#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 -3.93 -2.03 1.61 5.02 -1.26 -5.05 118.16 112.52 1aey n LYS 6 Ca 0.00 3.05 -0.29 0.00 -2.02 0.00 0.00 58.31 59.05 1aey n LYS 6 Cb 0.00 -4.98 0.18 0.00 -0.02 0.00 0.00 35.03 30.21 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 -1.08 0.76 -0.02 1.97 8.01 0.05 -4.79 118.70 123.60 1aey s GLU 7 Ca -0.15 -0.52 0.03 0.00 0.01 0.00 0.00 54.97 54.34 1aey s GLU 7 Cb 0.01 -1.91 -0.00 0.00 -4.31 0.00 0.00 34.13 27.91 1aey s GLU 7 CO 0.75 -2.30 -0.12 -0.51 0.01 0.00 0.00 175.26 173.09 1aey s LEU 8 N -5.79 1.92 0.01 1.80 1.02 -1.26 0.13 118.68 116.51 1aey s LEU 8 Ca 0.73 -0.23 0.00 0.00 0.02 0.00 0.00 54.13 54.66 1aey s LEU 8 Cb -0.04 -0.65 -0.01 0.00 0.02 0.00 0.00 46.19 45.51 1aey s LEU 8 CO 0.52 0.12 -0.03 0.68 0.02 0.00 0.00 176.35 177.66 1aey s VAL 9 N -0.05 0.12 -0.10 -1.59 -7.23 -1.05 -0.87 120.40 109.62 1aey s VAL 9 Ca 0.00 -0.63 -0.12 0.00 -1.81 0.00 0.00 61.98 59.43 1aey s VAL 9 Cb -0.07 -0.22 -0.05 0.00 0.56 0.00 0.00 36.38 36.60 1aey s VAL 9 CO 0.00 -0.32 0.28 -0.22 -0.31 0.00 0.00 175.10 174.53 1aey s LEU 10 N -0.99 4.35 -0.15 1.32 2.96 0.07 -0.54 118.68 125.70 1aey s LEU 10 Ca -0.10 0.62 -0.29 0.00 -0.22 0.00 0.00 54.13 54.14 1aey s LEU 10 Cb -0.07 -2.34 -0.00 0.00 0.50 0.00 0.00 46.19 44.27 1aey s LEU 10 CO -0.01 0.25 1.05 0.00 -1.32 0.00 0.00 176.35 176.33 1aey s ALA 11 N -0.41 3.54 0.11 5.97 0.00 0.14 -0.73 121.76 130.39 1aey s ALA 11 Ca 0.18 0.32 0.03 0.00 0.00 0.00 0.00 51.96 52.50 1aey s ALA 11 Cb -0.14 -3.50 -0.21 0.00 0.00 0.00 0.00 23.12 19.27 1aey s ALA 11 CO 0.06 -0.83 1.25 -0.07 0.00 0.00 0.00 175.76 176.18 1aey h LEU 12 N 8.70 0.14 -7.73 0.00 3.38 -0.95 0.46 115.31 119.32 1aey h LEU 12 Ca -0.26 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.43 1aey h LEU 12 Cb 1.11 -0.05 -0.19 0.00 0.09 0.00 0.00 40.66 41.62 1aey h LEU 12 CO 0.91 1.10 -0.44 -0.31 0.09 0.00 0.00 178.44 179.79 1aey s TYR 13 N -2.74 0.03 0.09 1.13 2.02 -1.24 -4.80 117.35 111.85 1aey s TYR 13 Ca -0.01 -0.16 -0.31 0.00 -0.37 0.00 0.00 57.07 56.23 1aey s TYR 13 Cb 0.09 -0.04 -0.08 0.00 -0.40 0.00 0.00 41.96 41.54 1aey s TYR 13 CO 0.84 -0.34 1.44 -0.51 -1.57 0.00 0.00 175.55 175.41 1aey s ASP 14 N -1.62 6.78 0.02 2.29 1.11 -1.26 -4.14 116.67 119.84 1aey s ASP 14 Ca -0.11 2.34 0.06 0.00 0.18 0.00 0.00 52.55 55.01 1aey s ASP 14 Cb -0.05 -2.58 -0.02 0.00 1.07 0.00 0.00 42.92 41.34 1aey s ASP 14 CO 0.00 -0.71 -0.17 -0.47 1.18 0.00 0.00 175.17 174.99 1aey s TYR 15 N 1.53 1.54 -0.16 4.23 5.04 -0.13 -4.89 117.35 124.51 1aey s TYR 15 Ca 0.66 -0.33 0.00 0.00 -2.44 0.00 0.00 57.07 54.96 1aey s TYR 15 Cb -0.37 -0.94 -0.00 0.00 0.35 0.00 0.00 41.96 41.00 1aey s TYR 15 CO 0.30 0.03 -0.15 -1.14 -1.34 0.00 0.00 175.55 173.25 1aey s GLN 16 N -0.86 3.21 0.35 4.97 2.00 -1.26 -1.64 119.66 126.42 1aey s GLN 16 Ca 0.06 -0.75 -0.29 0.00 -2.00 0.00 0.00 55.36 52.38 1aey s GLN 16 Cb -0.08 -2.63 -0.11 0.00 0.80 0.00 0.00 33.01 30.99 1aey s GLN 16 CO 0.01 0.01 1.54 -0.85 -0.50 0.00 0.00 175.29 175.50 1aey n GLU 17 N 4.08 2.72 -0.03 1.67 0.28 -1.26 -4.88 120.64 123.22 1aey n GLU 17 Ca -0.19 0.96 -0.10 0.00 -0.16 0.00 0.00 57.16 57.67 1aey n GLU 17 Cb 0.52 -2.72 -0.14 0.00 1.43 0.00 0.00 31.44 30.53 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 1.12 0.65 -4.11 3.44 4.76 -1.26 -4.96 118.16 117.80 1aey n LYS 18 Ca 0.04 0.25 -0.11 0.00 -2.87 0.00 0.00 58.31 55.63 1aey n LYS 18 Cb 0.38 -1.75 -0.09 0.00 -1.84 0.00 0.00 35.03 31.74 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 -6.09 0.11 0.46 4.39 1.04 -1.26 -5.02 113.70 107.33 1aey s SER 19 Ca -0.07 -1.17 0.17 0.00 0.48 0.00 0.00 55.95 55.35 1aey s SER 19 Cb 0.08 0.41 0.90 0.00 0.10 0.00 0.00 66.02 67.51 1aey s SER 19 CO 0.82 -0.89 1.44 -0.65 0.98 0.00 0.00 173.24 174.94 1aey h PRO 20 N 2.58 0.00 0.21 4.02 0.11 -2.04 -0.54 132.00 136.34 1aey h PRO 20 Ca -0.33 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.46 1aey h PRO 20 Cb 1.24 0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.38 1aey h PRO 20 CO 0.50 0.00 -1.37 0.00 -0.21 0.00 0.00 178.00 176.92 1aey h ARG 21 N 0.00 0.56 -7.44 1.05 3.08 -1.97 -3.45 114.38 106.21 1aey h ARG 21 Ca 0.00 -0.88 -0.50 0.00 0.07 0.00 0.00 59.98 58.67 1aey h ARG 21 Cb 0.78 0.32 0.07 0.00 0.08 0.00 0.00 29.97 31.22 1aey h ARG 21 CO 0.00 1.42 0.41 -1.21 -1.07 0.00 0.00 179.97 179.52 1aey s GLU 22 N -2.71 3.07 0.01 0.04 8.01 -0.21 -1.14 118.70 125.77 1aey s GLU 22 Ca -0.09 0.56 0.00 0.00 0.01 0.00 0.00 54.97 55.45 1aey s GLU 22 Cb 0.04 -2.04 -0.01 0.00 -4.31 0.00 0.00 34.13 27.82 1aey s GLU 22 CO 0.94 -0.90 -0.01 0.14 0.01 0.00 0.00 175.26 175.43 1aey s VAL 23 N -3.30 0.06 0.40 2.63 -7.23 -0.90 -4.67 120.40 107.40 1aey s VAL 23 Ca 0.57 -0.37 -0.23 0.00 -1.81 0.00 0.00 61.98 60.15 1aey s VAL 23 Cb -0.11 -0.12 -0.10 0.00 0.56 0.00 0.00 36.38 36.60 1aey s VAL 23 CO 0.53 -0.19 0.97 -0.89 -0.31 0.00 0.00 175.10 175.20 1aey s THR 24 N -0.58 4.21 0.05 5.32 2.01 -1.26 -4.37 115.64 121.01 1aey s THR 24 Ca -0.06 1.52 -0.14 0.00 0.31 0.00 0.00 61.69 63.32 1aey s THR 24 Cb -0.04 -3.70 0.02 0.00 0.01 0.00 0.00 72.50 68.79 1aey s THR 24 CO -0.00 -0.15 0.32 0.00 -0.69 0.00 0.00 174.62 174.09 1aey s MET 25 N -2.81 0.84 0.18 4.92 0.23 -0.65 -4.95 119.30 117.06 1aey s MET 25 Ca 0.59 -0.51 -0.03 0.00 -1.03 0.00 0.00 55.69 54.70 1aey s MET 25 Cb -0.14 0.37 -0.05 0.00 -1.53 0.00 0.00 34.83 33.48 1aey s MET 25 CO 0.18 -0.28 0.41 0.21 -2.03 0.00 0.00 175.02 173.51 1aey s LYS 26 N -2.66 3.58 0.20 3.16 2.20 -1.26 -0.95 119.74 124.01 1aey s LYS 26 Ca -0.04 -0.17 -0.32 0.00 -0.36 0.00 0.00 55.97 55.07 1aey s LYS 26 Cb -0.00 -2.82 -0.14 0.00 -1.51 0.00 0.00 37.83 33.35 1aey s LYS 26 CO -0.04 0.41 1.34 1.17 -0.36 0.00 0.00 175.35 177.86 1aey n LYS 27 N -0.33 1.69 -0.54 4.03 4.81 -1.26 -1.67 118.16 124.89 1aey n LYS 27 Ca -0.03 0.60 0.00 0.00 -0.87 0.00 0.00 58.31 58.01 1aey n LYS 27 Cb 0.53 -2.22 0.00 0.00 0.02 0.00 0.00 35.03 33.36 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 2.25 1.40 3.77 3.14 0.00 0.15 -4.94 105.19 110.96 1aey n GLY 28 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.20 6.48 -0.34 1.61 1.01 -0.67 -4.68 116.67 116.88 1aey s ASP 29 Ca 0.00 2.92 -0.11 0.00 0.71 0.00 0.00 52.55 56.07 1aey s ASP 29 Cb 0.00 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 41.27 1aey s ASP 29 CO 0.00 -0.78 0.19 0.27 0.21 0.00 0.00 175.17 175.06 1aey s ILE 30 N -0.91 4.79 0.33 0.77 -0.00 -1.26 -0.68 121.20 124.24 1aey s ILE 30 Ca 0.54 -0.49 0.04 0.00 -0.00 0.00 0.00 60.65 60.74 1aey s ILE 30 Cb -0.45 -3.52 -0.02 0.00 -0.00 0.00 0.00 42.46 38.48 1aey s ILE 30 CO 0.57 -0.05 0.48 -0.76 -0.00 0.00 0.00 174.94 175.19 1aey s LEU 31 N 1.63 4.03 -0.55 0.37 1.43 0.30 -4.94 118.68 120.95 1aey s LEU 31 Ca 0.04 0.06 -0.09 0.00 -1.03 0.00 0.00 54.13 53.11 1aey s LEU 31 Cb -0.18 -2.93 0.14 0.00 0.03 0.00 0.00 46.19 43.26 1aey s LEU 31 CO 0.08 -0.35 0.42 -0.89 0.23 0.00 0.00 176.35 175.84 1aey s THR 32 N -2.20 4.30 -0.14 5.49 2.01 -0.42 -2.54 115.64 122.14 1aey s THR 32 Ca 0.41 -2.13 -0.29 0.00 0.31 0.00 0.00 61.69 59.99 1aey s THR 32 Cb -0.09 -3.80 -0.01 0.00 0.01 0.00 0.00 72.50 68.61 1aey s THR 32 CO 0.32 -0.83 1.07 -0.22 -0.69 0.00 0.00 174.62 174.27 1aey s LEU 33 N 0.90 4.20 -0.17 4.42 2.96 0.12 -0.14 118.68 130.96 1aey s LEU 33 Ca 0.10 1.54 -0.15 0.00 -0.22 0.00 0.00 54.13 55.39 1aey s LEU 33 Cb -0.23 -3.55 -0.11 0.00 0.50 0.00 0.00 46.19 42.80 1aey s LEU 33 CO -0.03 -0.57 0.03 0.25 -1.32 0.00 0.00 176.35 174.71 1aey h LEU 34 N 8.68 0.00 -6.55 -0.68 5.85 -1.32 0.17 115.31 121.47 1aey h LEU 34 Ca -0.27 -0.26 -0.19 0.00 0.84 0.00 0.00 57.88 58.00 1aey h LEU 34 Cb 1.12 0.00 -0.31 0.00 0.37 0.00 0.00 40.66 41.84 1aey h LEU 34 CO 0.91 1.13 -0.51 0.21 -0.34 0.00 0.00 178.44 179.84 1aey s ASN 35 N -6.30 0.47 -0.55 1.25 2.47 -0.39 -4.75 114.94 107.13 1aey s ASN 35 Ca -0.22 0.15 0.02 0.00 0.42 0.00 0.00 52.86 53.23 1aey s ASN 35 Cb 0.04 0.96 0.43 0.00 -1.45 0.00 0.00 41.25 41.23 1aey s ASN 35 CO 0.41 -0.30 1.62 -1.54 -3.72 0.00 0.00 177.10 173.57 1aey n SER 36 N 5.36 6.33 -1.79 -4.21 3.41 -1.26 -1.12 113.62 120.33 1aey n SER 36 Ca -0.04 -3.78 -0.14 0.00 -0.26 0.00 0.00 58.87 54.65 1aey n SER 36 Cb 0.50 -0.72 0.04 0.00 -0.26 0.00 0.00 64.21 63.78 1aey n SER 36 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1aey n THR 37 N -0.70 2.55 -3.80 6.66 -2.24 -1.26 -4.83 114.28 110.65 1aey n THR 37 Ca 0.51 -1.40 -0.12 0.00 -2.27 0.00 0.00 64.05 60.77 1aey n THR 37 Cb 0.66 -1.22 -0.12 0.00 -2.10 0.00 0.00 70.33 67.55 1aey n THR 37 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1aey s ASN 38 N 0.25 -0.20 0.01 3.42 -0.87 -1.26 -5.07 114.94 111.22 1aey s ASN 38 Ca 0.28 0.37 -0.13 0.00 -1.57 0.00 0.00 52.86 51.80 1aey s ASN 38 Cb 0.22 0.41 -0.07 0.00 -0.02 0.00 0.00 41.25 41.79 1aey s ASN 38 CO 0.01 -0.11 0.94 0.50 -2.57 0.00 0.00 177.10 175.87 1aey h LYS 39 N 5.64 -0.47 0.00 -0.60 3.64 -2.01 -3.43 116.57 119.35 1aey h LYS 39 Ca -0.26 0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.03 1aey h LYS 39 Cb 1.19 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 33.10 1aey h LYS 39 CO 0.38 -0.31 -0.96 -0.25 -2.27 0.00 0.00 179.45 176.04 1aey n ASP 40 N -3.66 1.84 -4.21 4.20 8.00 -1.26 -4.57 116.55 116.89 1aey n ASP 40 Ca -0.06 0.52 -0.42 0.00 0.71 0.00 0.00 54.79 55.54 1aey n ASP 40 Cb 0.19 -0.90 -0.07 0.00 -0.02 0.00 0.00 41.12 40.32 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 -2.34 3.53 0.23 1.24 0.52 -1.26 -0.47 118.94 120.39 1aey s TRP 41 Ca -0.23 -2.18 -0.29 0.00 0.02 0.00 0.00 56.10 53.43 1aey s TRP 41 Cb 0.04 -3.52 -0.09 0.00 -1.15 0.00 0.00 33.47 28.76 1aey s TRP 41 CO 0.40 -0.94 0.91 -1.58 0.02 0.00 0.00 176.95 175.76 1aey s TRP 42 N 0.49 3.96 -0.11 -1.98 0.51 -0.84 -4.75 118.94 116.22 1aey s TRP 42 Ca 0.13 1.87 -0.18 0.00 -2.12 0.00 0.00 56.10 55.80 1aey s TRP 42 Cb -0.19 -2.94 -0.04 0.00 -0.81 0.00 0.00 33.47 29.48 1aey s TRP 42 CO -0.04 0.46 0.47 0.21 -0.51 0.00 0.00 176.95 177.53 1aey s LYS 43 N -1.22 4.31 0.03 4.98 2.20 -0.28 -0.87 119.74 128.90 1aey s LYS 43 Ca 0.41 0.44 0.01 0.00 -0.36 0.00 0.00 55.97 56.47 1aey s LYS 43 Cb -0.25 -3.42 -0.02 0.00 -1.51 0.00 0.00 37.83 32.63 1aey s LYS 43 CO 0.31 0.20 -0.05 0.14 -0.36 0.00 0.00 175.35 175.58 1aey s VAL 44 N 0.48 0.33 -0.13 4.02 -7.23 0.16 -0.91 120.40 117.13 1aey s VAL 44 Ca 0.26 -0.94 -0.28 0.00 -1.81 0.00 0.00 61.98 59.21 1aey s VAL 44 Cb -0.15 -0.43 -0.01 0.00 0.56 0.00 0.00 36.38 36.35 1aey s VAL 44 CO 0.10 -0.40 0.96 -1.61 -0.31 0.00 0.00 175.10 173.84 1aey s GLU 45 N -1.42 4.38 -0.07 4.82 2.02 0.81 -0.51 118.70 128.73 1aey s GLU 45 Ca -0.12 1.28 -0.03 0.00 0.02 0.00 0.00 54.97 56.13 1aey s GLU 45 Cb -0.09 -3.56 0.04 0.00 0.10 0.00 0.00 34.13 30.62 1aey s GLU 45 CO -0.00 -0.34 0.13 0.54 0.02 0.00 0.00 175.26 175.61 1aey s VAL 46 N 2.13 -0.15 0.00 2.63 0.11 -0.51 -1.30 120.40 123.31 1aey s VAL 46 Ca 0.45 0.30 0.00 0.00 -2.93 0.00 0.00 61.98 59.80 1aey s VAL 46 Cb -0.17 -0.23 0.00 0.00 -1.53 0.00 0.00 36.38 34.44 1aey s VAL 46 CO 0.15 0.12 0.00 -3.20 -3.33 0.00 0.00 175.10 168.85 1aey n ASN 47 N 4.86 0.00 -0.61 3.54 5.15 -1.26 -1.13 115.26 125.81 1aey n ASN 47 Ca -0.14 0.00 -0.02 0.00 -0.60 0.00 0.00 54.58 53.83 1aey n ASN 47 Cb 0.50 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.74 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 1.03 -0.23 -3.98 1.20 5.75 -1.26 -5.12 116.55 113.94 1aey n ASP 48 Ca 0.00 -1.22 -0.26 0.00 -0.01 0.00 0.00 54.79 53.30 1aey n ASP 48 Cb 0.00 0.07 -0.17 0.00 -1.03 0.00 0.00 41.12 39.99 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 0.00 1.66 -1.36 0.11 0.52 -0.28 -5.05 118.95 114.55 1aey s ARG 49 Ca 0.00 -0.36 -0.10 0.00 -0.52 0.00 0.00 55.73 54.75 1aey s ARG 49 Cb 0.00 -1.51 0.11 0.00 0.52 0.00 0.00 34.95 34.07 1aey s ARG 49 CO 0.00 -0.11 2.12 0.94 0.02 0.00 0.00 175.30 178.27 1aey n GLN 50 N 4.32 3.56 -3.86 3.54 7.27 -1.26 -1.42 117.38 129.53 1aey n GLN 50 Ca -0.18 -3.18 -0.24 0.00 0.07 0.00 0.00 57.00 53.47 1aey n GLN 50 Cb 0.51 -2.97 -0.04 0.00 2.41 0.00 0.00 30.24 30.15 1aey n GLN 50 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 1aey s GLY 51 N 1.48 2.29 0.05 1.69 0.00 0.33 -4.71 107.32 108.45 1aey s GLY 51 Ca 0.46 -1.77 -0.19 0.00 0.00 0.00 0.00 44.72 43.22 1aey s GLY 51 CO -0.04 -1.85 0.54 -1.36 0.00 0.00 0.00 173.10 170.40 1aey s PHE 52 N -2.61 3.78 0.07 1.90 0.08 -0.29 -0.66 117.98 120.25 1aey s PHE 52 Ca 0.41 1.21 0.06 0.00 0.12 0.00 0.00 56.93 58.74 1aey s PHE 52 Cb -0.00 -2.48 -0.03 0.00 -0.57 0.00 0.00 43.02 39.94 1aey s PHE 52 CO 0.24 0.57 -0.17 0.14 -0.10 0.00 0.00 175.22 175.89 1aey s VAL 53 N -0.98 1.39 -0.01 -0.44 -7.23 -0.04 -2.11 120.40 110.98 1aey s VAL 53 Ca 0.28 -1.32 -0.30 0.00 -1.81 0.00 0.00 61.98 58.83 1aey s VAL 53 Cb -0.19 -1.28 -0.07 0.00 0.56 0.00 0.00 36.38 35.40 1aey s VAL 53 CO 0.18 -0.07 1.84 -2.84 -0.31 0.00 0.00 175.10 173.90 1aey s PRO 54 N -1.62 4.12 0.43 4.82 0.02 -1.26 -1.98 135.00 139.53 1aey s PRO 54 Ca 0.03 2.41 0.22 0.00 0.02 0.00 0.00 61.00 63.68 1aey s PRO 54 Cb -0.09 -4.10 1.20 0.00 0.02 0.00 0.00 34.50 31.53 1aey s PRO 54 CO 0.03 -0.95 1.79 0.00 -0.33 0.00 0.00 177.00 177.53 1aey h ALA 55 N 10.31 2.41 -0.95 -1.55 0.00 -1.02 0.56 119.26 129.02 1aey h ALA 55 Ca -0.45 0.04 0.14 0.00 0.00 0.00 0.00 54.91 54.64 1aey h ALA 55 Cb 1.21 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.96 1aey h ALA 55 CO 0.95 -0.79 0.60 0.00 0.00 0.00 0.00 179.25 180.01 1aey h ALA 56 N 1.58 1.70 -0.56 0.00 0.00 -1.87 -2.90 119.26 117.21 1aey h ALA 56 Ca 0.57 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.39 1aey h ALA 56 Cb 1.61 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 19.18 1aey h ALA 56 CO -0.22 0.04 0.12 0.66 0.00 0.00 0.00 179.25 179.85 1aey n TYR 57 N -4.60 1.93 -4.26 0.00 4.01 0.19 -4.90 117.16 109.53 1aey n TYR 57 Ca 0.19 -1.04 -0.16 0.00 -0.16 0.00 0.00 57.90 56.72 1aey n TYR 57 Cb 0.44 -0.55 -0.11 0.00 -0.31 0.00 0.00 39.34 38.81 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 -2.93 1.31 -0.09 -0.72 -7.23 -1.10 -0.27 120.40 109.38 1aey s VAL 58 Ca 0.52 -1.91 -0.00 0.00 -1.81 0.00 0.00 61.98 58.77 1aey s VAL 58 Cb 0.41 -1.71 0.02 0.00 0.56 0.00 0.00 36.38 35.66 1aey s VAL 58 CO 0.12 -0.57 -0.05 -0.75 -0.31 0.00 0.00 175.10 173.54 1aey s LYS 59 N -3.21 1.17 0.25 4.82 2.36 0.09 -4.81 119.74 120.41 1aey s LYS 59 Ca 0.14 -0.13 -0.31 0.00 -2.55 0.00 0.00 55.97 53.11 1aey s LYS 59 Cb -0.01 -1.30 -0.12 0.00 -1.05 0.00 0.00 37.83 35.35 1aey s LYS 59 CO 0.03 -0.24 1.63 1.63 1.55 0.00 0.00 175.35 179.95 1aey n LYS 60 N 4.85 2.66 -0.02 4.03 5.02 -1.26 -0.75 118.16 132.68 1aey n LYS 60 Ca -0.13 0.95 -0.22 0.00 -2.02 0.00 0.00 58.31 56.90 1aey n LYS 60 Cb 0.50 -2.75 -0.13 0.00 -0.02 0.00 0.00 35.03 32.63 1aey n LYS 60 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1aey h LEU 61 N 5.56 0.29 -1.82 -0.35 3.38 -1.33 -3.46 115.31 117.58 1aey h LEU 61 Ca -0.45 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 56.72 1aey h LEU 61 Cb 1.22 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1aey h LEU 61 CO 0.86 1.68 0.00 -0.67 0.09 0.00 0.00 178.44 180.40