#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 3.21 0.07 0.00 -2.07 -1.26 -5.05 119.66 114.56 2aym s GLN 2 Ca 0.00 1.77 -0.26 0.00 -1.82 0.00 0.00 55.36 55.06 2aym s GLN 2 Cb 0.00 -2.03 0.07 0.00 -1.09 0.00 0.00 33.01 29.96 2aym s GLN 2 CO 0.00 -1.00 0.62 0.99 -1.32 0.00 0.00 175.29 174.58 2aym s THR 3 N -1.63 0.00 0.33 3.63 2.01 -1.26 -5.10 115.64 113.62 2aym s THR 3 Ca 0.74 -0.03 -0.27 0.00 0.31 0.00 0.00 61.69 62.45 2aym s THR 3 Cb -0.29 -1.00 -0.09 0.00 0.01 0.00 0.00 72.50 71.13 2aym s THR 3 CO 0.32 -0.01 1.00 -1.61 -0.69 0.00 0.00 174.62 173.63 2aym s GLU 4 N -2.70 4.50 0.19 4.92 0.41 -1.26 -3.17 118.70 121.59 2aym s GLU 4 Ca -0.04 1.49 -0.08 0.00 -0.41 0.00 0.00 54.97 55.93 2aym s GLU 4 Cb -0.01 -2.85 -0.02 0.00 -1.78 0.00 0.00 34.13 29.48 2aym s GLU 4 CO -0.04 0.17 0.29 -0.65 -0.49 0.00 0.00 175.26 174.54 2aym s GLN 5 N -1.97 1.26 0.43 1.61 -1.52 -1.26 -4.96 119.66 113.25 2aym s GLN 5 Ca 0.50 -1.31 -0.22 0.00 -1.95 0.00 0.00 55.36 52.38 2aym s GLN 5 Cb -0.23 0.37 -0.12 0.00 -0.22 0.00 0.00 33.01 32.81 2aym s GLN 5 CO 0.29 -0.47 0.62 -2.30 -0.25 0.00 0.00 175.29 173.19 2aym n PRO 6 N -0.26 0.69 -1.54 2.91 -0.02 -1.26 -4.88 135.00 130.63 2aym n PRO 6 Ca -0.04 0.25 -0.42 0.00 -2.02 0.00 0.00 63.50 61.27 2aym n PRO 6 Cb 0.63 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 2aym n PRO 6 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2aym n PRO 7 N 0.45 1.01 -3.96 0.52 -0.02 -1.26 -5.02 135.00 126.72 2aym n PRO 7 Ca 0.11 0.36 -0.09 0.00 -2.02 0.00 0.00 63.50 61.86 2aym n PRO 7 Cb 0.40 -1.78 -0.11 0.00 -0.02 0.00 0.00 33.50 32.00 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 -0.80 0.21 0.00 2.55 2.47 -1.26 -4.94 114.94 113.17 2aym s ASN 8 Ca 0.63 -0.46 0.00 0.00 0.42 0.00 0.00 52.86 53.45 2aym s ASN 8 Cb -0.62 0.12 0.00 0.00 -1.45 0.00 0.00 41.25 39.30 2aym s ASN 8 CO 0.58 -0.31 0.61 0.00 -3.72 0.00 0.00 177.10 174.25 2aym n GLN 9 N 1.56 0.65 -3.85 0.43 10.64 -1.26 -4.61 117.38 120.94 2aym n GLN 9 Ca -0.24 0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 54.81 2aym n GLN 9 Cb 0.55 -1.05 -0.13 0.00 -0.86 0.00 0.00 30.24 28.76 2aym n GLN 9 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 2aym s ILE 10 N -1.86 0.01 0.18 -0.39 1.01 -1.26 -1.31 121.20 117.57 2aym s ILE 10 Ca 0.00 -0.07 0.10 0.00 0.00 0.00 0.00 60.65 60.68 2aym s ILE 10 Cb 0.00 -0.13 -0.04 0.00 0.01 0.00 0.00 42.46 42.30 2aym s ILE 10 CO 0.00 -0.04 -0.22 -0.76 0.00 0.00 0.00 174.94 173.92 2aym s LEU 11 N -0.10 2.43 -0.05 2.97 2.01 0.25 -1.16 118.68 125.04 2aym s LEU 11 Ca -0.01 -0.86 0.06 0.00 0.01 0.00 0.00 54.13 53.33 2aym s LEU 11 Cb -0.01 -1.04 -0.01 0.00 0.01 0.00 0.00 46.19 45.13 2aym s LEU 11 CO 0.00 0.07 -0.25 0.12 1.01 0.00 0.00 176.35 177.30 2aym s PHE 12 N -1.77 2.42 0.14 0.29 5.36 0.03 -1.41 117.98 123.04 2aym s PHE 12 Ca 0.18 -0.64 0.07 0.00 -0.96 0.00 0.00 56.93 55.59 2aym s PHE 12 Cb -0.07 -1.58 -0.04 0.00 -0.34 0.00 0.00 43.02 40.99 2aym s PHE 12 CO 0.09 -0.16 -0.16 -0.51 -1.46 0.00 0.00 175.22 173.01 2aym s LEU 13 N -0.28 2.41 0.23 6.12 1.02 0.21 -0.90 118.68 127.49 2aym s LEU 13 Ca 0.00 -0.82 -0.10 0.00 0.02 0.00 0.00 54.13 53.23 2aym s LEU 13 Cb -0.13 -0.70 -0.01 0.00 0.02 0.00 0.00 46.19 45.37 2aym s LEU 13 CO 0.02 -0.08 0.39 0.42 0.02 0.00 0.00 176.35 177.12 2aym s THR 14 N -2.03 0.01 -1.78 5.49 -4.23 -0.37 -1.51 115.64 111.21 2aym s THR 14 Ca 0.12 -1.52 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 2aym s THR 14 Cb -0.06 -2.23 0.00 0.00 1.34 0.00 0.00 72.50 71.55 2aym s THR 14 CO 0.05 -0.02 0.00 -3.20 -0.54 0.00 0.00 174.62 170.90 2aym n ASN 15 N -0.35 -5.52 -4.73 3.99 5.15 -0.56 -1.45 115.26 111.80 2aym n ASN 15 Ca -0.01 0.42 -0.33 0.00 -0.60 0.00 0.00 54.58 54.06 2aym n ASN 15 Cb 0.63 -4.50 0.10 0.00 -0.53 0.00 0.00 39.78 35.48 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 -3.82 3.17 0.37 1.20 1.43 -0.08 -4.42 118.68 116.52 2aym s LEU 16 Ca 0.00 2.15 -0.25 0.00 -1.03 0.00 0.00 54.13 55.01 2aym s LEU 16 Cb 0.00 -4.56 -0.13 0.00 0.03 0.00 0.00 46.19 41.53 2aym s LEU 16 CO 0.00 -2.30 0.74 -2.65 0.23 0.00 0.00 176.35 172.37 2aym n PRO 17 N -3.17 0.85 0.00 1.29 -0.02 -1.26 -4.41 135.00 128.28 2aym n PRO 17 Ca 0.12 0.30 0.04 0.00 -2.02 0.00 0.00 63.50 61.94 2aym n PRO 17 Cb 0.51 -1.64 0.25 0.00 -0.02 0.00 0.00 33.50 32.60 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 0.57 0.44 0.00 -0.52 0.28 -1.26 -1.83 120.64 118.31 2aym n GLU 18 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.11 2aym n GLU 18 Cb 0.36 -1.30 0.00 0.00 1.43 0.00 0.00 31.44 31.93 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 -0.80 1.66 -1.89 3.44 1.02 -1.26 -4.84 120.64 117.97 2aym n GLU 19 Ca 0.06 -1.08 -0.40 0.00 -0.02 0.00 0.00 57.16 55.73 2aym n GLU 19 Cb 0.03 -0.88 0.01 0.00 -0.02 0.00 0.00 31.44 30.58 2aym n GLU 19 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2aym s THR 20 N -0.61 2.27 0.20 2.62 2.01 -0.76 -5.04 115.64 116.34 2aym s THR 20 Ca 0.00 0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.24 2aym s THR 20 Cb 0.00 -3.14 -0.04 0.00 0.01 0.00 0.00 72.50 69.33 2aym s THR 20 CO 0.00 0.03 0.09 0.54 -0.69 0.00 0.00 174.62 174.59 2aym s ASN 21 N -0.60 0.66 0.30 3.53 2.20 -1.26 -4.88 114.94 114.89 2aym s ASN 21 Ca 0.60 -1.33 0.06 0.00 -0.94 0.00 0.00 52.86 51.25 2aym s ASN 21 Cb -0.42 0.26 0.77 0.00 -2.00 0.00 0.00 41.25 39.87 2aym s ASN 21 CO 0.53 -0.75 1.74 -0.08 -2.94 0.00 0.00 177.10 175.61 2aym h GLU 22 N 2.60 0.60 -0.24 3.55 4.81 -1.96 -1.99 114.58 121.95 2aym h GLU 22 Ca -0.37 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 58.74 2aym h GLU 22 Cb 1.23 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 2aym h GLU 22 CO 0.58 0.40 -0.23 0.52 -0.73 0.00 0.00 179.01 179.55 2aym h MET 23 N 0.62 0.44 0.48 1.92 2.86 -1.98 -1.11 114.93 118.16 2aym h MET 23 Ca 0.59 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 58.05 2aym h MET 23 Cb 1.03 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.66 2aym h MET 23 CO -0.44 0.64 -0.23 0.52 1.06 0.00 0.00 176.91 178.46 2aym h MET 24 N 0.39 -0.63 -0.01 1.72 2.86 -1.78 -0.23 114.93 117.26 2aym h MET 24 Ca 0.06 0.04 -0.14 0.00 -2.06 0.00 0.00 59.70 57.60 2aym h MET 24 Cb 0.61 0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.40 2aym h MET 24 CO 0.04 -0.36 -0.67 -0.07 1.06 0.00 0.00 176.91 176.92 2aym h LEU 25 N -0.78 0.07 -0.30 1.22 3.38 -1.61 -1.34 115.31 115.95 2aym h LEU 25 Ca -0.07 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2aym h LEU 25 Cb 0.56 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2aym h LEU 25 CO 0.11 0.71 0.16 0.28 0.09 0.00 0.00 178.44 179.80 2aym h SER 26 N 0.04 0.38 -0.67 -0.43 0.02 -1.13 0.05 113.55 111.81 2aym h SER 26 Ca -0.01 -0.09 0.03 0.00 -0.84 0.00 0.00 61.79 60.88 2aym h SER 26 Cb 1.18 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.58 2aym h SER 26 CO 0.09 0.36 0.42 -0.03 -1.14 0.00 0.00 176.83 176.52 2aym h MET 27 N 0.37 0.79 0.03 3.45 1.85 -0.75 -0.34 114.93 120.32 2aym h MET 27 Ca 0.11 -0.05 -0.00 0.00 -0.61 0.00 0.00 59.70 59.15 2aym h MET 27 Cb 0.06 -0.18 0.00 0.00 0.43 0.00 0.00 31.60 31.92 2aym h MET 27 CO -0.02 0.52 -0.02 -0.07 -0.40 0.00 0.00 176.91 176.93 2aym h LEU 28 N 0.81 -0.04 0.00 3.39 3.38 -0.85 -3.34 115.31 118.67 2aym h LEU 28 Ca 0.27 -0.37 -0.14 0.00 0.09 0.00 0.00 57.88 57.73 2aym h LEU 28 Cb 0.03 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2aym h LEU 28 CO -0.11 0.36 -0.88 -0.26 0.09 0.00 0.00 178.44 177.63 2aym h PHE 29 N -0.44 0.00 0.00 1.13 -1.00 -0.94 -3.33 116.94 112.35 2aym h PHE 29 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2aym h PHE 29 Cb 0.41 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.97 2aym h PHE 29 CO 0.06 0.57 0.00 -1.71 -1.61 0.00 0.00 178.31 175.62 2aym n ASN 30 N -3.11 0.33 0.12 2.17 5.15 -0.15 -1.76 115.26 118.02 2aym n ASN 30 Ca -0.02 0.61 0.15 0.00 -0.60 0.00 0.00 54.58 54.71 2aym n ASN 30 Cb 0.79 -0.67 0.67 0.00 -0.53 0.00 0.00 39.78 40.04 2aym n ASN 30 CO 0.00 0.00 0.00 0.06 1.40 0.00 0.00 177.26 178.72 2aym h GLN 31 N 0.00 0.00 -6.34 1.20 3.07 -1.74 -3.42 115.11 107.89 2aym h GLN 31 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 58.65 58.20 2aym h GLN 31 Cb 0.17 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.69 2aym h GLN 31 CO 0.00 0.00 0.17 -0.06 0.09 0.00 0.00 178.83 179.03 2aym s PHE 32 N -5.04 3.76 0.00 0.06 0.08 -0.72 -4.95 117.98 111.18 2aym s PHE 32 Ca -0.05 1.51 0.00 0.00 0.12 0.00 0.00 56.93 58.51 2aym s PHE 32 Cb 0.18 -2.83 0.00 0.00 -0.57 0.00 0.00 43.02 39.81 2aym s PHE 32 CO 0.70 0.30 1.06 -0.35 -0.10 0.00 0.00 175.22 176.84 2aym n PRO 33 N 2.64 0.76 0.00 0.24 -0.04 -1.26 -2.67 135.00 134.67 2aym n PRO 33 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2aym n PRO 33 Cb 0.50 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 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 1.02 1.00 3.61 0.55 0.00 -1.26 -5.03 105.19 105.08 2aym n GLY 34 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 0.91 0.07 1.61 7.35 -1.09 -0.26 117.46 126.05 2aym n PHE 35 Ca 0.00 0.48 0.00 0.00 -0.76 0.00 0.00 57.45 57.17 2aym n PHE 35 Cb 0.09 -2.17 0.00 0.00 0.35 0.00 0.00 39.48 37.75 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 -0.48 0.00 -3.70 -4.13 4.76 -0.45 -4.70 118.16 109.47 2aym n LYS 36 Ca 0.12 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.47 2aym n LYS 36 Cb 0.44 -0.31 -0.02 0.00 -1.84 0.00 0.00 35.03 33.30 2aym n LYS 36 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2aym s GLU 37 N -2.00 1.51 0.10 1.97 2.12 -0.65 -5.01 118.70 116.74 2aym s GLU 37 Ca 0.00 -0.76 0.03 0.00 0.36 0.00 0.00 54.97 54.61 2aym s GLU 37 Cb 0.00 0.57 -0.04 0.00 0.26 0.00 0.00 34.13 34.92 2aym s GLU 37 CO 0.00 -0.68 -0.09 0.14 -0.54 0.00 0.00 175.26 174.09 2aym s VAL 38 N -3.74 0.88 -0.32 3.70 -7.23 -1.26 -0.52 120.40 111.90 2aym s VAL 38 Ca 0.08 -1.69 -0.02 0.00 -1.81 0.00 0.00 61.98 58.55 2aym s VAL 38 Cb -0.04 -1.40 0.12 0.00 0.56 0.00 0.00 36.38 35.62 2aym s VAL 38 CO -0.00 -0.62 0.19 -0.13 -0.31 0.00 0.00 175.10 174.22 2aym s ARG 39 N -2.97 0.37 1.06 4.82 0.52 0.31 -4.98 118.95 118.08 2aym s ARG 39 Ca 0.06 -0.86 -0.12 0.00 -0.52 0.00 0.00 55.73 54.29 2aym s ARG 39 Cb -0.01 -1.17 0.22 0.00 0.52 0.00 0.00 34.95 34.52 2aym s ARG 39 CO -0.01 -1.11 1.07 -0.51 0.02 0.00 0.00 175.30 174.76 2aym s LEU 40 N 1.65 1.33 -0.63 2.53 2.01 -1.26 -0.92 118.68 123.39 2aym s LEU 40 Ca 0.13 1.35 0.00 0.00 0.01 0.00 0.00 54.13 55.63 2aym s LEU 40 Cb -0.19 -3.43 0.16 0.00 0.01 0.00 0.00 46.19 42.74 2aym s LEU 40 CO -0.19 -3.56 0.42 -0.69 1.01 0.00 0.00 176.35 173.34 2aym s VAL 41 N -2.76 3.32 -0.04 -1.59 1.01 -1.20 -4.89 120.40 114.26 2aym s VAL 41 Ca 0.66 -3.32 0.00 0.00 0.00 0.00 0.00 61.98 59.33 2aym s VAL 41 Cb -0.21 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 32.98 2aym s VAL 41 CO 0.60 -0.89 0.69 -0.81 0.00 0.00 0.00 175.10 174.70 2aym n PRO 42 N 3.08 0.71 0.00 2.72 -0.04 -1.26 -0.72 135.00 139.48 2aym n PRO 42 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2aym n PRO 42 Cb 0.35 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 2aym n PRO 42 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2aym n ASN 43 N 0.63 0.43 0.00 3.54 0.23 -1.26 -4.86 115.26 113.97 2aym n ASN 43 Ca 0.00 -0.36 0.00 0.00 -0.53 0.00 0.00 54.58 53.69 2aym n ASN 43 Cb 0.35 0.80 0.00 0.00 -2.08 0.00 0.00 39.78 38.85 2aym n ASN 43 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2aym n ARG 44 N -0.85 2.17 0.00 -3.83 1.74 -0.07 -5.04 116.66 110.78 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 -0.78 0.00 0.00 -1.02 0.00 0.00 32.46 30.66 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 -1.37 0.00 0.40 -1.55 8.25 0.10 -4.69 115.22 116.36 2aym n HIS 45 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.59 2aym n HIS 45 Cb 0.28 -0.60 0.50 0.00 1.12 0.00 0.00 29.99 31.30 2aym n HIS 45 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 2aym h ASP 46 N 0.00 0.00 -4.33 0.41 3.58 -1.77 -3.41 116.42 110.90 2aym h ASP 46 Ca 0.00 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.16 2aym h ASP 46 Cb 0.00 0.00 -0.16 0.00 1.72 0.00 0.00 39.33 40.89 2aym h ASP 46 CO 0.00 0.00 -0.72 0.27 -2.88 0.00 0.00 179.24 175.91 2aym s ILE 47 N -3.34 0.92 0.33 2.25 -4.36 -1.26 -0.90 121.20 114.84 2aym s ILE 47 Ca 0.05 -1.84 -0.18 0.00 -0.26 0.00 0.00 60.65 58.41 2aym s ILE 47 Cb 0.10 -1.58 0.04 0.00 1.25 0.00 0.00 42.46 42.27 2aym s ILE 47 CO 0.45 -0.71 0.78 0.00 0.24 0.00 0.00 174.94 175.71 2aym s ALA 48 N -3.04 -0.97 0.10 2.27 0.00 -0.57 -3.22 121.76 116.33 2aym s ALA 48 Ca 0.10 -0.55 0.08 0.00 0.00 0.00 0.00 51.96 51.59 2aym s ALA 48 Cb 0.01 0.74 -0.03 0.00 0.00 0.00 0.00 23.12 23.83 2aym s ALA 48 CO -0.01 -1.01 -0.21 -0.06 0.00 0.00 0.00 175.76 174.47 2aym s PHE 49 N -2.87 1.81 -0.01 0.00 0.40 -0.10 -0.62 117.98 116.60 2aym s PHE 49 Ca 0.14 -0.41 0.03 0.00 -0.60 0.00 0.00 56.93 56.08 2aym s PHE 49 Cb -0.05 -1.00 -0.01 0.00 0.51 0.00 0.00 43.02 42.48 2aym s PHE 49 CO 0.09 0.21 -0.08 0.08 0.70 0.00 0.00 175.22 176.21 2aym s VAL 50 N -1.14 0.67 -0.01 -0.44 1.01 -0.50 -0.53 120.40 119.47 2aym s VAL 50 Ca 0.07 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.72 2aym s VAL 50 Cb -0.10 -0.57 -0.01 0.00 0.00 0.00 0.00 36.38 35.70 2aym s VAL 50 CO 0.04 0.19 -0.10 -0.70 0.00 0.00 0.00 175.10 174.53 2aym s GLU 51 N -0.15 0.85 0.17 2.72 2.12 0.32 -0.58 118.70 124.14 2aym s GLU 51 Ca 0.03 -0.37 0.00 0.00 0.36 0.00 0.00 54.97 54.99 2aym s GLU 51 Cb -0.04 -0.82 -0.04 0.00 0.26 0.00 0.00 34.13 33.49 2aym s GLU 51 CO -0.00 0.22 0.05 -0.06 -0.54 0.00 0.00 175.26 174.93 2aym s PHE 52 N -0.22 1.09 0.06 5.30 0.40 -0.43 -1.33 117.98 122.84 2aym s PHE 52 Ca 0.04 -1.18 -0.23 0.00 -0.60 0.00 0.00 56.93 54.96 2aym s PHE 52 Cb -0.04 -0.61 -0.14 0.00 0.51 0.00 0.00 43.02 42.74 2aym s PHE 52 CO -0.00 -0.42 1.56 1.15 0.70 0.00 0.00 175.22 178.21 2aym h THR 53 N 2.72 1.18 -3.77 0.64 2.02 -0.89 -3.45 112.91 111.36 2aym h THR 53 Ca -0.36 -0.54 -0.16 0.00 0.77 0.00 0.00 66.41 66.13 2aym h THR 53 Cb 1.21 1.40 -0.21 0.00 -1.74 0.00 0.00 68.15 68.81 2aym h THR 53 CO 0.60 0.15 -0.60 0.42 0.37 0.00 0.00 175.52 176.46 2aym s THR 54 N -5.36 0.10 0.26 3.16 -4.23 -1.26 -4.99 115.64 103.31 2aym s THR 54 Ca -0.14 -0.82 -0.05 0.00 -1.18 0.00 0.00 61.69 59.50 2aym s THR 54 Cb 0.05 -0.35 0.25 0.00 1.34 0.00 0.00 72.50 73.79 2aym s THR 54 CO 0.68 -0.45 1.93 -0.33 -0.54 0.00 0.00 174.62 175.91 2aym h GLU 55 N 4.45 1.26 -0.45 3.99 3.07 -1.90 -0.92 114.58 124.08 2aym h GLU 55 Ca -0.31 -0.09 -0.14 0.00 -0.50 0.00 0.00 59.36 58.32 2aym h GLU 55 Cb 1.20 -0.28 -0.01 0.00 -0.84 0.00 0.00 28.75 28.82 2aym h GLU 55 CO 0.41 0.85 -0.26 -0.07 -1.40 0.00 0.00 179.01 178.53 2aym h LEU 56 N 1.29 1.00 -0.42 1.33 4.07 -1.93 0.19 115.31 120.84 2aym h LEU 56 Ca 0.34 -0.40 -0.17 0.00 0.08 0.00 0.00 57.88 57.74 2aym h LEU 56 Cb -0.12 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 41.34 2aym h LEU 56 CO -0.07 1.19 -0.49 1.56 -1.08 0.00 0.00 178.44 179.55 2aym h GLN 57 N 0.82 0.78 -0.43 1.13 4.20 -1.88 -1.03 115.11 118.70 2aym h GLN 57 Ca 0.10 -0.46 0.06 0.00 0.06 0.00 0.00 58.65 58.40 2aym h GLN 57 Cb 0.84 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.61 2aym h GLN 57 CO 0.07 1.09 0.15 0.77 -0.67 0.00 0.00 178.83 180.24 2aym h SER 58 N 0.61 0.14 -0.19 1.46 0.02 -1.00 -0.41 113.55 114.18 2aym h SER 58 Ca 0.03 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2aym h SER 58 Cb 1.07 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.64 2aym h SER 58 CO 0.11 0.12 0.11 -1.13 -1.14 0.00 0.00 176.83 174.90 2aym h ASN 59 N 0.31 0.19 -0.62 3.07 -1.24 -0.72 0.29 115.58 116.85 2aym h ASN 59 Ca 0.20 -0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.21 2aym h ASN 59 Cb 0.20 -0.04 -0.03 0.00 0.73 0.00 0.00 38.32 39.18 2aym h ASN 59 CO -0.21 0.14 0.37 0.00 -1.29 0.00 0.00 177.43 176.44 2aym h ALA 60 N 1.08 0.79 -0.54 1.57 0.00 -0.82 0.62 119.26 121.96 2aym h ALA 60 Ca 0.07 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2aym h ALA 60 Cb -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2aym h ALA 60 CO -0.03 0.27 0.13 0.00 0.00 0.00 0.00 179.25 179.62 2aym h ALA 61 N 1.19 0.72 -0.01 0.00 0.00 -0.87 -0.74 119.26 119.55 2aym h ALA 61 Ca 0.22 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2aym h ALA 61 Cb -0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2aym h ALA 61 CO -0.04 0.42 -0.04 -0.22 0.00 0.00 0.00 179.25 179.36 2aym h LYS 62 N 0.77 -0.07 -0.81 0.00 3.11 -0.54 -0.78 116.57 118.25 2aym h LYS 62 Ca 0.17 0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 58.01 2aym h LYS 62 Cb 0.34 0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 31.55 2aym h LYS 62 CO 0.00 -0.05 0.47 0.93 -2.81 0.00 0.00 179.45 177.99 2aym h GLU 63 N -0.08 1.11 -0.40 1.90 4.39 -0.70 -0.08 114.58 120.72 2aym h GLU 63 Ca 0.02 -0.11 -0.12 0.00 0.34 0.00 0.00 59.36 59.49 2aym h GLU 63 Cb 0.10 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 2aym h GLU 63 CO -0.05 0.79 -0.21 0.00 -1.16 0.00 0.00 179.01 178.37 2aym h ALA 64 N 1.40 0.57 -0.01 3.43 0.00 -0.82 -3.35 119.26 120.48 2aym h ALA 64 Ca 0.29 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2aym h ALA 64 Cb -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2aym h ALA 64 CO -0.05 0.54 -0.22 1.28 0.00 0.00 0.00 179.25 180.80 2aym n LEU 65 N -4.21 1.67 -4.68 0.00 4.77 -0.32 -4.86 117.00 109.37 2aym n LEU 65 Ca -0.02 -0.82 -0.46 0.00 -0.03 0.00 0.00 56.01 54.68 2aym n LEU 65 Cb 0.44 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.49 2aym n LEU 65 CO 0.45 0.32 1.28 0.00 -1.33 0.00 0.00 177.39 178.11 2aym n GLN 66 N 0.08 2.26 -0.98 3.23 6.02 -0.06 -1.39 117.38 126.53 2aym n GLN 66 Ca 0.06 0.82 0.00 0.00 -0.01 0.00 0.00 57.00 57.87 2aym n GLN 66 Cb 0.31 -2.62 0.00 0.00 1.02 0.00 0.00 30.24 28.96 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 3.69 0.72 3.68 1.08 0.00 0.23 -4.99 105.19 109.61 2aym n GLY 67 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.96 2.52 -0.35 1.61 5.36 -0.49 -4.46 117.98 119.21 2aym s PHE 68 Ca 0.00 0.54 -0.28 0.00 -0.96 0.00 0.00 56.93 56.23 2aym s PHE 68 Cb 0.00 -3.80 -0.04 0.00 -0.34 0.00 0.00 43.02 38.84 2aym s PHE 68 CO 0.00 -3.15 2.04 0.15 -1.46 0.00 0.00 175.22 172.80 2aym s LYS 69 N 2.92 2.98 0.05 10.12 3.01 -1.26 -0.47 119.74 137.08 2aym s LYS 69 Ca 0.68 1.51 -0.19 0.00 -1.01 0.00 0.00 55.97 56.97 2aym s LYS 69 Cb -0.34 -4.34 -0.13 0.00 -1.01 0.00 0.00 37.83 32.01 2aym s LYS 69 CO 0.28 -2.28 1.35 0.82 0.51 0.00 0.00 175.35 176.04 2aym h ILE 70 N 7.07 1.34 -3.57 2.17 2.04 -1.51 -3.45 117.51 121.60 2aym h ILE 70 Ca -0.34 -1.37 -0.31 0.00 1.00 0.00 0.00 64.86 63.85 2aym h ILE 70 Cb 1.21 1.84 -0.15 0.00 -0.74 0.00 0.00 36.82 38.98 2aym h ILE 70 CO 1.05 0.41 -0.68 0.42 0.00 0.00 0.00 178.15 179.35 2aym s THR 71 N -4.27 0.89 0.65 -0.27 -4.23 -1.25 -5.03 115.64 102.14 2aym s THR 71 Ca -0.14 -2.01 0.21 0.00 -1.18 0.00 0.00 61.69 58.58 2aym s THR 71 Cb 0.06 -2.02 0.23 0.00 1.34 0.00 0.00 72.50 72.11 2aym s THR 71 CO 0.77 -0.58 1.62 -0.65 -0.54 0.00 0.00 174.62 175.23 2aym h PRO 72 N 2.71 0.00 0.00 3.99 0.11 -2.00 -0.56 132.00 136.25 2aym h PRO 72 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2aym h PRO 72 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2aym h PRO 72 CO 0.64 0.00 -0.00 0.25 -0.21 0.00 0.00 178.00 178.67 2aym n THR 73 N -2.91 0.96 -3.49 -1.15 -2.24 -1.26 -4.86 114.28 99.33 2aym n THR 73 Ca 0.02 -0.98 -0.27 0.00 -2.27 0.00 0.00 64.05 60.55 2aym n THR 73 Cb 0.67 0.50 -0.10 0.00 -2.10 0.00 0.00 70.33 69.30 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 -0.51 1.21 -2.03 4.78 8.25 -0.22 -5.04 115.22 121.66 2aym n HIS 74 Ca 0.01 -3.80 -0.43 0.00 -0.26 0.00 0.00 57.72 53.24 2aym n HIS 74 Cb 0.30 -0.27 -0.03 0.00 1.12 0.00 0.00 29.99 31.11 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 -1.12 3.05 -0.28 -1.41 0.00 -1.26 -1.18 121.76 119.56 2aym s ALA 75 Ca 0.33 0.38 -0.37 0.00 0.00 0.00 0.00 51.96 52.30 2aym s ALA 75 Cb 0.07 -3.95 -0.13 0.00 0.00 0.00 0.00 23.12 19.11 2aym s ALA 75 CO -0.14 -2.33 1.98 -0.12 0.00 0.00 0.00 175.76 175.15 2aym n MET 76 N 8.11 1.32 -3.42 0.00 1.56 0.37 -4.77 117.12 120.29 2aym n MET 76 Ca 0.21 0.44 -0.38 0.00 -0.27 0.00 0.00 57.70 57.70 2aym n MET 76 Cb 0.46 -2.37 -0.06 0.00 2.15 0.00 0.00 33.22 33.40 2aym n MET 76 CO 0.00 0.00 0.00 0.21 -0.73 0.00 0.00 175.97 175.45 2aym s LYS 77 N 4.89 4.08 0.04 2.12 2.20 -0.53 -0.60 119.74 131.93 2aym s LYS 77 Ca 1.03 0.46 0.04 0.00 -0.36 0.00 0.00 55.97 57.14 2aym s LYS 77 Cb -0.91 -3.29 -0.02 0.00 -1.51 0.00 0.00 37.83 32.11 2aym s LYS 77 CO 0.56 0.53 -0.12 0.42 -0.36 0.00 0.00 175.35 176.37 2aym s ILE 78 N -0.60 0.98 0.05 5.43 1.01 -1.26 -1.24 121.20 125.57 2aym s ILE 78 Ca 0.25 -0.95 -0.04 0.00 0.00 0.00 0.00 60.65 59.91 2aym s ILE 78 Cb -0.17 -0.90 -0.02 0.00 0.01 0.00 0.00 42.46 41.38 2aym s ILE 78 CO 0.13 -0.05 0.05 0.42 0.00 0.00 0.00 174.94 175.49 2aym s THR 79 N -0.87 0.17 0.18 2.92 -4.23 -0.08 -4.99 115.64 108.74 2aym s THR 79 Ca -0.00 -1.40 -0.30 0.00 -1.18 0.00 0.00 61.69 58.80 2aym s THR 79 Cb -0.08 -1.19 -0.08 0.00 1.34 0.00 0.00 72.50 72.49 2aym s THR 79 CO 0.01 -0.78 1.27 -0.36 -0.54 0.00 0.00 174.62 174.22 2aym s PHE 80 N -3.30 3.32 0.91 3.99 0.08 -1.19 -0.79 117.98 121.01 2aym s PHE 80 Ca 0.01 1.27 -0.13 0.00 0.12 0.00 0.00 56.93 58.20 2aym s PHE 80 Cb 0.03 -3.54 0.14 0.00 -0.57 0.00 0.00 43.02 39.08 2aym s PHE 80 CO -0.08 -1.65 1.17 0.00 -0.10 0.00 0.00 175.22 174.56 2aym s ALA 81 N 0.20 1.94 0.32 5.36 0.00 -0.31 -4.35 121.76 124.93 2aym s ALA 81 Ca 0.56 -0.66 0.06 0.00 0.00 0.00 0.00 51.96 51.91 2aym s ALA 81 Cb -0.35 -2.98 -0.06 0.00 0.00 0.00 0.00 23.12 19.73 2aym s ALA 81 CO 0.36 -2.26 -0.00 0.15 0.00 0.00 0.00 175.76 174.01 2aym s LYS 82 N -5.43 1.66 0.00 0.00 1.02 -1.26 -4.79 119.74 110.93 2aym s LYS 82 Ca 0.65 -1.89 0.00 0.00 0.02 0.00 0.00 55.97 54.75 2aym s LYS 82 Cb -0.12 -1.12 0.00 0.00 -0.52 0.00 0.00 37.83 36.07 2aym s LYS 82 CO 0.52 -0.07 0.15 1.63 -0.92 0.00 0.00 175.35 176.67