#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aey s LYS 6 N 0.00 2.34 0.45 1.61 1.02 -1.26 -4.89 119.74 119.01 1aey s LYS 6 Ca 0.00 -1.35 -0.20 0.00 0.02 0.00 0.00 55.97 54.44 1aey s LYS 6 Cb 0.00 -3.20 -0.10 0.00 -0.52 0.00 0.00 37.83 34.01 1aey s LYS 6 CO 0.00 -0.67 0.97 -1.21 -0.92 0.00 0.00 175.35 173.51 1aey s GLU 7 N 1.22 4.12 0.24 1.68 0.41 -0.50 -4.61 118.70 121.26 1aey s GLU 7 Ca -0.04 1.11 -0.19 0.00 -0.41 0.00 0.00 54.97 55.45 1aey s GLU 7 Cb -0.20 -2.16 -0.08 0.00 -1.78 0.00 0.00 34.13 29.90 1aey s GLU 7 CO -0.02 -0.12 0.73 -0.51 -0.49 0.00 0.00 175.26 174.85 1aey s LEU 8 N -3.40 4.30 0.02 1.80 1.02 -1.26 0.04 118.68 121.20 1aey s LEU 8 Ca 0.62 1.40 0.02 0.00 0.02 0.00 0.00 54.13 56.19 1aey s LEU 8 Cb -0.10 -3.67 -0.02 0.00 0.02 0.00 0.00 46.19 42.42 1aey s LEU 8 CO 0.17 -0.01 -0.06 0.68 0.02 0.00 0.00 176.35 177.16 1aey s VAL 9 N -1.60 0.43 -0.09 -1.59 -7.23 -1.06 -1.11 120.40 108.14 1aey s VAL 9 Ca 0.45 -0.77 -0.17 0.00 -1.81 0.00 0.00 61.98 59.67 1aey s VAL 9 Cb -0.16 -0.47 -0.05 0.00 0.56 0.00 0.00 36.38 36.27 1aey s VAL 9 CO 0.20 -0.24 0.46 -0.22 -0.31 0.00 0.00 175.10 174.99 1aey s LEU 10 N -1.09 4.32 -0.07 1.32 2.96 0.21 -0.32 118.68 126.01 1aey s LEU 10 Ca -0.07 0.83 -0.30 0.00 -0.22 0.00 0.00 54.13 54.38 1aey s LEU 10 Cb -0.07 -2.66 -0.02 0.00 0.50 0.00 0.00 46.19 43.94 1aey s LEU 10 CO 0.00 0.07 1.01 0.00 -1.32 0.00 0.00 176.35 176.12 1aey s ALA 11 N 0.25 3.34 -0.45 5.97 0.00 0.18 -0.88 121.76 130.17 1aey s ALA 11 Ca 0.25 0.45 0.23 0.00 0.00 0.00 0.00 51.96 52.89 1aey s ALA 11 Cb -0.15 -3.41 0.04 0.00 0.00 0.00 0.00 23.12 19.59 1aey s ALA 11 CO 0.11 -0.50 1.02 1.28 0.00 0.00 0.00 175.76 177.66 1aey n LEU 12 N 4.67 0.63 -3.98 0.00 4.77 0.14 -0.93 117.00 122.30 1aey n LEU 12 Ca 0.08 0.11 -0.09 0.00 -0.03 0.00 0.00 56.01 56.08 1aey n LEU 12 Cb 0.49 -0.09 -0.10 0.00 -2.33 0.00 0.00 43.42 41.39 1aey n LEU 12 CO 0.52 -0.04 -0.31 -0.31 -1.33 0.00 0.00 177.39 175.93 1aey s TYR 13 N -3.27 0.27 -1.17 -1.77 2.02 -1.26 -4.81 117.35 107.36 1aey s TYR 13 Ca 0.02 -0.58 -0.15 0.00 -0.37 0.00 0.00 57.07 55.98 1aey s TYR 13 Cb 0.13 -0.20 -0.06 0.00 -0.40 0.00 0.00 41.96 41.43 1aey s TYR 13 CO 0.80 -0.28 2.19 -0.25 -1.57 0.00 0.00 175.55 176.44 1aey n ASP 14 N 1.10 4.07 -4.63 2.29 9.92 -1.26 -2.97 116.55 125.07 1aey n ASP 14 Ca -0.21 -2.69 -0.42 0.00 -0.53 0.00 0.00 54.79 50.94 1aey n ASP 14 Cb 0.57 -1.39 -0.04 0.00 -0.64 0.00 0.00 41.12 39.63 1aey n ASP 14 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 1aey s TYR 15 N 3.75 3.21 0.27 1.24 5.04 -0.40 -4.94 117.35 125.51 1aey s TYR 15 Ca 0.52 1.03 -0.12 0.00 -2.44 0.00 0.00 57.07 56.07 1aey s TYR 15 Cb 0.14 -3.37 -0.08 0.00 0.35 0.00 0.00 41.96 39.00 1aey s TYR 15 CO -0.01 -0.61 0.63 -0.65 -1.34 0.00 0.00 175.55 173.57 1aey s GLN 16 N 3.21 3.88 0.80 4.97 -1.52 -1.26 -0.93 119.66 128.80 1aey s GLN 16 Ca 0.38 0.43 -0.14 0.00 -1.95 0.00 0.00 55.36 54.08 1aey s GLN 16 Cb -0.14 -2.55 0.04 0.00 -0.22 0.00 0.00 33.01 30.14 1aey s GLN 16 CO 0.12 0.24 0.88 -0.85 -0.25 0.00 0.00 175.29 175.44 1aey n GLU 17 N -0.27 0.17 -0.00 2.91 0.00 -1.26 -4.81 120.64 117.37 1aey n GLU 17 Ca 0.02 0.12 0.03 0.00 0.00 0.00 0.00 57.16 57.32 1aey n GLU 17 Cb 0.53 -2.17 -0.04 0.00 0.00 0.00 0.00 31.44 29.75 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 -2.25 0.86 -3.94 3.44 4.76 -1.26 -4.98 118.16 114.80 1aey n LYS 18 Ca 0.12 -0.05 -0.12 0.00 -2.87 0.00 0.00 58.31 55.39 1aey n LYS 18 Cb 0.51 -1.09 -0.01 0.00 -1.84 0.00 0.00 35.03 32.60 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 -2.53 0.44 0.28 4.39 1.04 -1.26 -5.00 113.70 111.05 1aey s SER 19 Ca -0.02 -1.31 0.17 0.00 0.48 0.00 0.00 55.95 55.28 1aey s SER 19 Cb 0.04 0.77 0.93 0.00 0.10 0.00 0.00 66.02 67.85 1aey s SER 19 CO 0.25 -1.51 1.50 -2.65 0.98 0.00 0.00 173.24 171.80 1aey n PRO 20 N -0.55 0.11 0.06 4.02 -0.02 -1.26 -1.46 135.00 135.91 1aey n PRO 20 Ca -0.04 0.60 -0.21 0.00 -2.02 0.00 0.00 63.50 61.83 1aey n PRO 20 Cb 0.61 -1.93 -0.14 0.00 -0.02 0.00 0.00 33.50 32.02 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 0.37 -7.41 -0.52 3.08 -1.97 -3.47 114.38 104.47 1aey h ARG 21 Ca 0.00 -0.60 -0.50 0.00 0.07 0.00 0.00 59.98 58.95 1aey h ARG 21 Cb 0.12 0.22 0.07 0.00 0.08 0.00 0.00 29.97 30.46 1aey h ARG 21 CO 0.00 1.27 0.41 -1.21 -1.07 0.00 0.00 179.97 179.38 1aey s GLU 22 N -2.58 3.22 0.05 0.04 8.01 -0.54 -2.02 118.70 124.89 1aey s GLU 22 Ca -0.12 0.63 0.01 0.00 0.01 0.00 0.00 54.97 55.50 1aey s GLU 22 Cb 0.02 -2.05 -0.03 0.00 -4.31 0.00 0.00 34.13 27.76 1aey s GLU 22 CO 0.86 -0.82 -0.06 0.14 0.01 0.00 0.00 175.26 175.39 1aey s VAL 23 N -3.25 0.46 0.59 2.63 -7.23 -0.58 -4.68 120.40 108.34 1aey s VAL 23 Ca 0.57 -1.40 -0.13 0.00 -1.81 0.00 0.00 61.98 59.21 1aey s VAL 23 Cb -0.11 -0.98 -0.05 0.00 0.56 0.00 0.00 36.38 35.80 1aey s VAL 23 CO 0.53 -0.63 1.02 0.28 -0.31 0.00 0.00 175.10 175.99 1aey s THR 24 N -2.40 4.60 -0.08 5.32 -1.32 -1.26 -4.12 115.64 116.38 1aey s THR 24 Ca -0.03 0.96 -0.13 0.00 -1.21 0.00 0.00 61.69 61.29 1aey s THR 24 Cb -0.03 -3.79 0.03 0.00 -1.51 0.00 0.00 72.50 67.20 1aey s THR 24 CO -0.03 -0.98 0.31 0.00 -2.21 0.00 0.00 174.62 171.71 1aey s MET 25 N -4.82 0.49 -0.09 7.08 0.23 -0.11 -4.93 119.30 117.14 1aey s MET 25 Ca 0.57 0.18 -0.04 0.00 -1.03 0.00 0.00 55.69 55.37 1aey s MET 25 Cb -0.11 0.23 -0.04 0.00 -1.53 0.00 0.00 34.83 33.38 1aey s MET 25 CO 0.47 -0.10 0.06 0.15 -2.03 0.00 0.00 175.02 173.57 1aey s LYS 26 N -0.45 3.17 0.09 3.16 -0.14 -1.26 -1.27 119.74 123.04 1aey s LYS 26 Ca -0.06 -0.30 -0.36 0.00 -1.36 0.00 0.00 55.97 53.90 1aey s LYS 26 Cb -0.04 -2.96 -0.16 0.00 -1.68 0.00 0.00 37.83 33.00 1aey s LYS 26 CO 0.02 0.73 1.45 1.17 -0.76 0.00 0.00 175.35 177.96 1aey n LYS 27 N 2.02 1.51 0.00 1.68 4.81 -1.16 -1.06 118.16 125.96 1aey n LYS 27 Ca -0.19 0.54 0.00 0.00 -0.87 0.00 0.00 58.31 57.80 1aey n LYS 27 Cb 0.54 -2.24 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 2.93 2.70 3.71 3.14 0.00 -0.11 -4.95 105.19 112.62 1aey n GLY 28 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.30 6.38 -0.54 1.61 1.01 -0.23 -4.69 116.67 119.92 1aey s ASP 29 Ca 0.00 2.85 -0.22 0.00 0.71 0.00 0.00 52.55 55.88 1aey s ASP 29 Cb 0.00 -2.59 0.05 0.00 1.01 0.00 0.00 42.92 41.39 1aey s ASP 29 CO 0.00 -0.99 0.83 -0.63 0.21 0.00 0.00 175.17 174.60 1aey s ILE 30 N 1.63 4.55 0.64 0.77 -1.09 -1.26 -0.64 121.20 125.81 1aey s ILE 30 Ca 0.77 0.02 0.03 0.00 -2.23 0.00 0.00 60.65 59.23 1aey s ILE 30 Cb -0.49 -4.46 0.10 0.00 -1.58 0.00 0.00 42.46 36.03 1aey s ILE 30 CO 0.33 -1.01 0.89 -0.76 -1.23 0.00 0.00 174.94 173.16 1aey s LEU 31 N 3.50 3.08 -0.39 2.97 1.43 0.57 -4.93 118.68 124.91 1aey s LEU 31 Ca 0.25 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.91 1aey s LEU 31 Cb -0.15 -2.02 0.11 0.00 0.03 0.00 0.00 46.19 44.17 1aey s LEU 31 CO 0.17 -1.57 0.14 -0.89 0.23 0.00 0.00 176.35 174.42 1aey s THR 32 N -2.92 1.98 0.01 5.49 2.01 -1.12 -2.56 115.64 118.52 1aey s THR 32 Ca 0.63 -2.45 -0.30 0.00 0.31 0.00 0.00 61.69 59.88 1aey s THR 32 Cb -0.06 -2.43 -0.03 0.00 0.01 0.00 0.00 72.50 69.98 1aey s THR 32 CO 0.41 -0.71 1.02 -0.22 -0.69 0.00 0.00 174.62 174.44 1aey s LEU 33 N 0.65 4.37 -0.18 4.42 2.96 0.11 -0.42 118.68 130.58 1aey s LEU 33 Ca 0.13 1.72 -0.15 0.00 -0.22 0.00 0.00 54.13 55.61 1aey s LEU 33 Cb -0.21 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 42.84 1aey s LEU 33 CO -0.08 -0.30 -0.26 -0.11 -1.32 0.00 0.00 176.35 174.28 1aey n LEU 34 N 3.94 1.89 -4.00 -0.68 0.00 0.28 -1.41 117.00 117.02 1aey n LEU 34 Ca 0.07 0.44 -0.31 0.00 0.00 0.00 0.00 56.01 56.21 1aey n LEU 34 Cb 0.50 -0.81 -0.15 0.00 0.00 0.00 0.00 43.42 42.96 1aey n LEU 34 CO 0.53 -0.24 -0.37 0.21 0.00 0.00 0.00 177.39 177.51 1aey s ASN 35 N -6.04 4.52 0.05 1.96 3.84 -0.24 -4.86 114.94 114.17 1aey s ASN 35 Ca -0.25 -1.81 -0.08 0.00 0.21 0.00 0.00 52.86 50.93 1aey s ASN 35 Cb 0.04 -1.49 -0.31 0.00 -0.55 0.00 0.00 41.25 38.94 1aey s ASN 35 CO 0.37 -0.32 1.05 0.77 -2.79 0.00 0.00 177.10 176.18 1aey h SER 36 N 7.73 0.55 0.00 -4.21 4.64 -1.91 -2.61 113.55 117.74 1aey h SER 36 Ca -0.10 -0.61 0.00 0.00 -0.47 0.00 0.00 61.79 60.60 1aey h SER 36 Cb 1.03 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1aey h SER 36 CO 0.49 1.49 0.00 0.35 -0.87 0.00 0.00 176.83 178.28 1aey n THR 37 N -3.58 0.00 0.14 2.95 -2.24 -1.26 -0.85 114.28 109.43 1aey n THR 37 Ca -0.12 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.67 1aey n THR 37 Cb 1.05 -0.88 0.05 0.00 -2.10 0.00 0.00 70.33 68.46 1aey n THR 37 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1aey h ASN 38 N 0.00 0.00 0.00 3.42 -0.26 -1.84 -3.48 115.58 113.42 1aey h ASN 38 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1aey h ASN 38 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1aey h ASN 38 CO 0.00 0.55 0.00 1.17 -1.06 0.00 0.00 177.43 178.09 1aey n LYS 39 N -3.28 0.00 -0.04 0.81 4.81 -0.03 -4.38 118.16 116.04 1aey n LYS 39 Ca 0.01 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.43 1aey n LYS 39 Cb 0.73 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.77 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 2.51 1.04 -4.33 3.14 9.92 -1.26 -4.55 116.55 123.02 1aey n ASP 40 Ca 0.00 0.46 -0.46 0.00 -0.53 0.00 0.00 54.79 54.26 1aey n ASP 40 Cb 0.00 -0.71 -0.04 0.00 -0.64 0.00 0.00 41.12 39.73 1aey n ASP 40 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 1aey s TRP 41 N -1.72 3.31 0.21 1.24 0.52 -1.26 -0.80 118.94 120.43 1aey s TRP 41 Ca -0.09 -1.38 -0.30 0.00 0.02 0.00 0.00 56.10 54.35 1aey s TRP 41 Cb 0.01 -3.86 -0.08 0.00 -1.15 0.00 0.00 33.47 28.39 1aey s TRP 41 CO 0.13 -1.08 0.96 -1.58 0.02 0.00 0.00 176.95 175.40 1aey s TRP 42 N 1.53 3.91 -0.14 -1.98 0.51 -0.69 -4.70 118.94 117.38 1aey s TRP 42 Ca 0.09 1.87 -0.16 0.00 -2.12 0.00 0.00 56.10 55.78 1aey s TRP 42 Cb -0.24 -3.02 -0.04 0.00 -0.81 0.00 0.00 33.47 29.35 1aey s TRP 42 CO 0.01 0.31 0.38 0.21 -0.51 0.00 0.00 176.95 177.35 1aey s LYS 43 N -0.87 4.29 0.10 4.98 2.20 -0.98 -0.96 119.74 128.50 1aey s LYS 43 Ca 0.43 0.25 0.05 0.00 -0.36 0.00 0.00 55.97 56.34 1aey s LYS 43 Cb -0.26 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.59 1aey s LYS 43 CO 0.32 0.19 -0.12 0.14 -0.36 0.00 0.00 175.35 175.52 1aey s VAL 44 N 0.58 1.12 -0.39 4.02 -7.23 0.05 -0.55 120.40 118.00 1aey s VAL 44 Ca 0.21 -1.60 -0.22 0.00 -1.81 0.00 0.00 61.98 58.55 1aey s VAL 44 Cb -0.14 -1.36 0.01 0.00 0.56 0.00 0.00 36.38 35.45 1aey s VAL 44 CO 0.07 -0.44 0.74 -0.70 -0.31 0.00 0.00 175.10 174.47 1aey s GLU 45 N -2.52 3.62 -0.18 4.82 2.12 0.44 -0.98 118.70 126.02 1aey s GLU 45 Ca 0.05 0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.50 1aey s GLU 45 Cb -0.05 -3.85 0.04 0.00 0.26 0.00 0.00 34.13 30.53 1aey s GLU 45 CO 0.02 -0.90 -0.08 0.54 -0.54 0.00 0.00 175.26 174.30 1aey s VAL 46 N 3.05 1.35 0.00 3.70 0.11 -0.22 -2.79 120.40 125.60 1aey s VAL 46 Ca 0.29 -0.78 0.00 0.00 -2.93 0.00 0.00 61.98 58.56 1aey s VAL 46 Cb -0.13 -1.47 0.00 0.00 -1.53 0.00 0.00 36.38 33.25 1aey s VAL 46 CO 0.18 0.16 0.00 0.59 -3.33 0.00 0.00 175.10 172.71 1aey n ASN 47 N 4.79 0.00 0.00 3.54 3.02 -1.26 -0.74 115.26 124.62 1aey n ASN 47 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 1aey n ASN 47 Cb 0.47 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 1aey n ASN 47 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1aey n ASP 48 N 2.33 0.00 -4.62 6.41 5.75 -1.26 -5.07 116.55 120.09 1aey n ASP 48 Ca 0.00 -1.00 -0.40 0.00 -0.01 0.00 0.00 54.79 53.38 1aey n ASP 48 Cb 0.00 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.01 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 4.06 -0.73 0.11 6.06 0.09 -5.03 118.95 123.51 1aey s ARG 49 Ca 0.00 0.22 -0.23 0.00 -2.50 0.00 0.00 55.73 53.22 1aey s ARG 49 Cb 0.00 -3.65 0.07 0.00 0.06 0.00 0.00 34.95 31.44 1aey s ARG 49 CO 0.00 -0.31 1.06 -0.65 -2.50 0.00 0.00 175.30 172.90 1aey s GLN 50 N 2.16 3.21 0.27 5.12 -0.21 -1.26 -1.05 119.66 127.90 1aey s GLN 50 Ca 0.19 -0.89 -0.01 0.00 0.02 0.00 0.00 55.36 54.67 1aey s GLN 50 Cb -0.16 -4.37 -0.02 0.00 1.00 0.00 0.00 33.01 29.46 1aey s GLN 50 CO 0.09 -1.88 0.30 0.20 -2.12 0.00 0.00 175.29 171.88 1aey s GLY 51 N 3.76 1.50 0.12 3.09 0.00 -0.16 -4.93 107.32 110.70 1aey s GLY 51 Ca 0.27 -1.61 -0.14 0.00 0.00 0.00 0.00 44.72 43.24 1aey s GLY 51 CO 0.07 -1.19 0.52 -1.36 0.00 0.00 0.00 173.10 171.14 1aey s PHE 52 N -3.72 3.63 0.10 1.90 0.08 -0.86 -0.77 117.98 118.34 1aey s PHE 52 Ca 0.35 1.05 0.06 0.00 0.12 0.00 0.00 56.93 58.50 1aey s PHE 52 Cb 0.03 -2.35 -0.03 0.00 -0.57 0.00 0.00 43.02 40.09 1aey s PHE 52 CO 0.17 0.47 -0.15 0.14 -0.10 0.00 0.00 175.22 175.76 1aey s VAL 53 N -1.39 1.27 -0.08 -0.44 -7.23 -0.13 -1.53 120.40 110.88 1aey s VAL 53 Ca 0.35 -1.55 -0.29 0.00 -1.81 0.00 0.00 61.98 58.67 1aey s VAL 53 Cb -0.15 -1.37 -0.07 0.00 0.56 0.00 0.00 36.38 35.35 1aey s VAL 53 CO 0.19 -0.32 1.92 -2.84 -0.31 0.00 0.00 175.10 173.74 1aey s PRO 54 N -2.28 3.86 0.45 4.82 0.02 -1.26 -1.71 135.00 138.90 1aey s PRO 54 Ca 0.05 2.27 0.24 0.00 0.02 0.00 0.00 61.00 63.57 1aey s PRO 54 Cb -0.07 -4.16 1.24 0.00 0.02 0.00 0.00 34.50 31.52 1aey s PRO 54 CO 0.03 -1.25 1.80 0.00 -0.33 0.00 0.00 177.00 177.24 1aey h ALA 55 N 11.47 2.48 -0.78 -1.55 0.00 -1.21 -0.85 119.26 128.84 1aey h ALA 55 Ca -0.44 0.03 0.12 0.00 0.00 0.00 0.00 54.91 54.62 1aey h ALA 55 Cb 1.22 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.96 1aey h ALA 55 CO 0.96 -0.85 0.38 0.00 0.00 0.00 0.00 179.25 179.73 1aey h ALA 56 N 1.57 1.11 -0.33 0.00 0.00 -1.87 -2.86 119.26 116.89 1aey h ALA 56 Ca 0.56 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.55 1aey h ALA 56 Cb 1.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1aey h ALA 56 CO -0.19 -0.08 0.00 0.66 0.00 0.00 0.00 179.25 179.63 1aey n TYR 57 N -4.89 0.43 -5.20 0.00 4.01 -0.32 -4.82 117.16 106.37 1aey n TYR 57 Ca 0.14 -0.21 -0.31 0.00 -0.16 0.00 0.00 57.90 57.36 1aey n TYR 57 Cb 0.36 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.22 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 -1.57 1.95 -0.36 -0.72 -7.23 -1.08 -0.68 120.40 110.71 1aey s VAL 58 Ca 0.30 -1.02 -0.10 0.00 -1.81 0.00 0.00 61.98 59.35 1aey s VAL 58 Cb 0.16 -1.65 0.03 0.00 0.56 0.00 0.00 36.38 35.48 1aey s VAL 58 CO 0.22 0.55 0.19 -0.75 -0.31 0.00 0.00 175.10 175.00 1aey s LYS 59 N -0.19 2.86 0.10 4.82 2.20 -0.06 -4.93 119.74 124.53 1aey s LYS 59 Ca -0.02 -1.05 -0.31 0.00 -0.36 0.00 0.00 55.97 54.23 1aey s LYS 59 Cb -0.13 -3.68 -0.08 0.00 -1.51 0.00 0.00 37.83 32.43 1aey s LYS 59 CO 0.03 -0.67 1.42 0.21 -0.36 0.00 0.00 175.35 175.98 1aey s LYS 60 N 1.54 4.30 -0.06 4.03 2.20 -1.26 -0.62 119.74 129.88 1aey s LYS 60 Ca 0.02 2.09 -0.22 0.00 -0.36 0.00 0.00 55.97 57.50 1aey s LYS 60 Cb -0.19 -3.32 -0.31 0.00 -1.51 0.00 0.00 37.83 32.50 1aey s LYS 60 CO 0.06 -0.49 0.85 -0.07 -0.36 0.00 0.00 175.35 175.34 1aey h LEU 61 N 7.17 0.44 -0.97 5.43 3.38 -1.47 -3.47 115.31 125.82 1aey h LEU 61 Ca -0.41 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 56.61 1aey h LEU 61 Cb 1.20 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1aey h LEU 61 CO 0.88 1.40 0.00 0.47 0.09 0.00 0.00 178.44 181.28