03 1.80 1.02 -0.36 0.16 118.68 119.72 1aey s LEU 8 Ca 0.36 -0.55 0.02 0.00 0.02 0.00 0.00 54.13 53.97 1aey s LEU 8 Cb -0.06 -0.20 -0.02 0.00 0.02 0.00 0.00 46.19 45.94 1aey s LEU 8 CO 0.24 -0.19 -0.06 0.68 0.02 0.00 0.00 176.35 177.04 1aey s VAL 9 N -1.37 0.42 -0.09 -1.59 -7.23 -0.82 -0.72 120.40 109.00 1aey s VAL 9 Ca -0.09 -0.83 -0.21 0.00 -1.81 0.00 0.00 61.98 59.04 1aey s VAL 9 Cb -0.10 -0.47 -0.04 0.00 0.56 0.00 0.00 36.38 36.33 1aey s VAL 9 CO 0.01 -0.29 0.59 -0.22 -0.31 0.00 0.00 175.10 174.88 1aey s LEU 10 N -1.20 4.30 -0.24 1.32 1.98 0.10 -0.64 118.68 124.30 1aey s LEU 10 Ca -0.08 1.00 -0.29 0.00 -2.89 0.00 0.00 54.13 51.87 1aey s LEU 10 Cb -0.08 -2.89 0.01 0.00 0.66 0.00 0.00 46.19 43.89 1aey s LEU 10 CO 0.00 -0.06 1.07 0.00 -1.89 0.00 0.00 176.35 175.48 1aey s ALA 11 N 0.71 3.64 0.05 5.97 0.00 0.40 -0.89 121.76 131.64 1aey s ALA 11 Ca 0.32 0.16 -0.14 0.00 0.00 0.00 0.00 51.96 52.29 1aey s ALA 11 Cb -0.16 -3.59 -0.31 0.00 0.00 0.00 0.00 23.12 19.06 1aey s ALA 11 CO 0.14 -1.17 1.07 -0.07 0.00 0.00 0.00 175.76 175.74 1aey h LEU 12 N 9.64 0.84 -8.58 0.00 3.38 -0.74 0.63 115.31 120.48 1aey h LEU 12 Ca -0.20 -0.82 -0.26 0.00 0.09 0.00 0.00 57.88 56.69 1aey h LEU 12 Cb 1.06 -0.27 -0.15 0.00 0.09 0.00 0.00 40.66 41.40 1aey h LEU 12 CO 0.99 1.63 -0.66 -0.31 0.09 0.00 0.00 178.44 180.18 1aey s TYR 13 N -2.83 1.10 0.98 1.13 2.02 -1.20 -4.70 117.35 113.85 1aey s TYR 13 Ca -0.09 -1.05 -0.12 0.00 -0.37 0.00 0.00 57.07 55.44 1aey s TYR 13 Cb 0.05 -0.63 0.17 0.00 -0.40 0.00 0.00 41.96 41.16 1aey s TYR 13 CO 0.94 -0.27 1.10 -0.51 -1.57 0.00 0.00 175.55 175.24 1aey s ASP 14 N -3.13 2.85 -0.02 2.29 1.11 -1.26 -4.17 116.67 114.33 1aey s ASP 14 Ca 0.22 1.15 -0.19 0.00 0.18 0.00 0.00 52.55 53.91 1aey s ASP 14 Cb 0.06 -1.79 0.03 0.00 1.07 0.00 0.00 42.92 42.29 1aey s ASP 14 CO 0.02 -2.98 0.40 -0.47 1.18 0.00 0.00 175.17 173.32 1aey s TYR 15 N -3.04 -0.30 -0.08 4.23 5.04 -0.45 -4.89 117.35 117.87 1aey s TYR 15 Ca 0.65 0.48 0.02 0.00 -2.44 0.00 0.00 57.07 55.78 1aey s TYR 15 Cb -0.18 0.17 0.01 0.00 0.35 0.00 0.00 41.96 42.32 1aey s TYR 15 CO 0.57 -0.44 -0.14 -1.14 -1.34 0.00 0.00 175.55 173.06 1aey s GLN 16 N -1.28 1.93 0.76 4.97 0.74 -1.26 -1.07 119.66 124.46 1aey s GLN 16 Ca -0.13 -0.48 -0.16 0.00 0.05 0.00 0.00 55.36 54.64 1aey s GLN 16 Cb -0.04 -1.59 -0.03 0.00 1.10 0.00 0.00 33.01 32.46 1aey s GLN 16 CO 0.06 0.02 0.51 -0.85 -0.55 0.00 0.00 175.29 174.48 1aey n GLU 17 N 3.88 0.21 -0.07 1.67 -0.00 -1.26 -4.91 120.64 120.16 1aey n GLU 17 Ca -0.21 0.11 0.04 0.00 -0.00 0.00 0.00 57.16 57.09 1aey n GLU 17 Cb 0.52 -1.84 0.05 0.00 -0.00 0.00 0.00 31.44 30.17 1aey n GLU 17 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1aey n LYS 18 N -0.90 1.77 -3.55 3.44 5.02 -1.26 -4.99 118.16 117.69 1aey n LYS 18 Ca 0.09 -1.72 -0.10 0.00 -2.02 0.00 0.00 58.31 54.56 1aey n LYS 18 Cb 0.50 -1.07 -0.04 0.00 -0.02 0.00 0.00 35.03 34.40 1aey n LYS 18 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1aey s SER 19 N -1.55 -0.36 0.61 4.39 1.04 -1.26 -5.01 113.70 111.55 1aey s SER 19 Ca 0.11 0.25 0.34 0.00 0.48 0.00 0.00 55.95 57.14 1aey s SER 19 Cb 0.10 0.33 1.99 0.00 0.10 0.00 0.00 66.02 68.54 1aey s SER 19 CO 0.01 -0.44 2.29 1.55 0.98 0.00 0.00 173.24 177.63 1aey h PRO 20 N 2.35 0.00 0.09 4.02 0.13 -2.03 -1.70 132.00 134.87 1aey h PRO 20 Ca -0.19 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.68 1aey h PRO 20 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1aey h PRO 20 CO 0.31 0.00 -1.17 0.07 -0.23 0.00 0.00 178.00 176.98 1aey h ARG 21 N 0.00 0.22 -7.22 0.86 0.11 -1.97 -3.45 114.38 102.93 1aey h ARG 21 Ca -0.00 -0.36 -0.48 0.00 0.10 0.00 0.00 59.98 59.24 1aey h ARG 21 Cb 0.00 0.13 0.03 0.00 1.11 0.00 0.00 29.97 31.24 1aey h ARG 21 CO 0.00 1.16 0.38 -1.21 0.10 0.00 0.00 179.97 180.40 1aey s GLU 22 N -2.71 3.83 0.09 0.08 2.02 -0.64 -0.96 118.70 120.41 1aey s GLU 22 Ca -0.03 0.96 0.04 0.00 0.02 0.00 0.00 54.97 55.95 1aey s GLU 22 Cb 0.08 -2.12 -0.04 0.00 0.10 0.00 0.00 34.13 32.16 1aey s GLU 22 CO 0.87 -0.38 -0.10 0.14 0.02 0.00 0.00 175.26 175.81 1aey s VAL 23 N -2.68 0.91 0.35 2.63 -7.23 -0.76 -4.68 120.40 108.94 1aey s VAL 23 Ca 0.59 -1.63 -0.21 0.00 -1.81 0.00 0.00 61.98 58.91 1aey s VAL 23 Cb -0.11 -1.35 -0.10 0.00 0.56 0.00 0.00 36.38 35.39 1aey s VAL 23 CO 0.35 -0.57 0.88 -0.89 -0.31 0.00 0.00 175.10 174.57 1aey s THR 24 N -2.46 4.41 0.17 5.32 2.01 -1.26 -4.00 115.64 119.83 1aey s THR 24 Ca 0.05 1.47 -0.12 0.00 0.31 0.00 0.00 61.69 63.41 1aey s THR 24 Cb -0.03 -3.76 0.00 0.00 0.01 0.00 0.00 72.50 68.73 1aey s THR 24 CO -0.00 -0.09 0.36 0.00 -0.69 0.00 0.00 174.62 174.19 1aey s MET 25 N -2.66 1.23 0.13 4.92 0.23 -0.23 -4.97 119.30 117.95 1aey s MET 25 Ca 0.55 -1.08 0.11 0.00 -1.03 0.00 0.00 55.69 54.23 1aey s MET 25 Cb -0.13 0.42 -0.04 0.00 -1.53 0.00 0.00 34.83 33.55 1aey s MET 25 CO 0.18 -0.48 -0.27 0.15 -2.03 0.00 0.00 175.02 172.58 1aey s LYS 26 N -3.94 1.39 0.28 3.16 -0.14 -1.26 -1.34 119.74 117.88 1aey s LYS 26 Ca 0.15 -1.34 -0.30 0.00 -1.36 0.00 0.00 55.97 53.11 1aey s LYS 26 Cb 0.02 -1.87 -0.12 0.00 -1.68 0.00 0.00 37.83 34.18 1aey s LYS 26 CO -0.01 0.44 1.63 0.21 -0.76 0.00 0.00 175.35 176.87 1aey s LYS 27 N -2.06 4.12 0.00 1.68 2.36 -1.26 -1.74 119.74 122.84 1aey s LYS 27 Ca 0.14 2.60 0.00 0.00 -2.55 0.00 0.00 55.97 56.15 1aey s LYS 27 Cb -0.10 -3.03 0.00 0.00 -1.05 0.00 0.00 37.83 33.65 1aey s LYS 27 CO 0.06 -0.67 0.00 0.41 1.55 0.00 0.00 175.35 176.70 1aey n GLY 28 N 2.56 3.29 3.70 5.54 0.00 0.21 -4.93 105.19 115.56 1aey n GLY 28 Ca 0.10 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.68 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 0.01 3.22 -4.49 1.61 8.00 -0.71 -4.41 116.55 119.78 1aey n ASP 29 Ca 0.00 1.13 -0.42 0.00 0.71 0.00 0.00 54.79 56.21 1aey n ASP 29 Cb 0.00 -1.49 -0.03 0.00 -0.02 0.00 0.00 41.12 39.58 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 0.19 4.13 0.42 0.53 1.01 -1.26 -0.45 121.20 125.77 1aey s ILE 30 Ca 0.69 -0.18 -0.03 0.00 0.00 0.00 0.00 60.65 61.13 1aey s ILE 30 Cb -0.60 -4.78 -0.04 0.00 0.01 0.00 0.00 42.46 37.06 1aey s ILE 30 CO 0.46 -1.61 0.69 -0.76 0.00 0.00 0.00 174.94 173.73 1aey s LEU 31 N 4.59 3.79 -0.48 2.97 1.43 0.19 -4.94 118.68 126.22 1aey s LEU 31 Ca 0.28 0.76 -0.10 0.00 -1.03 0.00 0.00 54.13 54.04 1aey s LEU 31 Cb -0.13 -3.68 0.12 0.00 0.03 0.00 0.00 46.19 42.53 1aey s LEU 31 CO 0.10 -0.46 0.37 -0.89 0.23 0.00 0.00 176.35 175.70 1aey s THR 32 N -2.55 4.37 0.01 5.49 2.01 -1.11 -1.94 115.64 121.91 1aey s THR 32 Ca 0.45 -1.74 -0.30 0.00 0.31 0.00 0.00 61.69 60.41 1aey s THR 32 Cb -0.10 -3.86 -0.03 0.00 0.01 0.00 0.00 72.50 68.51 1aey s THR 32 CO 0.41 -0.79 1.02 -0.22 -0.69 0.00 0.00 174.62 174.35 1aey s LEU 33 N 1.40 4.36 -0.19 4.42 2.96 0.12 -0.29 118.68 131.46 1aey s LEU 33 Ca 0.05 1.72 -0.09 0.00 -0.22 0.00 0.00 54.13 55.60 1aey s LEU 33 Cb -0.27 -3.57 -0.09 0.00 0.50 0.00 0.00 46.19 42.77 1aey s LEU 33 CO -0.00 -0.31 -0.24 -0.11 -1.32 0.00 0.00 176.35 174.37 1aey n LEU 34 N 3.97 1.49 -3.71 -0.68 7.94 0.54 -1.74 117.00 124.81 1aey n LEU 34 Ca 0.07 0.20 -0.29 0.00 -1.11 0.00 0.00 56.01 54.88 1aey n LEU 34 Cb 0.50 -0.57 -0.15 0.00 0.53 0.00 0.00 43.42 43.73 1aey n LEU 34 CO 0.53 0.43 -0.34 0.20 -1.11 0.00 0.00 177.39 177.10 1aey s ASN 35 N -6.63 3.80 0.30 1.96 0.02 -0.02 -4.89 114.94 109.48 1aey s ASN 35 Ca -0.26 -1.46 0.25 0.00 -1.02 0.00 0.00 52.86 50.36 1aey s ASN 35 Cb 0.10 -0.76 0.64 0.00 0.02 0.00 0.00 41.25 41.24 1aey s ASN 35 CO 0.34 -0.40 1.71 0.77 0.02 0.00 0.00 177.10 179.55 1aey h SER 36 N 8.15 0.00 -1.49 -1.22 4.64 -1.91 -0.89 113.55 120.83 1aey h SER 36 Ca -0.15 0.00 0.46 0.00 -0.47 0.00 0.00 61.79 61.63 1aey h SER 36 Cb 1.03 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.02 1aey h SER 36 CO 0.45 0.00 1.01 0.71 -0.87 0.00 0.00 176.83 178.13 1aey h THR 37 N 0.00 0.13 0.00 2.95 1.35 -1.94 -0.18 112.91 115.23 1aey h THR 37 Ca 0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 1aey h THR 37 Cb 0.83 0.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.32 1aey h THR 37 CO 0.00 0.01 0.00 0.59 -0.25 0.00 0.00 175.52 175.87 1aey n ASN 38 N -4.41 0.00 0.00 5.36 3.02 -1.26 -4.89 115.26 113.08 1aey n ASN 38 Ca 0.38 0.50 0.00 0.00 -0.03 0.00 0.00 54.58 55.43 1aey n ASN 38 Cb 1.56 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 40.23 1aey n ASN 38 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1aey n LYS 39 N -1.50 0.00 -0.00 3.52 4.81 -0.08 -4.34 118.16 120.56 1aey n LYS 39 Ca 0.06 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.46 1aey n LYS 39 Cb 0.31 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.35 1aey n LYS 39 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1aey n ASP 40 N 2.36 1.16 -4.44 3.14 8.00 -1.26 -4.74 116.55 120.77 1aey n ASP 40 Ca 0.00 0.17 -0.44 0.00 0.71 0.00 0.00 54.79 55.23 1aey n ASP 40 Cb 0.00 -0.40 -0.03 0.00 -0.02 0.00 0.00 41.12 40.67 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 -2.23 2.92 0.24 1.24 0.52 -1.26 -0.25 118.94 120.12 1aey s TRP 41 Ca -0.09 -0.97 -0.30 0.00 0.02 0.00 0.00 56.10 54.76 1aey s TRP 41 Cb 0.02 -4.24 -0.09 0.00 -1.15 0.00 0.00 33.47 28.01 1aey s TRP 41 CO 0.13 -1.52 0.96 -1.58 0.02 0.00 0.00 176.95 174.96 1aey s TRP 42 N 3.23 3.93 -0.09 -1.98 0.51 -0.57 -4.59 118.94 119.38 1aey s TRP 42 Ca 0.24 1.89 -0.17 0.00 -2.12 0.00 0.00 56.10 55.94 1aey s TRP 42 Cb -0.13 -3.02 -0.05 0.00 -0.81 0.00 0.00 33.47 29.46 1aey s TRP 42 CO 0.01 0.32 0.45 0.21 -0.51 0.00 0.00 176.95 177.44 1aey s LYS 43 N -1.19 4.25 0.08 4.98 2.20 -0.34 -0.68 119.74 129.05 1aey s LYS 43 Ca 0.42 0.42 0.03 0.00 -0.36 0.00 0.00 55.97 56.47 1aey s LYS 43 Cb -0.27 -3.39 -0.03 0.00 -1.51 0.00 0.00 37.83 32.63 1aey s LYS 43 CO 0.33 0.29 -0.09 0.14 -0.36 0.00 0.00 175.35 175.66 1aey s VAL 44 N 0.21 0.82 -0.34 4.02 -7.23 0.21 -0.34 120.40 117.75 1aey s VAL 44 Ca 0.25 -1.57 -0.23 0.00 -1.81 0.00 0.00 61.98 58.62 1aey s VAL 44 Cb -0.15 -1.25 0.01 0.00 0.56 0.00 0.00 36.38 35.54 1aey s VAL 44 CO 0.11 -0.57 0.79 -0.70 -0.31 0.00 0.00 175.10 174.42 1aey s GLU 45 N -2.70 3.84 -0.05 4.82 2.12 0.60 -0.73 118.70 126.59 1aey s GLU 45 Ca 0.03 0.43 -0.02 0.00 0.36 0.00 0.00 54.97 55.77 1aey s GLU 45 Cb -0.03 -3.78 0.04 0.00 0.26 0.00 0.00 34.13 30.62 1aey s GLU 45 CO -0.01 -0.79 0.11 0.54 -0.54 0.00 0.00 175.26 174.57 1aey s VAL 46 N 3.06 -0.08 0.00 3.70 0.11 0.07 -2.73 120.40 124.54 1aey s VAL 46 Ca 0.32 0.22 0.00 0.00 -2.93 0.00 0.00 61.98 59.59 1aey s VAL 46 Cb -0.13 -0.20 0.00 0.00 -1.53 0.00 0.00 36.38 34.52 1aey s VAL 46 CO 0.15 0.09 0.00 -3.20 -3.33 0.00 0.00 175.10 168.81 1aey n ASN 47 N 4.36 0.00 -0.08 3.54 5.15 -1.26 -1.01 115.26 125.95 1aey n ASN 47 Ca -0.24 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.74 1aey n ASN 47 Cb 0.51 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.76 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 0.31 0.00 -3.81 1.20 5.75 -1.26 -5.13 116.55 113.61 1aey n ASP 48 Ca 0.00 -1.07 -0.12 0.00 -0.01 0.00 0.00 54.79 53.58 1aey n ASP 48 Cb 0.00 -0.01 -0.12 0.00 -1.03 0.00 0.00 41.12 39.95 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 0.23 -0.79 0.11 6.06 -0.18 -5.09 118.95 119.29 1aey s ARG 49 Ca 0.00 0.21 -0.16 0.00 -2.50 0.00 0.00 55.73 53.29 1aey s ARG 49 Cb 0.00 0.11 0.18 0.00 0.06 0.00 0.00 34.95 35.30 1aey s ARG 49 CO 0.00 -0.03 0.79 -0.65 -2.50 0.00 0.00 175.30 172.91 1aey s GLN 50 N 0.01 3.47 0.30 5.12 1.11 -1.26 -0.75 119.66 127.66 1aey s GLN 50 Ca -0.01 -2.13 0.03 0.00 0.01 0.00 0.00 55.36 53.26 1aey s GLN 50 Cb -0.02 -4.48 -0.06 0.00 -1.01 0.00 0.00 33.01 27.44 1aey s GLN 50 CO 0.00 -1.40 0.07 0.20 0.01 0.00 0.00 175.29 174.17 1aey s GLY 51 N 2.74 1.96 0.14 3.09 0.00 0.09 -4.88 107.32 110.46 1aey s GLY 51 Ca 0.18 -2.00 -0.18 0.00 0.00 0.00 0.00 44.72 42.72 1aey s GLY 51 CO -0.06 -1.74 0.62 -1.36 0.00 0.00 0.00 173.10 170.56 1aey s PHE 52 N -3.45 3.71 0.09 1.90 0.08 -0.13 -0.62 117.98 119.57 1aey s PHE 52 Ca 0.37 1.27 0.03 0.00 0.12 0.00 0.00 56.93 58.73 1aey s PHE 52 Cb 0.08 -2.52 -0.04 0.00 -0.57 0.00 0.00 43.02 39.98 1aey s PHE 52 CO 0.15 0.46 -0.10 0.14 -0.10 0.00 0.00 175.22 175.78 1aey s VAL 53 N -1.33 0.90 0.11 -0.44 -7.23 0.15 -1.84 120.40 110.72 1aey s VAL 53 Ca 0.36 -1.64 -0.31 0.00 -1.81 0.00 0.00 61.98 58.58 1aey s VAL 53 Cb -0.18 -1.35 -0.10 0.00 0.56 0.00 0.00 36.38 35.32 1aey s VAL 53 CO 0.20 -0.58 1.70 -2.84 -0.31 0.00 0.00 175.10 173.27 1aey s PRO 54 N -2.82 4.18 0.59 4.82 0.02 -1.26 -1.51 135.00 139.01 1aey s PRO 54 Ca 0.05 2.44 0.31 0.00 0.02 0.00 0.00 61.00 63.82 1aey s PRO 54 Cb -0.02 -3.48 1.85 0.00 0.02 0.00 0.00 34.50 32.86 1aey s PRO 54 CO -0.00 -0.75 2.25 0.00 -0.33 0.00 0.00 177.00 178.17 1aey h ALA 55 N 8.02 1.45 -0.27 -1.55 0.00 -0.91 -2.97 119.26 123.03 1aey h ALA 55 Ca -0.44 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.51 1aey h ALA 55 Cb 1.21 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1aey h ALA 55 CO 0.93 0.02 -0.01 0.00 0.00 0.00 0.00 179.25 180.19 1aey h ALA 56 N 1.99 0.23 -0.76 0.00 0.00 -1.90 -3.23 119.26 115.59 1aey h ALA 56 Ca -0.00 0.08 -0.39 0.00 0.00 0.00 0.00 54.91 54.60 1aey h ALA 56 Cb 0.04 0.14 -0.23 0.00 0.00 0.00 0.00 17.79 17.74 1aey h ALA 56 CO 0.00 -0.42 0.50 0.66 0.00 0.00 0.00 179.25 179.98 1aey n TYR 57 N -5.17 2.33 -4.11 0.00 4.01 -1.12 -4.87 117.16 108.23 1aey n TYR 57 Ca -0.01 -1.52 -0.11 0.00 -0.16 0.00 0.00 57.90 56.11 1aey n TYR 57 Cb 0.15 -0.78 -0.11 0.00 -0.31 0.00 0.00 39.34 38.29 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 -2.50 0.57 -0.06 -0.72 -7.23 -1.22 0.01 120.40 109.25 1aey s VAL 58 Ca 0.43 -1.56 -0.01 0.00 -1.81 0.00 0.00 61.98 59.04 1aey s VAL 58 Cb 0.36 -1.20 0.03 0.00 0.56 0.00 0.00 36.38 36.13 1aey s VAL 58 CO 0.08 -0.68 0.00 -0.75 -0.31 0.00 0.00 175.10 173.44 1aey s LYS 59 N -2.89 0.52 -0.26 4.82 2.47 -0.07 -4.82 119.74 119.52 1aey s LYS 59 Ca 0.02 0.10 -0.37 0.00 -1.56 0.00 0.00 55.97 54.15 1aey s LYS 59 Cb -0.01 -0.82 -0.13 0.00 -1.46 0.00 0.00 37.83 35.40 1aey s LYS 59 CO -0.03 -0.24 1.91 1.63 0.16 0.00 0.00 175.35 178.78 1aey n LYS 60 N 4.82 1.37 0.11 4.03 4.76 -1.26 -0.72 118.16 131.27 1aey n LYS 60 Ca -0.13 0.47 -0.23 0.00 -2.87 0.00 0.00 58.31 55.56 1aey n LYS 60 Cb 0.50 -2.33 -0.15 0.00 -1.84 0.00 0.00 35.03 31.21 1aey n LYS 60 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1aey h LEU 61 N 9.21 0.70 0.00 -0.35 3.38 -1.25 -3.46 115.31 123.53 1aey h LEU 61 Ca -0.41 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 56.63 1aey h LEU 61 Cb 1.31 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1aey h LEU 61 CO 0.98 1.58 0.00 -0.90 0.09 0.00 0.00 178.44 180.19