#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 1.65 0.98 1.61 -0.14 -1.25 -4.38 119.74 118.21 1aey s LYS 6 Ca 0.00 -2.50 -0.16 0.00 -1.36 0.00 0.00 55.97 51.94 1aey s LYS 6 Cb 0.00 -2.61 0.21 0.00 -1.68 0.00 0.00 37.83 33.75 1aey s LYS 6 CO 0.00 -1.23 1.32 -1.21 -0.76 0.00 0.00 175.35 173.47 1aey s GLU 7 N -0.32 0.50 -0.01 1.68 8.01 -0.07 -4.74 118.70 123.75 1aey s GLU 7 Ca 0.22 -0.42 0.04 0.00 0.01 0.00 0.00 54.97 54.82 1aey s GLU 7 Cb -0.13 -1.83 -0.01 0.00 -4.31 0.00 0.00 34.13 27.85 1aey s GLU 7 CO -0.09 -2.51 -0.13 -0.51 0.01 0.00 0.00 175.26 172.04 1aey s LEU 8 N -5.95 1.99 0.03 1.80 2.01 -0.03 0.05 118.68 118.58 1aey s LEU 8 Ca 0.74 -0.24 -0.05 0.00 0.01 0.00 0.00 54.13 54.60 1aey s LEU 8 Cb -0.04 -0.69 -0.01 0.00 0.01 0.00 0.00 46.19 45.46 1aey s LEU 8 CO 0.53 0.15 0.08 0.68 1.01 0.00 0.00 176.35 178.80 1aey s VAL 9 N -0.23 0.12 -0.19 -1.59 -7.23 -0.71 -0.80 120.40 109.76 1aey s VAL 9 Ca 0.04 -1.01 -0.09 0.00 -1.81 0.00 0.00 61.98 59.10 1aey s VAL 9 Cb -0.06 -0.72 -0.05 0.00 0.56 0.00 0.00 36.38 36.12 1aey s VAL 9 CO -0.00 -0.56 0.13 -0.22 -0.31 0.00 0.00 175.10 174.14 1aey s LEU 10 N -1.89 4.21 -0.30 1.32 1.98 -0.14 -0.38 118.68 123.48 1aey s LEU 10 Ca -0.08 0.25 -0.29 0.00 -2.89 0.00 0.00 54.13 51.12 1aey s LEU 10 Cb -0.04 -2.08 0.01 0.00 0.66 0.00 0.00 46.19 44.75 1aey s LEU 10 CO -0.03 0.21 1.07 0.00 -1.89 0.00 0.00 176.35 175.72 1aey s ALA 11 N 0.16 3.54 0.10 5.97 0.00 0.10 -2.34 121.76 129.30 1aey s ALA 11 Ca 0.09 0.01 -0.00 0.00 0.00 0.00 0.00 51.96 52.05 1aey s ALA 11 Cb -0.11 -3.64 -0.22 0.00 0.00 0.00 0.00 23.12 19.14 1aey s ALA 11 CO -0.01 -1.38 1.22 -0.07 0.00 0.00 0.00 175.76 175.52 1aey h LEU 12 N 9.94 0.29 -8.17 0.00 3.38 -1.03 0.75 115.31 120.47 1aey h LEU 12 Ca -0.20 -0.30 -0.17 0.00 0.09 0.00 0.00 57.88 57.30 1aey h LEU 12 Cb 1.06 -0.09 -0.18 0.00 0.09 0.00 0.00 40.66 41.54 1aey h LEU 12 CO 1.02 1.21 -0.70 -0.31 0.09 0.00 0.00 178.44 179.75 1aey s TYR 13 N -2.77 0.51 -0.17 1.13 2.02 -1.25 -4.71 117.35 112.10 1aey s TYR 13 Ca -0.03 -0.78 -0.29 0.00 -0.37 0.00 0.00 57.07 55.60 1aey s TYR 13 Cb 0.08 -0.34 -0.00 0.00 -0.40 0.00 0.00 41.96 41.30 1aey s TYR 13 CO 0.86 -0.24 1.06 -0.51 -1.57 0.00 0.00 175.55 175.15 1aey s ASP 14 N -2.25 7.13 -0.06 2.29 1.11 -1.26 -3.26 116.67 120.36 1aey s ASP 14 Ca -0.03 1.49 0.02 0.00 0.18 0.00 0.00 52.55 54.22 1aey s ASP 14 Cb -0.01 -2.55 0.01 0.00 1.07 0.00 0.00 42.92 41.44 1aey s ASP 14 CO -0.05 -0.60 -0.12 -0.47 1.18 0.00 0.00 175.17 175.11 1aey s TYR 15 N 2.79 1.44 -0.13 4.23 5.04 -0.33 -4.87 117.35 125.52 1aey s TYR 15 Ca 0.47 -0.52 -0.12 0.00 -2.44 0.00 0.00 57.07 54.47 1aey s TYR 15 Cb -0.17 -1.05 -0.05 0.00 0.35 0.00 0.00 41.96 41.04 1aey s TYR 15 CO 0.12 -0.26 0.24 -1.14 -1.34 0.00 0.00 175.55 173.17 1aey s GLN 16 N 0.60 3.98 0.42 4.97 0.74 -1.26 -0.79 119.66 128.32 1aey s GLN 16 Ca -0.13 0.03 -0.24 0.00 0.05 0.00 0.00 55.36 55.07 1aey s GLN 16 Cb -0.15 -3.33 -0.10 0.00 1.10 0.00 0.00 33.01 30.52 1aey s GLN 16 CO 0.03 0.46 1.03 -0.85 -0.55 0.00 0.00 175.29 175.41 1aey n GLU 17 N 2.88 1.38 -0.13 1.67 0.28 -1.26 -4.86 120.64 120.60 1aey n GLU 17 Ca -0.15 0.50 -0.28 0.00 -0.16 0.00 0.00 57.16 57.07 1aey n GLU 17 Cb 0.53 -2.06 -0.09 0.00 1.43 0.00 0.00 31.44 31.24 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 0.14 0.54 -3.80 3.44 5.02 -1.26 -4.95 118.16 117.29 1aey n LYS 18 Ca 0.09 0.24 -0.21 0.00 -2.02 0.00 0.00 58.31 56.41 1aey n LYS 18 Cb 0.39 -1.41 -0.03 0.00 -0.02 0.00 0.00 35.03 33.96 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 -7.31 5.31 0.52 4.39 1.04 -1.26 -5.00 113.70 111.40 1aey s SER 19 Ca -0.36 -0.48 0.33 0.00 0.48 0.00 0.00 55.95 55.92 1aey s SER 19 Cb 0.14 -0.98 1.80 0.00 0.10 0.00 0.00 66.02 67.08 1aey s SER 19 CO 0.45 -0.36 2.01 1.55 0.98 0.00 0.00 173.24 177.87 1aey h PRO 20 N 1.23 0.00 0.17 4.02 0.13 -2.03 -2.04 132.00 133.48 1aey h PRO 20 Ca -0.45 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.38 1aey h PRO 20 Cb 1.25 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.40 1aey h PRO 20 CO 0.58 0.00 -1.31 -0.09 -0.23 0.00 0.00 178.00 176.95 1aey h ARG 21 N 0.00 0.43 -7.29 0.86 2.43 -1.97 -3.44 114.38 105.40 1aey h ARG 21 Ca 0.00 -0.69 -0.49 0.00 -0.81 0.00 0.00 59.98 57.98 1aey h ARG 21 Cb 0.11 0.25 0.04 0.00 -0.42 0.00 0.00 29.97 29.96 1aey h ARG 21 CO 0.00 1.32 0.40 -1.21 -1.51 0.00 0.00 179.97 178.97 1aey s GLU 22 N -2.72 3.70 0.08 0.20 8.01 -0.77 -1.74 118.70 125.46 1aey s GLU 22 Ca -0.07 0.85 0.03 0.00 0.01 0.00 0.00 54.97 55.79 1aey s GLU 22 Cb 0.06 -2.10 -0.03 0.00 -4.31 0.00 0.00 34.13 27.75 1aey s GLU 22 CO 0.91 -0.48 -0.09 0.14 0.01 0.00 0.00 175.26 175.75 1aey s VAL 23 N -2.94 0.78 0.42 2.63 -7.23 -0.66 -4.66 120.40 108.75 1aey s VAL 23 Ca 0.57 -1.46 -0.22 0.00 -1.81 0.00 0.00 61.98 59.06 1aey s VAL 23 Cb -0.11 -1.13 -0.11 0.00 0.56 0.00 0.00 36.38 35.60 1aey s VAL 23 CO 0.45 -0.51 0.96 -0.89 -0.31 0.00 0.00 175.10 174.79 1aey s THR 24 N -2.15 4.33 0.09 5.32 2.01 -1.26 -4.06 115.64 119.92 1aey s THR 24 Ca 0.00 1.50 -0.09 0.00 0.31 0.00 0.00 61.69 63.41 1aey s THR 24 Cb -0.05 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.83 1aey s THR 24 CO -0.00 -0.26 0.21 0.00 -0.69 0.00 0.00 174.62 173.87 1aey s MET 25 N -3.06 0.85 0.44 4.92 0.23 0.03 -4.92 119.30 117.79 1aey s MET 25 Ca 0.61 -0.90 0.02 0.00 -1.03 0.00 0.00 55.69 54.39 1aey s MET 25 Cb -0.11 0.35 0.00 0.00 -1.53 0.00 0.00 34.83 33.55 1aey s MET 25 CO 0.15 -0.27 0.64 0.15 -2.03 0.00 0.00 175.02 173.65 1aey s LYS 26 N -3.74 2.97 0.66 3.16 1.02 -1.26 -1.19 119.74 121.36 1aey s LYS 26 Ca 0.04 -0.71 -0.17 0.00 0.02 0.00 0.00 55.97 55.15 1aey s LYS 26 Cb 0.04 -2.62 0.00 0.00 -0.52 0.00 0.00 37.83 34.73 1aey s LYS 26 CO -0.10 -0.27 1.26 0.21 -0.92 0.00 0.00 175.35 175.52 1aey s LYS 27 N -4.49 2.48 0.00 1.68 2.20 -1.20 -3.50 119.74 116.90 1aey s LYS 27 Ca 0.50 1.97 0.00 0.00 -0.36 0.00 0.00 55.97 58.07 1aey s LYS 27 Cb -0.10 -1.85 0.00 0.00 -1.51 0.00 0.00 37.83 34.37 1aey s LYS 27 CO 0.36 -1.63 0.00 0.41 -0.36 0.00 0.00 175.35 174.13 1aey n GLY 28 N 0.74 3.10 3.77 5.54 0.00 0.26 -4.91 105.19 113.68 1aey n GLY 28 Ca 0.15 0.00 -0.41 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 0.10 3.57 -4.31 1.61 8.00 -1.23 -4.69 116.55 119.61 1aey n ASP 29 Ca 0.00 1.19 -0.46 0.00 0.71 0.00 0.00 54.79 56.23 1aey n ASP 29 Cb 0.00 -1.61 -0.04 0.00 -0.02 0.00 0.00 41.12 39.45 1aey n ASP 29 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1aey s ILE 30 N -1.15 5.29 0.48 0.53 -4.36 -1.26 -0.72 121.20 120.00 1aey s ILE 30 Ca 0.56 -2.03 -0.09 0.00 -0.26 0.00 0.00 60.65 58.84 1aey s ILE 30 Cb -0.47 -4.33 -0.05 0.00 1.25 0.00 0.00 42.46 38.86 1aey s ILE 30 CO 0.61 -0.94 0.83 -0.76 0.24 0.00 0.00 174.94 174.92 1aey s LEU 31 N 0.85 3.64 -0.36 0.37 1.43 0.48 -4.91 118.68 120.18 1aey s LEU 31 Ca 0.11 1.11 -0.03 0.00 -1.03 0.00 0.00 54.13 54.29 1aey s LEU 31 Cb -0.20 -4.06 0.08 0.00 0.03 0.00 0.00 46.19 42.04 1aey s LEU 31 CO -0.03 -0.56 0.12 -0.89 0.23 0.00 0.00 176.35 175.23 1aey s THR 32 N -2.67 3.32 -0.08 5.49 2.01 -1.14 -1.75 115.64 120.83 1aey s THR 32 Ca 0.51 -1.66 -0.23 0.00 0.31 0.00 0.00 61.69 60.62 1aey s THR 32 Cb -0.10 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 1aey s THR 32 CO 0.41 -0.41 0.68 -0.22 -0.69 0.00 0.00 174.62 174.39 1aey s LEU 33 N 1.23 4.31 -0.20 4.42 2.96 0.11 -0.10 118.68 131.41 1aey s LEU 33 Ca 0.02 1.15 -0.15 0.00 -0.22 0.00 0.00 54.13 54.92 1aey s LEU 33 Cb -0.21 -3.05 -0.10 0.00 0.50 0.00 0.00 46.19 43.33 1aey s LEU 33 CO -0.02 -0.12 -0.17 -0.11 -1.32 0.00 0.00 176.35 174.62 1aey n LEU 34 N 3.83 1.89 -3.71 -0.68 0.00 0.28 -0.89 117.00 117.72 1aey n LEU 34 Ca -0.02 0.44 -0.13 0.00 0.00 0.00 0.00 56.01 56.31 1aey n LEU 34 Cb 0.51 -0.85 -0.13 0.00 0.00 0.00 0.00 43.42 42.95 1aey n LEU 34 CO 0.47 -0.01 -0.15 0.21 0.00 0.00 0.00 177.39 177.91 1aey s ASN 35 N -6.44 -0.06 0.00 1.96 2.47 -0.15 -4.13 114.94 108.58 1aey s ASN 35 Ca -0.27 0.49 0.12 0.00 0.42 0.00 0.00 52.86 53.62 1aey s ASN 35 Cb 0.06 0.42 -0.08 0.00 -1.45 0.00 0.00 41.25 40.21 1aey s ASN 35 CO 0.42 -0.18 0.57 -1.54 -3.72 0.00 0.00 177.10 172.65 1aey n SER 36 N 4.50 0.86 0.07 -4.21 3.41 -1.26 -0.74 113.62 116.25 1aey n SER 36 Ca -0.21 -0.93 0.18 0.00 -0.26 0.00 0.00 58.87 57.66 1aey n SER 36 Cb 0.52 0.79 0.71 0.00 -0.26 0.00 0.00 64.21 65.97 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 0.53 0.69 -0.78 6.66 1.35 -1.96 -3.26 112.91 116.14 1aey h THR 37 Ca 0.00 0.00 -0.65 0.00 -0.55 0.00 0.00 66.41 65.21 1aey h THR 37 Cb 0.32 0.77 -0.07 0.00 -1.73 0.00 0.00 68.15 67.44 1aey h THR 37 CO 0.00 0.00 2.16 0.59 -0.25 0.00 0.00 175.52 178.02 1aey n ASN 38 N -4.25 4.72 -0.50 5.36 4.13 -1.26 -4.83 115.26 118.63 1aey n ASN 38 Ca 0.07 -2.90 0.41 0.00 1.68 0.00 0.00 54.58 53.84 1aey n ASN 38 Cb 0.51 -1.74 0.70 0.00 -1.54 0.00 0.00 39.78 37.71 1aey n ASN 38 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 1aey h LYS 39 N 7.67 0.05 0.05 3.52 2.10 -1.97 0.73 116.57 128.72 1aey h LYS 39 Ca 0.44 -0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.78 1aey h LYS 39 Cb 0.86 -0.01 -0.04 0.00 -0.90 0.00 0.00 32.23 32.15 1aey h LYS 39 CO 1.46 0.03 -1.73 -0.44 -2.00 0.00 0.00 179.45 176.78 1aey h ASP 40 N 0.05 0.15 -3.07 7.07 3.32 -1.88 -3.43 116.42 118.63 1aey h ASP 40 Ca 0.84 -0.31 -0.57 0.00 0.02 0.00 0.00 57.03 57.02 1aey h ASP 40 Cb 2.87 -0.05 -0.40 0.00 0.22 0.00 0.00 39.33 41.97 1aey h ASP 40 CO -0.31 1.27 -0.76 0.26 -1.72 0.00 0.00 179.24 177.98 1aey s TRP 41 N -2.60 1.39 0.12 4.55 0.52 0.25 -1.27 118.94 121.90 1aey s TRP 41 Ca -0.09 -1.54 -0.27 0.00 0.02 0.00 0.00 56.10 54.22 1aey s TRP 41 Cb 0.08 -1.53 -0.07 0.00 -1.15 0.00 0.00 33.47 30.80 1aey s TRP 41 CO 0.81 -0.87 0.84 -1.58 0.02 0.00 0.00 176.95 176.17 1aey s TRP 42 N 1.73 3.83 -0.18 -1.98 0.51 -0.75 -4.50 118.94 117.60 1aey s TRP 42 Ca 0.10 1.65 -0.19 0.00 -2.12 0.00 0.00 56.10 55.54 1aey s TRP 42 Cb -0.17 -2.88 -0.03 0.00 -0.81 0.00 0.00 33.47 29.58 1aey s TRP 42 CO -0.28 0.34 0.54 0.21 -0.51 0.00 0.00 176.95 177.26 1aey s LYS 43 N -0.47 4.23 0.09 4.98 2.20 0.08 -0.91 119.74 129.94 1aey s LYS 43 Ca 0.40 0.48 0.05 0.00 -0.36 0.00 0.00 55.97 56.54 1aey s LYS 43 Cb -0.23 -3.54 -0.03 0.00 -1.51 0.00 0.00 37.83 32.53 1aey s LYS 43 CO 0.27 -0.10 -0.13 0.14 -0.36 0.00 0.00 175.35 175.16 1aey s VAL 44 N 1.47 1.11 -0.40 4.02 -7.23 0.16 -0.55 120.40 118.98 1aey s VAL 44 Ca 0.26 -1.44 -0.29 0.00 -1.81 0.00 0.00 61.98 58.70 1aey s VAL 44 Cb -0.16 -1.20 0.02 0.00 0.56 0.00 0.00 36.38 35.61 1aey s VAL 44 CO 0.10 -0.33 1.11 -0.70 -0.31 0.00 0.00 175.10 174.97 1aey s GLU 45 N -2.11 3.89 -0.13 4.82 2.12 0.86 -0.43 118.70 127.72 1aey s GLU 45 Ca 0.01 0.81 -0.03 0.00 0.36 0.00 0.00 54.97 56.13 1aey s GLU 45 Cb -0.08 -3.82 0.05 0.00 0.26 0.00 0.00 34.13 30.54 1aey s GLU 45 CO 0.02 -1.15 0.05 0.54 -0.54 0.00 0.00 175.26 174.19 1aey s VAL 46 N 4.06 0.13 0.00 3.70 0.11 0.13 -2.88 120.40 125.65 1aey s VAL 46 Ca 0.47 -0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.46 1aey s VAL 46 Cb -0.10 -0.56 0.00 0.00 -1.53 0.00 0.00 36.38 34.19 1aey s VAL 46 CO 0.24 -0.05 0.00 -3.20 -3.33 0.00 0.00 175.10 168.76 1aey n ASN 47 N 5.21 0.00 0.00 3.54 5.15 -1.26 -1.55 115.26 126.35 1aey n ASN 47 Ca -0.06 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.92 1aey n ASN 47 Cb 0.49 0.00 0.00 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 1.91 1.41 -4.12 1.20 5.75 -1.26 -5.10 116.55 116.34 1aey n ASP 48 Ca 0.00 -0.07 -0.16 0.00 -0.01 0.00 0.00 54.79 54.55 1aey n ASP 48 Cb 0.00 0.42 -0.12 0.00 -1.03 0.00 0.00 41.12 40.39 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 -0.70 0.69 -0.79 0.11 0.52 -0.59 -5.09 118.95 113.10 1aey s ARG 49 Ca 0.00 -0.85 -0.17 0.00 -0.52 0.00 0.00 55.73 54.19 1aey s ARG 49 Cb 0.00 -0.59 0.16 0.00 0.52 0.00 0.00 34.95 35.04 1aey s ARG 49 CO 0.00 0.12 0.86 -0.65 0.02 0.00 0.00 175.30 175.65 1aey s GLN 50 N -1.63 3.43 0.21 3.54 1.11 -1.26 -0.69 119.66 124.38 1aey s GLN 50 Ca -0.05 -1.90 -0.02 0.00 0.01 0.00 0.00 55.36 53.39 1aey s GLN 50 Cb -0.10 -4.53 -0.04 0.00 -1.01 0.00 0.00 33.01 27.33 1aey s GLN 50 CO 0.01 -1.51 0.18 0.20 0.01 0.00 0.00 175.29 174.18 1aey s GLY 51 N 3.07 1.39 0.04 3.09 0.00 0.43 -4.88 107.32 110.47 1aey s GLY 51 Ca 0.20 -1.63 -0.21 0.00 0.00 0.00 0.00 44.72 43.08 1aey s GLY 51 CO -0.05 -1.32 0.62 -1.36 0.00 0.00 0.00 173.10 170.99 1aey s PHE 52 N -4.10 3.75 0.13 1.90 0.08 -0.71 -0.66 117.98 118.36 1aey s PHE 52 Ca 0.37 1.29 0.10 0.00 0.12 0.00 0.00 56.93 58.81 1aey s PHE 52 Cb 0.06 -2.61 -0.04 0.00 -0.57 0.00 0.00 43.02 39.86 1aey s PHE 52 CO 0.13 0.43 -0.26 0.14 -0.10 0.00 0.00 175.22 175.56 1aey s VAL 53 N -0.54 2.15 -0.14 -0.44 -7.23 -0.09 -1.65 120.40 112.46 1aey s VAL 53 Ca 0.32 -1.74 -0.32 0.00 -1.81 0.00 0.00 61.98 58.43 1aey s VAL 53 Cb -0.19 -1.92 -0.10 0.00 0.56 0.00 0.00 36.38 34.73 1aey s VAL 53 CO 0.19 0.04 2.03 -2.65 -0.31 0.00 0.00 175.10 174.41 1aey n PRO 54 N 0.89 2.08 -0.15 4.82 -0.02 -1.26 -1.80 135.00 139.57 1aey n PRO 54 Ca -0.18 0.70 0.22 0.00 -2.02 0.00 0.00 63.50 62.22 1aey n PRO 54 Cb 0.53 -2.83 0.62 0.00 -0.02 0.00 0.00 33.50 31.80 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 11.45 2.46 -0.54 3.55 0.00 -1.45 -0.05 119.26 134.68 1aey h ALA 55 Ca -0.44 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.53 1aey h ALA 55 Cb 1.27 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 1aey h ALA 55 CO 0.96 -0.69 0.36 0.00 0.00 0.00 0.00 179.25 179.88 1aey h ALA 56 N 1.63 1.89 -0.60 0.00 0.00 -1.86 -2.80 119.26 117.53 1aey h ALA 56 Ca 0.38 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 1aey h ALA 56 Cb 1.24 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1aey h ALA 56 CO -0.07 0.02 0.06 0.66 0.00 0.00 0.00 179.25 179.92 1aey n TYR 57 N -4.47 2.13 -4.14 0.00 4.01 -0.03 -4.88 117.16 109.77 1aey n TYR 57 Ca 0.07 -0.81 -0.17 0.00 -0.16 0.00 0.00 57.90 56.84 1aey n TYR 57 Cb 0.25 -0.55 -0.12 0.00 -0.31 0.00 0.00 39.34 38.62 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 -2.77 0.90 -0.00 -0.72 -7.23 -1.06 -0.41 120.40 109.12 1aey s VAL 58 Ca 0.54 -1.20 0.03 0.00 -1.81 0.00 0.00 61.98 59.54 1aey s VAL 58 Cb 0.41 -0.90 -0.01 0.00 0.56 0.00 0.00 36.38 36.45 1aey s VAL 58 CO 0.15 -0.26 -0.08 -0.54 -0.31 0.00 0.00 175.10 174.06 1aey s LYS 59 N -1.63 0.65 0.42 4.82 1.02 -0.99 -4.95 119.74 119.08 1aey s LYS 59 Ca -0.05 -0.33 -0.23 0.00 0.02 0.00 0.00 55.97 55.38 1aey s LYS 59 Cb -0.10 -0.61 -0.11 0.00 -0.52 0.00 0.00 37.83 36.49 1aey s LYS 59 CO 0.02 0.17 0.81 1.17 -0.92 0.00 0.00 175.35 176.59 1aey n LYS 60 N 2.75 0.97 -0.07 1.68 3.00 -1.26 -0.96 118.16 124.27 1aey n LYS 60 Ca -0.14 0.35 -0.11 0.00 -0.00 0.00 0.00 58.31 58.41 1aey n LYS 60 Cb 0.57 -1.80 -0.04 0.00 0.00 0.00 0.00 35.03 33.76 1aey n LYS 60 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1aey n LEU 61 N 0.79 1.61 0.00 3.14 4.77 0.02 -4.64 117.00 122.69 1aey n LEU 61 Ca 0.11 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1aey n LEU 61 Cb 0.39 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1aey n LEU 61 CO 0.56 -0.13 0.12 0.47 -1.33 0.00 0.00 177.39 177.07