#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 3.77 -1.85 1.61 5.02 -1.26 -5.13 118.16 120.32 1aey n LYS 6 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 1aey n LYS 6 Cb 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.10 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 3.23 1.92 -0.02 1.97 0.41 -1.09 -4.91 118.70 120.21 1aey s GLU 7 Ca 0.00 0.16 -0.08 0.00 -0.41 0.00 0.00 54.97 54.64 1aey s GLU 7 Cb 0.00 -1.94 0.01 0.00 -1.78 0.00 0.00 34.13 30.42 1aey s GLU 7 CO 0.00 -1.64 0.18 -0.48 -0.49 0.00 0.00 175.26 172.83 1aey s LEU 8 N -5.62 1.38 -0.00 1.80 2.34 -1.26 -0.73 118.68 116.58 1aey s LEU 8 Ca 0.62 -0.00 0.01 0.00 0.06 0.00 0.00 54.13 54.82 1aey s LEU 8 Cb -0.11 0.75 0.00 0.00 -0.56 0.00 0.00 46.19 46.26 1aey s LEU 8 CO 0.50 -0.29 -0.02 0.68 -1.06 0.00 0.00 176.35 176.15 1aey s VAL 9 N -0.95 0.20 0.03 1.48 -7.23 -0.54 -1.58 120.40 111.81 1aey s VAL 9 Ca -0.10 -0.09 -0.22 0.00 -1.81 0.00 0.00 61.98 59.76 1aey s VAL 9 Cb -0.06 -0.19 -0.06 0.00 0.56 0.00 0.00 36.38 36.64 1aey s VAL 9 CO 0.02 0.07 0.65 -0.22 -0.31 0.00 0.00 175.10 175.30 1aey s LEU 10 N 0.06 4.45 -0.20 1.32 2.96 0.21 -0.60 118.68 126.88 1aey s LEU 10 Ca -0.00 1.29 -0.29 0.00 -0.22 0.00 0.00 54.13 54.91 1aey s LEU 10 Cb -0.02 -3.03 0.00 0.00 0.50 0.00 0.00 46.19 43.64 1aey s LEU 10 CO -0.00 0.11 1.03 0.00 -1.32 0.00 0.00 176.35 176.16 1aey s ALA 11 N -0.35 3.62 0.05 5.97 0.00 0.52 -0.91 121.76 130.66 1aey s ALA 11 Ca 0.33 0.22 -0.11 0.00 0.00 0.00 0.00 51.96 52.39 1aey s ALA 11 Cb -0.19 -3.52 -0.33 0.00 0.00 0.00 0.00 23.12 19.08 1aey s ALA 11 CO 0.20 -0.94 1.06 -0.07 0.00 0.00 0.00 175.76 176.00 1aey h LEU 12 N 9.10 0.69 -8.65 0.00 3.38 -1.00 -0.06 115.31 118.77 1aey h LEU 12 Ca -0.22 -0.74 -0.30 0.00 0.09 0.00 0.00 57.88 56.71 1aey h LEU 12 Cb 1.08 -0.23 -0.15 0.00 0.09 0.00 0.00 40.66 41.46 1aey h LEU 12 CO 0.95 1.58 -0.68 -0.31 0.09 0.00 0.00 178.44 180.07 1aey s TYR 13 N -2.63 1.21 -0.32 1.13 2.02 -1.22 -4.75 117.35 112.80 1aey s TYR 13 Ca -0.07 -0.93 -0.29 0.00 -0.37 0.00 0.00 57.07 55.41 1aey s TYR 13 Cb 0.05 -0.68 0.01 0.00 -0.40 0.00 0.00 41.96 40.94 1aey s TYR 13 CO 0.92 -0.11 1.26 -0.51 -1.57 0.00 0.00 175.55 175.54 1aey s ASP 14 N -3.17 6.70 -0.19 2.29 1.01 -1.26 -3.63 116.67 118.42 1aey s ASP 14 Ca 0.21 1.11 -0.05 0.00 0.71 0.00 0.00 52.55 54.53 1aey s ASP 14 Cb 0.05 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.41 1aey s ASP 14 CO 0.02 -1.08 -0.00 -0.47 0.21 0.00 0.00 175.17 173.85 1aey s TYR 15 N 4.31 3.04 -0.16 4.23 5.04 -0.13 -4.89 117.35 128.79 1aey s TYR 15 Ca 0.54 -0.43 -0.06 0.00 -2.44 0.00 0.00 57.07 54.68 1aey s TYR 15 Cb -0.15 -2.07 -0.04 0.00 0.35 0.00 0.00 41.96 40.05 1aey s TYR 15 CO 0.23 -0.20 0.05 -0.65 -1.34 0.00 0.00 175.55 173.63 1aey s GLN 16 N 0.90 3.80 0.52 4.97 1.11 -1.26 -0.77 119.66 128.93 1aey s GLN 16 Ca 0.01 -0.35 -0.21 0.00 0.01 0.00 0.00 55.36 54.82 1aey s GLN 16 Cb -0.14 -3.13 -0.08 0.00 -1.01 0.00 0.00 33.01 28.64 1aey s GLN 16 CO 0.02 0.36 0.88 -0.85 0.01 0.00 0.00 175.29 175.71 1aey n GLU 17 N 3.26 0.99 -0.01 2.91 0.28 -1.26 -4.90 120.64 121.91 1aey n GLU 17 Ca -0.17 0.37 0.04 0.00 -0.16 0.00 0.00 57.16 57.23 1aey n GLU 17 Cb 0.53 -2.01 -0.07 0.00 1.43 0.00 0.00 31.44 31.31 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 -0.33 0.57 -4.13 3.44 4.76 -1.26 -4.98 118.16 116.23 1aey n LYS 18 Ca 0.12 -0.08 -0.11 0.00 -2.87 0.00 0.00 58.31 55.37 1aey n LYS 18 Cb 0.44 -1.23 -0.09 0.00 -1.84 0.00 0.00 35.03 32.31 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 -3.24 0.14 0.45 4.39 1.04 -1.26 -5.03 113.70 110.19 1aey s SER 19 Ca -0.04 -1.21 0.22 0.00 0.48 0.00 0.00 55.95 55.41 1aey s SER 19 Cb 0.06 0.40 1.22 0.00 0.10 0.00 0.00 66.02 67.79 1aey s SER 19 CO 0.40 -0.86 1.85 -0.65 0.98 0.00 0.00 173.24 174.95 1aey h PRO 20 N 2.62 0.27 0.00 4.02 0.11 -2.03 -1.71 132.00 135.28 1aey h PRO 20 Ca -0.34 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.60 1aey h PRO 20 Cb 1.23 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1aey h PRO 20 CO 0.51 0.18 -0.72 0.07 -0.21 0.00 0.00 178.00 177.83 1aey h ARG 21 N 0.28 0.00 -7.36 1.05 0.11 -1.97 -3.44 114.38 103.04 1aey h ARG 21 Ca 0.49 0.00 -0.51 0.00 0.10 0.00 0.00 59.98 60.06 1aey h ARG 21 Cb 1.43 0.00 0.06 0.00 1.11 0.00 0.00 29.97 32.57 1aey h ARG 21 CO -0.15 0.72 0.41 -1.21 0.10 0.00 0.00 179.97 179.85 1aey s GLU 22 N -2.90 3.49 0.02 0.08 8.01 -0.64 -0.93 118.70 125.82 1aey s GLU 22 Ca 0.02 0.76 -0.01 0.00 0.01 0.00 0.00 54.97 55.75 1aey s GLU 22 Cb 0.09 -2.07 -0.02 0.00 -4.31 0.00 0.00 34.13 27.83 1aey s GLU 22 CO 0.78 -0.65 -0.01 0.14 0.01 0.00 0.00 175.26 175.52 1aey s VAL 23 N -3.17 0.10 0.28 2.63 -7.23 -0.75 -4.69 120.40 107.56 1aey s VAL 23 Ca 0.56 -0.79 -0.22 0.00 -1.81 0.00 0.00 61.98 59.71 1aey s VAL 23 Cb -0.11 -0.25 -0.09 0.00 0.56 0.00 0.00 36.38 36.48 1aey s VAL 23 CO 0.54 -0.44 0.83 -0.89 -0.31 0.00 0.00 175.10 174.84 1aey s THR 24 N -1.30 4.40 0.07 5.32 2.01 -1.26 -4.20 115.64 120.68 1aey s THR 24 Ca -0.14 1.53 -0.11 0.00 0.31 0.00 0.00 61.69 63.28 1aey s THR 24 Cb -0.09 -3.91 0.01 0.00 0.01 0.00 0.00 72.50 68.52 1aey s THR 24 CO -0.01 0.14 0.24 0.00 -0.69 0.00 0.00 174.62 174.31 1aey s MET 25 N -2.09 0.83 0.12 4.92 0.23 0.05 -4.95 119.30 118.42 1aey s MET 25 Ca 0.47 -0.76 0.04 0.00 -1.03 0.00 0.00 55.69 54.42 1aey s MET 25 Cb -0.17 0.35 -0.04 0.00 -1.53 0.00 0.00 34.83 33.44 1aey s MET 25 CO 0.22 -0.27 0.09 0.15 -2.03 0.00 0.00 175.02 173.18 1aey s LYS 26 N -3.29 2.83 0.24 3.16 -0.14 -1.26 -0.96 119.74 120.32 1aey s LYS 26 Ca 0.00 -0.80 -0.31 0.00 -1.36 0.00 0.00 55.97 53.51 1aey s LYS 26 Cb 0.02 -2.66 -0.13 0.00 -1.68 0.00 0.00 37.83 33.38 1aey s LYS 26 CO -0.08 0.53 1.40 1.17 -0.76 0.00 0.00 175.35 177.60 1aey n LYS 27 N 0.12 2.00 0.00 1.68 4.81 -1.24 -1.40 118.16 124.14 1aey n LYS 27 Ca -0.09 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 58.07 1aey n LYS 27 Cb 0.53 -2.36 0.00 0.00 0.02 0.00 0.00 35.03 33.22 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 2.14 1.81 3.75 3.14 0.00 -0.04 -4.93 105.19 111.06 1aey n GLY 28 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.62 5.27 -0.57 1.61 1.01 -0.49 -4.64 116.67 116.25 1aey s ASP 29 Ca 0.00 2.65 -0.07 0.00 0.71 0.00 0.00 52.55 55.84 1aey s ASP 29 Cb 0.00 -2.63 0.15 0.00 1.01 0.00 0.00 42.92 41.45 1aey s ASP 29 CO 0.00 -1.56 0.43 0.27 0.21 0.00 0.00 175.17 174.52 1aey s ILE 30 N -1.37 4.13 0.43 0.77 -4.36 -1.26 -0.35 121.20 119.18 1aey s ILE 30 Ca 0.73 -2.35 -0.09 0.00 -0.26 0.00 0.00 60.65 58.69 1aey s ILE 30 Cb -0.38 -3.69 -0.05 0.00 1.25 0.00 0.00 42.46 39.59 1aey s ILE 30 CO 0.43 -0.84 0.78 -0.76 0.24 0.00 0.00 174.94 174.79 1aey s LEU 31 N 0.64 3.75 -0.60 0.37 2.01 0.23 -4.88 118.68 120.20 1aey s LEU 31 Ca 0.12 1.07 -0.13 0.00 0.01 0.00 0.00 54.13 55.20 1aey s LEU 31 Cb -0.21 -3.97 0.15 0.00 0.01 0.00 0.00 46.19 42.17 1aey s LEU 31 CO -0.03 -0.47 0.52 -0.89 1.01 0.00 0.00 176.35 176.49 1aey s THR 32 N -2.51 4.91 -0.02 5.49 2.01 -1.17 -1.47 115.64 122.89 1aey s THR 32 Ca 0.50 -1.94 -0.30 0.00 0.31 0.00 0.00 61.69 60.26 1aey s THR 32 Cb -0.10 -4.14 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 1aey s THR 32 CO 0.36 -0.88 1.02 -0.22 -0.69 0.00 0.00 174.62 174.21 1aey s LEU 33 N 1.04 4.34 -0.18 4.42 2.96 0.09 -0.34 118.68 131.01 1aey s LEU 33 Ca 0.09 1.68 -0.15 0.00 -0.22 0.00 0.00 54.13 55.53 1aey s LEU 33 Cb -0.23 -3.57 -0.09 0.00 0.50 0.00 0.00 46.19 42.80 1aey s LEU 33 CO -0.02 -0.34 -0.13 -0.11 -1.32 0.00 0.00 176.35 174.44 1aey n LEU 34 N 4.19 1.86 -3.89 -0.68 7.94 0.24 -2.67 117.00 123.99 1aey n LEU 34 Ca 0.07 0.49 -0.26 0.00 -1.11 0.00 0.00 56.01 55.20 1aey n LEU 34 Cb 0.50 -0.87 -0.17 0.00 0.53 0.00 0.00 43.42 43.41 1aey n LEU 34 CO 0.53 -0.12 -0.43 0.21 -1.11 0.00 0.00 177.39 176.46 1aey s ASN 35 N -6.26 2.16 0.15 1.96 2.47 -0.25 -4.87 114.94 110.29 1aey s ASN 35 Ca -0.24 -0.30 0.23 0.00 0.42 0.00 0.00 52.86 52.97 1aey s ASN 35 Cb 0.05 -0.80 0.01 0.00 -1.45 0.00 0.00 41.25 39.06 1aey s ASN 35 CO 0.38 -0.13 1.01 -1.54 -3.72 0.00 0.00 177.10 173.11 1aey n SER 36 N 4.96 0.71 -0.31 -4.21 3.41 -1.26 -1.70 113.62 115.21 1aey n SER 36 Ca -0.12 0.19 0.01 0.00 -0.26 0.00 0.00 58.87 58.69 1aey n SER 36 Cb 0.50 0.63 0.14 0.00 -0.26 0.00 0.00 64.21 65.22 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 0.00 1.03 -1.04 6.66 1.35 -1.95 -3.35 112.91 115.62 1aey h THR 37 Ca 0.00 -0.33 -0.60 0.00 -0.55 0.00 0.00 66.41 64.93 1aey h THR 37 Cb 0.93 -0.02 -0.09 0.00 -1.73 0.00 0.00 68.15 67.24 1aey h THR 37 CO 0.00 0.18 1.59 0.20 -0.25 0.00 0.00 175.52 177.23 1aey s ASN 38 N -5.77 6.49 0.33 5.36 -0.87 -1.26 -4.85 114.94 114.37 1aey s ASN 38 Ca -0.13 -1.60 0.18 0.00 -1.57 0.00 0.00 52.86 49.75 1aey s ASN 38 Cb 0.18 -2.57 1.18 0.00 -0.02 0.00 0.00 41.25 40.02 1aey s ASN 38 CO 0.79 -1.52 1.42 2.29 -2.57 0.00 0.00 177.10 177.51 1aey n LYS 39 N 8.80 -0.06 0.02 -0.60 2.85 -1.26 -1.45 118.16 126.47 1aey n LYS 39 Ca 0.36 1.25 -0.18 0.00 -1.05 0.00 0.00 58.31 58.69 1aey n LYS 39 Cb 0.50 -2.23 -0.14 0.00 -0.65 0.00 0.00 35.03 32.51 1aey n LYS 39 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 1aey h ASP 40 N 0.00 0.36 -3.38 -5.58 3.32 -1.92 -3.41 116.42 105.81 1aey h ASP 40 Ca 0.75 -0.95 -0.61 0.00 0.02 0.00 0.00 57.03 56.24 1aey h ASP 40 Cb 1.97 -0.12 -0.40 0.00 0.22 0.00 0.00 39.33 41.00 1aey h ASP 40 CO -0.70 1.28 -0.75 0.26 -1.72 0.00 0.00 179.24 177.61 1aey s TRP 41 N -2.45 2.44 0.22 4.55 0.52 -0.53 -2.38 118.94 121.32 1aey s TRP 41 Ca -0.15 -2.13 -0.30 0.00 0.02 0.00 0.00 56.10 53.54 1aey s TRP 41 Cb 0.00 -2.08 -0.09 0.00 -1.15 0.00 0.00 33.47 30.16 1aey s TRP 41 CO 0.80 -0.88 0.95 -1.58 0.02 0.00 0.00 176.95 176.26 1aey s TRP 42 N 1.36 3.94 -0.19 -1.98 0.51 -0.67 -4.51 118.94 117.41 1aey s TRP 42 Ca 0.08 1.89 -0.14 0.00 -2.12 0.00 0.00 56.10 55.81 1aey s TRP 42 Cb -0.18 -3.01 -0.04 0.00 -0.81 0.00 0.00 33.47 29.43 1aey s TRP 42 CO -0.17 0.37 0.31 0.21 -0.51 0.00 0.00 176.95 177.16 1aey s LYS 43 N -1.03 4.20 0.08 4.98 2.20 -0.69 -0.86 119.74 128.61 1aey s LYS 43 Ca 0.42 0.07 0.06 0.00 -0.36 0.00 0.00 55.97 56.15 1aey s LYS 43 Cb -0.26 -3.49 -0.03 0.00 -1.51 0.00 0.00 37.83 32.54 1aey s LYS 43 CO 0.32 0.11 -0.16 0.14 -0.36 0.00 0.00 175.35 175.40 1aey s VAL 44 N 0.87 1.27 -0.96 4.02 -7.23 0.15 -0.59 120.40 117.93 1aey s VAL 44 Ca 0.16 -1.35 -0.23 0.00 -1.81 0.00 0.00 61.98 58.74 1aey s VAL 44 Cb -0.14 -1.20 0.05 0.00 0.56 0.00 0.00 36.38 35.66 1aey s VAL 44 CO 0.05 -0.17 1.39 -0.70 -0.31 0.00 0.00 175.10 175.37 1aey s GLU 45 N -1.75 3.52 -1.06 4.82 2.12 0.54 -1.27 118.70 125.62 1aey s GLU 45 Ca 0.00 -1.03 -0.18 0.00 0.36 0.00 0.00 54.97 54.12 1aey s GLU 45 Cb -0.10 -5.12 0.12 0.00 0.26 0.00 0.00 34.13 29.29 1aey s GLU 45 CO 0.03 -2.16 1.34 0.54 -0.54 0.00 0.00 175.26 174.46 1aey s VAL 46 N 4.91 4.58 0.00 3.70 0.11 0.42 -3.06 120.40 131.06 1aey s VAL 46 Ca 0.43 -1.73 0.00 0.00 -2.93 0.00 0.00 61.98 57.75 1aey s VAL 46 Cb -0.02 -4.91 0.00 0.00 -1.53 0.00 0.00 36.38 29.92 1aey s VAL 46 CO -0.06 -1.68 0.00 -3.20 -3.33 0.00 0.00 175.10 166.83 1aey n ASN 47 N 6.98 0.00 0.00 3.54 5.15 -1.26 -1.78 115.26 127.88 1aey n ASN 47 Ca 0.32 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.30 1aey n ASN 47 Cb 0.47 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.72 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 1.62 4.66 -4.83 1.20 5.75 -1.26 -5.04 116.55 118.65 1aey n ASP 48 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 54.79 54.41 1aey n ASP 48 Cb 0.00 0.42 -0.06 0.00 -1.03 0.00 0.00 41.12 40.45 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 -1.95 3.78 -0.79 0.11 0.52 -0.74 -5.04 118.95 114.84 1aey s ARG 49 Ca 0.00 0.01 -0.17 0.00 -0.52 0.00 0.00 55.73 55.06 1aey s ARG 49 Cb 0.00 -3.27 0.16 0.00 0.52 0.00 0.00 34.95 32.37 1aey s ARG 49 CO 0.00 0.61 0.85 -0.65 0.02 0.00 0.00 175.30 176.13 1aey s GLN 50 N -0.60 3.45 0.26 3.54 1.11 -1.26 -0.44 119.66 125.72 1aey s GLN 50 Ca 0.16 -1.96 0.02 0.00 0.01 0.00 0.00 55.36 53.59 1aey s GLN 50 Cb -0.13 -4.53 -0.04 0.00 -1.01 0.00 0.00 33.01 27.30 1aey s GLN 50 CO 0.05 -1.49 0.19 0.20 0.01 0.00 0.00 175.29 174.25 1aey s GLY 51 N 3.00 1.82 0.05 3.09 0.00 -0.40 -4.93 107.32 109.95 1aey s GLY 51 Ca 0.20 -1.86 -0.10 0.00 0.00 0.00 0.00 44.72 42.97 1aey s GLY 51 CO -0.05 -1.43 0.37 -1.36 0.00 0.00 0.00 173.10 170.63 1aey s PHE 52 N -3.85 3.60 0.06 1.90 0.08 -0.11 -0.68 117.98 118.98 1aey s PHE 52 Ca 0.40 0.76 0.05 0.00 0.12 0.00 0.00 56.93 58.26 1aey s PHE 52 Cb 0.05 -2.13 -0.03 0.00 -0.57 0.00 0.00 43.02 40.34 1aey s PHE 52 CO 0.19 0.56 -0.15 0.14 -0.10 0.00 0.00 175.22 175.85 1aey s VAL 53 N -1.34 1.20 0.01 -0.44 -7.23 -0.04 -1.81 120.40 110.75 1aey s VAL 53 Ca 0.31 -1.20 -0.31 0.00 -1.81 0.00 0.00 61.98 58.96 1aey s VAL 53 Cb -0.14 -1.11 -0.10 0.00 0.56 0.00 0.00 36.38 35.59 1aey s VAL 53 CO 0.17 -0.10 1.93 -2.65 -0.31 0.00 0.00 175.10 174.15 1aey n PRO 54 N 1.53 2.65 0.00 4.82 -0.02 -1.26 -1.67 135.00 141.06 1aey n PRO 54 Ca -0.20 0.97 0.19 0.00 -2.02 0.00 0.00 63.50 62.44 1aey n PRO 54 Cb 0.54 -2.89 0.66 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 9.97 2.42 -0.64 3.55 0.00 -1.69 -2.07 119.26 130.80 1aey h ALA 55 Ca -0.49 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.47 1aey h ALA 55 Cb 1.25 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 1aey h ALA 55 CO 0.94 -0.56 0.33 0.00 0.00 0.00 0.00 179.25 179.96 1aey h ALA 56 N 1.75 0.86 -0.34 0.00 0.00 -1.86 -3.05 119.26 116.61 1aey h ALA 56 Ca 0.24 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1aey h ALA 56 Cb 0.90 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1aey h ALA 56 CO -0.01 -0.03 0.00 0.66 0.00 0.00 0.00 179.25 179.87 1aey n TYR 57 N -4.85 1.15 -4.16 0.00 4.01 -0.78 -4.84 117.16 107.70 1aey n TYR 57 Ca 0.08 -0.40 -0.15 0.00 -0.16 0.00 0.00 57.90 57.27 1aey n TYR 57 Cb 0.20 -0.31 -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 -1.97 0.93 -0.17 -0.72 -7.23 -1.15 -0.31 120.40 109.78 1aey s VAL 58 Ca 0.31 -1.48 0.00 0.00 -1.81 0.00 0.00 61.98 59.00 1aey s VAL 58 Cb 0.23 -1.19 0.01 0.00 0.56 0.00 0.00 36.38 35.99 1aey s VAL 58 CO 0.10 -0.45 -0.17 -0.75 -0.31 0.00 0.00 175.10 173.52 1aey s LYS 59 N -2.37 3.12 0.03 4.82 2.20 -0.08 -4.87 119.74 122.59 1aey s LYS 59 Ca 0.02 -0.78 -0.30 0.00 -0.36 0.00 0.00 55.97 54.54 1aey s LYS 59 Cb -0.06 -2.63 -0.04 0.00 -1.51 0.00 0.00 37.83 33.59 1aey s LYS 59 CO 0.01 -0.10 1.07 0.21 -0.36 0.00 0.00 175.35 176.17 1aey s LYS 60 N 1.09 4.52 -0.47 4.03 2.20 -1.26 -0.62 119.74 129.23 1aey s LYS 60 Ca -0.00 1.56 0.04 0.00 -0.36 0.00 0.00 55.97 57.21 1aey s LYS 60 Cb -0.14 -3.41 0.42 0.00 -1.51 0.00 0.00 37.83 33.18 1aey s LYS 60 CO -0.06 -0.12 1.22 1.28 -0.36 0.00 0.00 175.35 177.32 1aey n LEU 61 N 3.84 5.05 0.00 5.43 4.77 -0.62 -4.96 117.00 130.51 1aey n LEU 61 Ca 0.07 -5.13 0.09 0.00 -0.03 0.00 0.00 56.01 51.01 1aey n LEU 61 Cb 0.49 -0.52 0.55 0.00 -2.33 0.00 0.00 43.42 41.61 1aey n LEU 61 CO 0.53 2.17 0.75 -0.90 -1.33 0.00 0.00 177.39 178.61