#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aym s GLN 2 N 0.00 0.79 0.24 0.00 -0.21 -1.26 -5.10 119.66 114.12 2aym s GLN 2 Ca 0.00 -1.12 -0.02 0.00 0.02 0.00 0.00 55.36 54.24 2aym s GLN 2 Cb 0.00 0.29 -0.03 0.00 1.00 0.00 0.00 33.01 34.27 2aym s GLN 2 CO 0.00 -0.22 0.25 0.95 -2.12 0.00 0.00 175.29 174.15 2aym s THR 3 N -3.91 0.00 0.20 -0.19 -4.23 -1.26 -5.19 115.64 101.06 2aym s THR 3 Ca 0.08 -1.85 0.01 0.00 -1.18 0.00 0.00 61.69 58.75 2aym s THR 3 Cb 0.06 -2.46 -0.05 0.00 1.34 0.00 0.00 72.50 71.40 2aym s THR 3 CO -0.09 0.00 0.06 -1.61 -0.54 0.00 0.00 174.62 172.44 2aym s GLU 4 N -3.94 1.19 0.30 3.99 0.41 -1.26 -4.33 118.70 115.06 2aym s GLU 4 Ca 0.35 -1.61 -0.09 0.00 -0.41 0.00 0.00 54.97 53.22 2aym s GLU 4 Cb 0.04 -0.11 0.00 0.00 -1.78 0.00 0.00 34.13 32.29 2aym s GLU 4 CO 0.14 -0.24 0.51 -0.65 -0.49 0.00 0.00 175.26 174.53 2aym s GLN 5 N -4.01 1.77 1.07 1.61 -1.52 -1.26 -4.99 119.66 112.32 2aym s GLN 5 Ca 0.31 -1.48 -0.13 0.00 -1.95 0.00 0.00 55.36 52.11 2aym s GLN 5 Cb 0.07 0.47 0.19 0.00 -0.22 0.00 0.00 33.01 33.52 2aym s GLN 5 CO 0.08 -0.75 0.82 -0.35 -0.25 0.00 0.00 175.29 174.85 2aym n PRO 6 N -0.47 -1.48 -1.53 2.91 -0.04 -1.26 -4.90 135.00 128.22 2aym n PRO 6 Ca -0.01 -0.39 -0.49 0.00 -0.04 0.00 0.00 63.50 62.57 2aym n PRO 6 Cb 0.62 -2.12 -0.04 0.00 -0.04 0.00 0.00 33.50 31.92 2aym n PRO 6 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2aym n PRO 7 N -3.91 0.82 -4.07 0.54 -0.02 -1.26 -4.96 135.00 122.13 2aym n PRO 7 Ca 0.06 0.29 -0.14 0.00 -2.02 0.00 0.00 63.50 61.69 2aym n PRO 7 Cb 0.55 -1.65 -0.14 0.00 -0.02 0.00 0.00 33.50 32.24 2aym n PRO 7 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2aym s ASN 8 N -0.34 0.51 0.64 2.55 2.47 -1.26 -4.92 114.94 114.58 2aym s ASN 8 Ca 0.70 -0.19 0.33 0.00 0.42 0.00 0.00 52.86 54.12 2aym s ASN 8 Cb -0.88 -0.02 1.80 0.00 -1.45 0.00 0.00 41.25 40.70 2aym s ASN 8 CO 0.55 -0.02 2.07 -0.61 -3.72 0.00 0.00 177.10 175.37 2aym h GLN 9 N 5.67 0.00 -5.43 0.43 4.15 -1.85 -3.42 115.11 114.66 2aym h GLN 9 Ca -0.29 0.00 -0.47 0.00 0.77 0.00 0.00 58.65 58.67 2aym h GLN 9 Cb 1.20 0.00 -0.25 0.00 0.21 0.00 0.00 27.48 28.64 2aym h GLN 9 CO 0.48 0.00 -0.80 0.42 -1.93 0.00 0.00 178.83 177.00 2aym s ILE 10 N -4.31 1.19 0.11 2.39 1.01 -1.26 -1.47 121.20 118.86 2aym s ILE 10 Ca -0.04 -1.01 0.09 0.00 0.00 0.00 0.00 60.65 59.70 2aym s ILE 10 Cb 0.12 -1.07 -0.04 0.00 0.01 0.00 0.00 42.46 41.49 2aym s ILE 10 CO 0.41 0.05 -0.24 -0.76 0.00 0.00 0.00 174.94 174.40 2aym s LEU 11 N -1.10 2.29 -0.07 2.97 1.43 0.07 -1.32 118.68 122.95 2aym s LEU 11 Ca 0.03 -0.70 0.04 0.00 -1.03 0.00 0.00 54.13 52.46 2aym s LEU 11 Cb -0.08 -1.07 -0.02 0.00 0.03 0.00 0.00 46.19 45.05 2aym s LEU 11 CO 0.01 0.13 -0.17 0.12 0.23 0.00 0.00 176.35 176.67 2aym s PHE 12 N -1.07 2.64 0.08 0.29 5.36 0.06 -1.36 117.98 123.97 2aym s PHE 12 Ca 0.10 -0.40 0.06 0.00 -0.96 0.00 0.00 56.93 55.73 2aym s PHE 12 Cb -0.10 -1.66 -0.03 0.00 -0.34 0.00 0.00 43.02 40.89 2aym s PHE 12 CO 0.05 -0.00 -0.16 -0.51 -1.46 0.00 0.00 175.22 173.14 2aym s LEU 13 N -0.36 2.29 0.29 6.12 1.02 0.23 -0.57 118.68 127.70 2aym s LEU 13 Ca 0.03 -0.64 0.02 0.00 0.02 0.00 0.00 54.13 53.56 2aym s LEU 13 Cb -0.12 -0.60 -0.02 0.00 0.02 0.00 0.00 46.19 45.46 2aym s LEU 13 CO 0.02 -0.05 0.30 0.42 0.02 0.00 0.00 176.35 177.06 2aym s THR 14 N -1.27 0.00 -1.25 5.49 -4.23 -0.53 -1.36 115.64 112.49 2aym s THR 14 Ca 0.00 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 2aym s THR 14 Cb -0.10 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.23 2aym s THR 14 CO 0.03 0.00 0.00 -3.20 -0.54 0.00 0.00 174.62 170.91 2aym n ASN 15 N -1.10 -4.38 -4.79 3.99 5.15 -0.59 -1.35 115.26 112.19 2aym n ASN 15 Ca 0.04 0.15 -0.33 0.00 -0.60 0.00 0.00 54.58 53.84 2aym n ASN 15 Cb 0.63 -3.71 0.03 0.00 -0.53 0.00 0.00 39.78 36.20 2aym n ASN 15 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2aym s LEU 16 N -5.64 3.45 0.48 1.20 1.43 -0.31 -4.19 118.68 115.09 2aym s LEU 16 Ca 0.00 1.90 -0.22 0.00 -1.03 0.00 0.00 54.13 54.79 2aym s LEU 16 Cb 0.00 -4.54 -0.10 0.00 0.03 0.00 0.00 46.19 41.58 2aym s LEU 16 CO 0.00 -1.38 0.76 -2.65 0.23 0.00 0.00 176.35 173.31 2aym n PRO 17 N -2.20 0.87 0.01 1.29 -0.02 -1.26 -4.36 135.00 129.33 2aym n PRO 17 Ca 0.09 0.32 0.04 0.00 -2.02 0.00 0.00 63.50 61.94 2aym n PRO 17 Cb 0.52 -1.83 0.19 0.00 -0.02 0.00 0.00 33.50 32.37 2aym n PRO 17 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2aym n GLU 18 N 0.08 0.02 -0.02 -0.52 0.28 -1.26 -2.06 120.64 117.15 2aym n GLU 18 Ca 0.11 0.39 0.12 0.00 -0.16 0.00 0.00 57.16 57.63 2aym n GLU 18 Cb 0.42 -1.54 0.22 0.00 1.43 0.00 0.00 31.44 31.98 2aym n GLU 18 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2aym n GLU 19 N -1.57 2.16 -2.09 3.44 -0.58 -1.26 -4.87 120.64 115.87 2aym n GLU 19 Ca 0.02 -1.70 -0.38 0.00 -0.42 0.00 0.00 57.16 54.68 2aym n GLU 19 Cb 0.09 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 2aym n GLU 19 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2aym s THR 20 N -1.95 2.72 0.13 2.62 2.01 -0.87 -5.05 115.64 115.25 2aym s THR 20 Ca 0.32 0.58 -0.00 0.00 0.31 0.00 0.00 61.69 62.89 2aym s THR 20 Cb 0.20 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.36 2aym s THR 20 CO 0.31 0.03 0.03 0.21 -0.69 0.00 0.00 174.62 174.51 2aym s ASN 21 N -1.05 0.61 0.48 3.53 2.47 -1.26 -4.94 114.94 114.78 2aym s ASN 21 Ca 0.63 -1.17 0.18 0.00 0.42 0.00 0.00 52.86 52.92 2aym s ASN 21 Cb -0.34 0.23 1.19 0.00 -1.45 0.00 0.00 41.25 40.87 2aym s ASN 21 CO 0.42 -0.66 1.99 -0.33 -3.72 0.00 0.00 177.10 174.80 2aym h GLU 22 N 2.85 0.22 -0.99 0.43 5.08 -1.96 -1.74 114.58 118.47 2aym h GLU 22 Ca -0.35 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.03 2aym h GLU 22 Cb 1.19 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.34 2aym h GLU 22 CO 0.61 0.15 0.65 0.52 -1.00 0.00 0.00 179.01 179.94 2aym h MET 23 N 0.23 1.23 0.26 2.33 2.86 -1.98 0.55 114.93 120.41 2aym h MET 23 Ca 0.26 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.81 2aym h MET 23 Cb 0.72 -0.28 0.00 0.00 0.06 0.00 0.00 31.60 32.10 2aym h MET 23 CO -0.05 0.81 -0.12 0.52 1.06 0.00 0.00 176.91 179.13 2aym h MET 24 N 1.26 -0.33 -0.05 1.72 2.86 -1.73 -0.91 114.93 117.75 2aym h MET 24 Ca 0.39 0.02 -0.13 0.00 -2.06 0.00 0.00 59.70 57.93 2aym h MET 24 Cb -0.01 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 2aym h MET 24 CO -0.12 -0.08 -0.55 -0.07 1.06 0.00 0.00 176.91 177.16 2aym h LEU 25 N -0.56 0.16 -0.28 1.22 3.38 -1.60 -1.51 115.31 116.12 2aym h LEU 25 Ca -0.04 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 2aym h LEU 25 Cb 0.41 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2aym h LEU 25 CO 0.06 0.68 0.10 0.28 0.09 0.00 0.00 178.44 179.65 2aym h SER 26 N 0.11 0.40 -0.42 -0.43 0.02 -0.75 0.69 113.55 113.17 2aym h SER 26 Ca -0.00 -0.18 0.05 0.00 -0.84 0.00 0.00 61.79 60.82 2aym h SER 26 Cb 1.00 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 63.39 2aym h SER 26 CO 0.08 0.47 0.14 -0.03 -1.14 0.00 0.00 176.83 176.35 2aym h MET 27 N 0.30 0.29 0.07 3.45 1.85 -0.93 -0.09 114.93 119.87 2aym h MET 27 Ca 0.09 -0.02 -0.00 0.00 -0.61 0.00 0.00 59.70 59.16 2aym h MET 27 Cb 0.20 -0.06 0.00 0.00 0.43 0.00 0.00 31.60 32.17 2aym h MET 27 CO -0.01 0.19 -0.03 -0.07 -0.40 0.00 0.00 176.91 176.59 2aym h LEU 28 N 0.30 -0.08 0.00 3.39 3.38 -0.89 -3.31 115.31 118.10 2aym h LEU 28 Ca 0.20 -0.31 -0.15 0.00 0.09 0.00 0.00 57.88 57.70 2aym h LEU 28 Cb 0.19 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2aym h LEU 28 CO -0.21 0.28 -0.75 -0.26 0.09 0.00 0.00 178.44 177.59 2aym h PHE 29 N -0.44 0.00 0.00 1.13 -1.00 -0.83 -3.24 116.94 112.56 2aym h PHE 29 Ca -0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.77 2aym h PHE 29 Cb 0.38 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.94 2aym h PHE 29 CO 0.04 0.69 0.00 -1.71 -1.61 0.00 0.00 178.31 175.73 2aym n ASN 30 N -3.25 0.19 0.15 2.17 5.15 -0.05 -1.63 115.26 117.99 2aym n ASN 30 Ca 0.00 0.57 0.16 0.00 -0.60 0.00 0.00 54.58 54.71 2aym n ASN 30 Cb 0.82 -0.60 0.73 0.00 -0.53 0.00 0.00 39.78 40.20 2aym n ASN 30 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 2aym h GLN 31 N 0.00 0.00 -6.12 1.20 4.20 -1.68 -3.42 115.11 109.29 2aym h GLN 31 Ca 0.00 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.12 2aym h GLN 31 Cb 0.13 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.86 2aym h GLN 31 CO 0.00 0.00 -0.11 -0.06 -0.67 0.00 0.00 178.83 177.99 2aym s PHE 32 N -4.89 3.76 0.00 2.96 0.08 -0.65 -4.97 117.98 114.27 2aym s PHE 32 Ca -0.05 1.14 0.00 0.00 0.12 0.00 0.00 56.93 58.14 2aym s PHE 32 Cb 0.17 -2.42 0.00 0.00 -0.57 0.00 0.00 43.02 40.20 2aym s PHE 32 CO 0.65 0.59 0.91 -0.35 -0.10 0.00 0.00 175.22 176.91 2aym n PRO 33 N 1.88 0.77 0.00 0.24 -0.04 -1.26 -2.71 135.00 133.87 2aym n PRO 33 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 2aym n PRO 33 Cb 0.51 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 2aym n PRO 33 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2aym n GLY 34 N 0.79 1.00 3.69 0.55 0.00 -1.26 -5.03 105.19 104.93 2aym n GLY 34 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2aym n GLY 34 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2aym n PHE 35 N 0.00 1.54 0.04 1.61 7.35 -1.10 -0.32 117.46 126.58 2aym n PHE 35 Ca 0.00 0.43 0.00 0.00 -0.76 0.00 0.00 57.45 57.12 2aym n PHE 35 Cb 0.11 -2.23 0.00 0.00 0.35 0.00 0.00 39.48 37.72 2aym n PHE 35 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 2aym n LYS 36 N -1.54 0.00 -3.83 -4.13 5.02 -0.54 -4.72 118.16 108.42 2aym n LYS 36 Ca 0.15 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.38 2aym n LYS 36 Cb 0.48 -0.23 0.01 0.00 -0.02 0.00 0.00 35.03 35.26 2aym n LYS 36 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2aym s GLU 37 N -2.00 1.75 0.05 1.97 2.12 -0.62 -5.00 118.70 116.97 2aym s GLU 37 Ca 0.00 -1.07 0.02 0.00 0.36 0.00 0.00 54.97 54.28 2aym s GLU 37 Cb 0.00 0.53 -0.03 0.00 0.26 0.00 0.00 34.13 34.89 2aym s GLU 37 CO 0.00 -0.81 -0.07 0.08 -0.54 0.00 0.00 175.26 173.92 2aym s VAL 38 N -2.79 0.52 -0.19 3.70 1.01 -1.26 -0.61 120.40 120.78 2aym s VAL 38 Ca 0.15 -1.28 -0.03 0.00 0.00 0.00 0.00 61.98 60.83 2aym s VAL 38 Cb -0.04 -0.84 0.06 0.00 0.00 0.00 0.00 36.38 35.56 2aym s VAL 38 CO 0.07 -0.52 0.04 -0.13 0.00 0.00 0.00 175.10 174.56 2aym s ARG 39 N -2.15 0.59 0.88 2.72 1.81 0.11 -4.98 118.95 117.93 2aym s ARG 39 Ca -0.05 -0.39 -0.12 0.00 -1.72 0.00 0.00 55.73 53.44 2aym s ARG 39 Cb -0.06 -2.08 0.12 0.00 -0.45 0.00 0.00 34.95 32.48 2aym s ARG 39 CO -0.01 -0.65 1.14 -0.51 -0.68 0.00 0.00 175.30 174.59 2aym s LEU 40 N 1.89 2.16 -0.57 2.53 2.01 -1.26 -0.60 118.68 124.84 2aym s LEU 40 Ca -0.01 0.94 0.00 0.00 0.01 0.00 0.00 54.13 55.08 2aym s LEU 40 Cb -0.17 -3.32 0.15 0.00 0.01 0.00 0.00 46.19 42.85 2aym s LEU 40 CO -0.08 -2.36 0.35 -0.69 1.01 0.00 0.00 176.35 174.57 2aym s VAL 41 N -3.34 3.18 -0.25 -1.59 1.01 -1.23 -4.89 120.40 113.28 2aym s VAL 41 Ca 0.63 -3.08 0.00 0.00 0.00 0.00 0.00 61.98 59.53 2aym s VAL 41 Cb -0.14 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.11 2aym s VAL 41 CO 0.52 -0.83 0.60 -0.81 0.00 0.00 0.00 175.10 174.58 2aym n PRO 42 N 3.36 0.68 0.00 2.72 -0.04 -1.26 -0.59 135.00 139.88 2aym n PRO 42 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2aym n PRO 42 Cb 0.36 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 2aym n PRO 42 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2aym n ASN 43 N 0.53 0.67 0.00 3.54 3.02 -1.26 -4.86 115.26 116.90 2aym n ASN 43 Ca 0.00 -0.41 0.00 0.00 -0.03 0.00 0.00 54.58 54.14 2aym n ASN 43 Cb 0.30 0.95 0.00 0.00 -0.61 0.00 0.00 39.78 40.42 2aym n ASN 43 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2aym n ARG 44 N -1.02 0.92 0.00 3.52 1.74 -0.12 -5.04 116.66 116.66 2aym n ARG 44 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2aym n ARG 44 Cb 0.00 -0.69 0.00 0.00 -1.02 0.00 0.00 32.46 30.75 2aym n ARG 44 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2aym n HIS 45 N -1.40 0.00 1.67 -1.55 8.25 0.24 -4.66 115.22 117.77 2aym n HIS 45 Ca 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.61 2aym n HIS 45 Cb 0.19 -0.33 0.79 0.00 1.12 0.00 0.00 29.99 31.75 2aym n HIS 45 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2aym n ASP 46 N 0.01 0.24 -4.23 0.41 5.75 -1.26 -4.56 116.55 112.90 2aym n ASP 46 Ca 0.00 -0.72 -0.14 0.00 -0.01 0.00 0.00 54.79 53.92 2aym n ASP 46 Cb 0.00 -0.09 -0.10 0.00 -1.03 0.00 0.00 41.12 39.90 2aym n ASP 46 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 2aym s ILE 47 N -2.26 1.06 0.32 2.12 -4.36 -1.26 -1.16 121.20 115.66 2aym s ILE 47 Ca 0.38 -1.99 -0.18 0.00 -0.26 0.00 0.00 60.65 58.59 2aym s ILE 47 Cb 0.21 -1.77 0.06 0.00 1.25 0.00 0.00 42.46 42.21 2aym s ILE 47 CO 0.41 -0.75 0.85 0.00 0.24 0.00 0.00 174.94 175.70 2aym s ALA 48 N -3.29 -1.02 0.09 2.27 0.00 -0.47 -3.48 121.76 115.87 2aym s ALA 48 Ca 0.15 -0.59 0.06 0.00 0.00 0.00 0.00 51.96 51.58 2aym s ALA 48 Cb 0.02 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.82 2aym s ALA 48 CO -0.01 -1.01 -0.15 -0.06 0.00 0.00 0.00 175.76 174.54 2aym s PHE 49 N -2.42 1.32 0.02 0.00 0.40 0.23 -0.60 117.98 116.94 2aym s PHE 49 Ca 0.17 -0.50 0.02 0.00 -0.60 0.00 0.00 56.93 56.02 2aym s PHE 49 Cb -0.04 -0.72 -0.01 0.00 0.51 0.00 0.00 43.02 42.75 2aym s PHE 49 CO 0.09 0.10 -0.07 0.08 0.70 0.00 0.00 175.22 176.12 2aym s VAL 50 N -1.62 0.52 -0.07 -0.44 1.01 -0.47 -0.72 120.40 118.62 2aym s VAL 50 Ca 0.03 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.43 2aym s VAL 50 Cb -0.08 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.80 2aym s VAL 50 CO 0.03 -0.09 -0.17 -0.70 0.00 0.00 0.00 175.10 174.17 2aym s GLU 51 N -0.77 2.08 0.25 2.72 2.12 0.22 -0.75 118.70 124.57 2aym s GLU 51 Ca -0.03 -0.61 0.05 0.00 0.36 0.00 0.00 54.97 54.74 2aym s GLU 51 Cb -0.06 -1.70 -0.05 0.00 0.26 0.00 0.00 34.13 32.58 2aym s GLU 51 CO 0.00 0.15 -0.04 -0.06 -0.54 0.00 0.00 175.26 174.78 2aym s PHE 52 N 0.33 1.74 0.03 5.30 0.40 -0.54 -1.47 117.98 123.78 2aym s PHE 52 Ca -0.11 -0.80 -0.26 0.00 -0.60 0.00 0.00 56.93 55.15 2aym s PHE 52 Cb -0.15 -0.99 -0.17 0.00 0.51 0.00 0.00 43.02 42.22 2aym s PHE 52 CO 0.04 0.12 1.43 1.15 0.70 0.00 0.00 175.22 178.67 2aym h THR 53 N 2.39 0.82 -3.96 0.64 2.02 -0.93 -3.45 112.91 110.44 2aym h THR 53 Ca -0.39 -0.44 -0.26 0.00 0.77 0.00 0.00 66.41 66.09 2aym h THR 53 Cb 1.23 1.07 -0.22 0.00 -1.74 0.00 0.00 68.15 68.49 2aym h THR 53 CO 0.66 0.10 -0.73 0.42 0.37 0.00 0.00 175.52 176.33 2aym s THR 54 N -5.20 0.46 0.33 3.16 -4.23 -1.26 -5.00 115.64 103.89 2aym s THR 54 Ca -0.15 -1.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.38 2aym s THR 54 Cb 0.03 -0.53 0.20 0.00 1.34 0.00 0.00 72.50 73.54 2aym s THR 54 CO 0.61 -0.38 1.92 -0.33 -0.54 0.00 0.00 174.62 175.89 2aym h GLU 55 N 4.61 0.73 -0.48 3.99 3.07 -1.88 0.11 114.58 124.73 2aym h GLU 55 Ca -0.35 -0.11 -0.13 0.00 -0.50 0.00 0.00 59.36 58.27 2aym h GLU 55 Cb 1.20 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.97 2aym h GLU 55 CO 0.41 0.61 -0.23 -0.07 -1.40 0.00 0.00 179.01 178.33 2aym h LEU 56 N 0.73 1.02 -0.54 1.33 4.07 -1.92 -0.32 115.31 119.68 2aym h LEU 56 Ca 0.18 -0.40 -0.16 0.00 0.08 0.00 0.00 57.88 57.57 2aym h LEU 56 Cb 0.15 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.60 2aym h LEU 56 CO -0.02 1.20 -0.61 1.56 -1.08 0.00 0.00 178.44 179.49 2aym h GLN 57 N 0.85 0.41 -0.38 1.13 4.20 -1.82 -0.60 115.11 118.89 2aym h GLN 57 Ca 0.11 -0.28 0.05 0.00 0.06 0.00 0.00 58.65 58.58 2aym h GLN 57 Cb 0.81 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.59 2aym h GLN 57 CO 0.07 0.89 0.12 0.77 -0.67 0.00 0.00 178.83 180.02 2aym h SER 58 N 0.30 0.12 -0.51 1.46 0.02 -0.81 -0.31 113.55 113.82 2aym h SER 58 Ca -0.01 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2aym h SER 58 Cb 1.15 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.70 2aym h SER 58 CO 0.11 0.10 0.29 -1.13 -1.14 0.00 0.00 176.83 175.06 2aym h ASN 59 N 0.27 0.63 -0.55 3.07 -1.24 -0.80 -0.35 115.58 116.61 2aym h ASN 59 Ca 0.18 -0.08 -0.01 0.00 0.71 0.00 0.00 56.30 57.10 2aym h ASN 59 Cb 0.17 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 39.03 2aym h ASN 59 CO -0.19 0.52 0.32 0.00 -1.29 0.00 0.00 177.43 176.80 2aym h ALA 60 N 1.13 0.71 -0.60 1.57 0.00 -0.69 0.22 119.26 121.60 2aym h ALA 60 Ca 0.18 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 2aym h ALA 60 Cb 0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2aym h ALA 60 CO -0.03 0.20 0.01 0.00 0.00 0.00 0.00 179.25 179.43 2aym h ALA 61 N 1.15 0.87 0.09 0.00 0.00 -0.89 -0.92 119.26 119.57 2aym h ALA 61 Ca 0.20 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2aym h ALA 61 Cb 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2aym h ALA 61 CO -0.04 0.66 -0.11 -0.22 0.00 0.00 0.00 179.25 179.55 2aym h LYS 62 N 0.96 -0.23 -0.88 0.00 3.64 -0.67 -0.92 116.57 118.49 2aym h LYS 62 Ca 0.17 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.61 2aym h LYS 62 Cb 0.54 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.36 2aym h LYS 62 CO 0.03 -0.15 0.58 0.93 -2.27 0.00 0.00 179.45 178.56 2aym h GLU 63 N -0.24 1.05 -0.24 1.90 4.39 -0.75 0.07 114.58 120.75 2aym h GLU 63 Ca 0.01 -0.06 -0.17 0.00 0.34 0.00 0.00 59.36 59.48 2aym h GLU 63 Cb 0.24 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2aym h GLU 63 CO -0.05 0.69 -0.54 0.00 -1.16 0.00 0.00 179.01 177.96 2aym h ALA 64 N 1.49 0.60 -0.01 3.43 0.00 -0.81 -3.36 119.26 120.60 2aym h ALA 64 Ca 0.35 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2aym h ALA 64 Cb 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2aym h ALA 64 CO -0.11 0.68 -0.05 1.28 0.00 0.00 0.00 179.25 181.06 2aym n LEU 65 N -3.99 1.23 -4.70 0.00 4.77 -0.38 -4.89 117.00 109.05 2aym n LEU 65 Ca -0.04 -0.90 -0.44 0.00 -0.03 0.00 0.00 56.01 54.60 2aym n LEU 65 Cb 0.61 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.66 2aym n LEU 65 CO 0.48 0.26 1.29 0.00 -1.33 0.00 0.00 177.39 178.09 2aym n GLN 66 N 0.04 2.50 -0.98 3.23 6.02 -0.01 -1.59 117.38 126.58 2aym n GLN 66 Ca 0.03 0.90 0.00 0.00 -0.01 0.00 0.00 57.00 57.92 2aym n GLN 66 Cb 0.13 -2.71 0.00 0.00 1.02 0.00 0.00 30.24 28.68 2aym n GLN 66 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2aym n GLY 67 N 3.67 0.63 3.68 1.08 0.00 0.34 -5.00 105.19 109.59 2aym n GLY 67 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2aym n GLY 67 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2aym s PHE 68 N -2.61 2.74 -0.27 1.61 5.36 -0.62 -4.53 117.98 119.65 2aym s PHE 68 Ca 0.00 0.79 -0.28 0.00 -0.96 0.00 0.00 56.93 56.48 2aym s PHE 68 Cb 0.00 -3.65 -0.03 0.00 -0.34 0.00 0.00 43.02 39.00 2aym s PHE 68 CO 0.00 -2.41 2.00 0.15 -1.46 0.00 0.00 175.22 173.49 2aym s LYS 69 N 2.89 3.25 0.02 10.12 3.01 -1.26 -0.42 119.74 137.34 2aym s LYS 69 Ca 0.63 1.72 -0.18 0.00 -1.01 0.00 0.00 55.97 57.13 2aym s LYS 69 Cb -0.29 -4.28 -0.24 0.00 -1.01 0.00 0.00 37.83 32.01 2aym s LYS 69 CO 0.24 -1.96 1.11 0.82 0.51 0.00 0.00 175.35 176.06 2aym h ILE 70 N 6.96 1.39 -3.89 2.17 2.04 -1.68 -3.45 117.51 121.06 2aym h ILE 70 Ca -0.37 -2.15 -0.34 0.00 1.00 0.00 0.00 64.86 62.99 2aym h ILE 70 Cb 1.20 2.58 -0.20 0.00 -0.74 0.00 0.00 36.82 39.66 2aym h ILE 70 CO 1.00 0.64 -0.75 -0.89 0.00 0.00 0.00 178.15 178.14 2aym s THR 71 N -3.19 0.88 0.47 -0.27 2.01 -1.25 -5.04 115.64 109.26 2aym s THR 71 Ca -0.12 -1.34 0.15 0.00 0.31 0.00 0.00 61.69 60.69 2aym s THR 71 Cb 0.04 -1.02 0.15 0.00 0.01 0.00 0.00 72.50 71.68 2aym s THR 71 CO 0.85 -0.37 1.40 -0.65 -0.69 0.00 0.00 174.62 175.15 2aym h PRO 72 N 4.14 0.00 -0.08 4.92 0.11 -2.00 0.19 132.00 139.28 2aym h PRO 72 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2aym h PRO 72 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2aym h PRO 72 CO 0.44 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.48 2aym n THR 73 N -2.46 0.39 -3.43 -1.15 -2.24 -1.26 -4.83 114.28 99.30 2aym n THR 73 Ca -0.01 -0.70 -0.26 0.00 -2.27 0.00 0.00 64.05 60.81 2aym n THR 73 Cb 0.57 0.88 -0.09 0.00 -2.10 0.00 0.00 70.33 69.59 2aym n THR 73 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2aym n HIS 74 N 0.25 0.35 -2.01 4.78 8.25 0.05 -5.05 115.22 121.84 2aym n HIS 74 Ca 0.05 -3.62 -0.43 0.00 -0.26 0.00 0.00 57.72 53.46 2aym n HIS 74 Cb 0.23 -0.12 -0.03 0.00 1.12 0.00 0.00 29.99 31.20 2aym n HIS 74 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2aym s ALA 75 N -0.75 3.12 0.13 -1.41 0.00 -1.26 -1.64 121.76 119.95 2aym s ALA 75 Ca 0.33 0.49 -0.35 0.00 0.00 0.00 0.00 51.96 52.42 2aym s ALA 75 Cb 0.07 -3.92 -0.16 0.00 0.00 0.00 0.00 23.12 19.11 2aym s ALA 75 CO -0.16 -2.20 1.38 -0.12 0.00 0.00 0.00 175.76 174.67 2aym n MET 76 N 7.98 1.46 -4.44 0.00 1.56 0.44 -4.74 117.12 119.39 2aym n MET 76 Ca 0.21 0.53 -0.32 0.00 -0.27 0.00 0.00 57.70 57.84 2aym n MET 76 Cb 0.45 -2.18 -0.10 0.00 2.15 0.00 0.00 33.22 33.54 2aym n MET 76 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 2aym s LYS 77 N 0.43 2.63 0.01 2.12 1.02 -0.46 -0.50 119.74 124.98 2aym s LYS 77 Ca 0.81 -0.67 0.01 0.00 0.02 0.00 0.00 55.97 56.14 2aym s LYS 77 Cb -0.85 -2.55 -0.01 0.00 -0.52 0.00 0.00 37.83 33.90 2aym s LYS 77 CO 0.45 0.62 -0.05 0.42 -0.92 0.00 0.00 175.35 175.87 2aym s ILE 78 N -0.99 0.34 0.03 2.17 1.01 -1.26 -1.45 121.20 121.05 2aym s ILE 78 Ca 0.17 -0.35 -0.08 0.00 0.00 0.00 0.00 60.65 60.38 2aym s ILE 78 Cb -0.11 -0.32 0.00 0.00 0.01 0.00 0.00 42.46 42.04 2aym s ILE 78 CO 0.07 -0.02 0.16 0.42 0.00 0.00 0.00 174.94 175.58 2aym s THR 79 N -0.37 0.11 0.08 2.92 -4.23 0.27 -5.00 115.64 109.42 2aym s THR 79 Ca -0.01 -0.89 -0.31 0.00 -1.18 0.00 0.00 61.69 59.30 2aym s THR 79 Cb -0.03 -0.80 -0.06 0.00 1.34 0.00 0.00 72.50 72.94 2aym s THR 79 CO -0.00 -0.49 1.27 -0.36 -0.54 0.00 0.00 174.62 174.50 2aym s PHE 80 N -2.29 3.37 0.94 3.99 0.08 -1.26 -0.76 117.98 122.05 2aym s PHE 80 Ca -0.07 1.17 -0.16 0.00 0.12 0.00 0.00 56.93 57.99 2aym s PHE 80 Cb -0.03 -3.52 0.23 0.00 -0.57 0.00 0.00 43.02 39.13 2aym s PHE 80 CO -0.03 -1.69 1.02 0.00 -0.10 0.00 0.00 175.22 174.42 2aym n ALA 81 N 3.93 -2.16 -3.63 5.36 0.00 -0.44 -4.54 120.51 119.03 2aym n ALA 81 Ca 0.10 -1.42 -0.29 0.00 0.00 0.00 0.00 53.44 51.82 2aym n ALA 81 Cb 0.45 -0.09 -0.14 0.00 0.00 0.00 0.00 19.45 19.67 2aym n ALA 81 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2aym s LYS 82 N -5.27 0.66 0.00 0.00 1.02 -1.26 -4.82 119.74 110.06 2aym s LYS 82 Ca 0.62 -1.15 0.01 0.00 0.02 0.00 0.00 55.97 55.47 2aym s LYS 82 Cb -0.04 -1.72 0.07 0.00 -0.52 0.00 0.00 37.83 35.62 2aym s LYS 82 CO 0.46 -1.07 0.56 1.63 -0.92 0.00 0.00 175.35 176.01