#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 0.56 0.65 0.00 -2.07 -1.26 -5.13 119.66 112.41 2aym s GLN 2 Ca 0.00 0.38 -0.12 0.00 -1.82 0.00 0.00 55.36 53.80 2aym s GLN 2 Cb 0.00 0.27 -0.01 0.00 -1.09 0.00 0.00 33.01 32.17 2aym s GLN 2 CO 0.00 -0.10 1.05 0.95 -1.32 0.00 0.00 175.29 175.86 2aym s THR 3 N -0.23 4.15 -0.05 3.63 -4.23 -1.26 -5.09 115.64 112.56 2aym s THR 3 Ca -0.04 0.77 -0.02 0.00 -1.18 0.00 0.00 61.69 61.23 2aym s THR 3 Cb -0.03 -3.50 0.04 0.00 1.34 0.00 0.00 72.50 70.34 2aym s THR 3 CO 0.02 -0.84 0.10 -0.70 -0.54 0.00 0.00 174.62 172.66 2aym s GLU 4 N -4.83 0.03 0.23 3.99 2.12 -1.26 -4.17 118.70 114.80 2aym s GLU 4 Ca 0.58 0.30 -0.12 0.00 0.36 0.00 0.00 54.97 56.10 2aym s GLU 4 Cb -0.14 -0.22 -0.01 0.00 0.26 0.00 0.00 34.13 34.03 2aym s GLU 4 CO 0.50 -0.17 0.43 -0.65 -0.54 0.00 0.00 175.26 174.83 2aym s GLN 5 N 1.17 1.45 0.97 4.30 -1.52 -1.26 -5.03 119.66 119.74 2aym s GLN 5 Ca -0.09 -1.24 -0.14 0.00 -1.95 0.00 0.00 55.36 51.95 2aym s GLN 5 Cb -0.12 0.45 0.02 0.00 -0.22 0.00 0.00 33.01 33.13 2aym s GLN 5 CO -0.05 -0.59 0.20 -2.30 -0.25 0.00 0.00 175.29 172.30 2aym n PRO 6 N -0.35 -0.35 -1.54 2.91 -0.02 -1.26 -4.85 135.00 129.53 2aym n PRO 6 Ca -0.03 -0.07 -0.44 0.00 -2.02 0.00 0.00 63.50 60.94 2aym n PRO 6 Cb 0.62 -1.73 -0.01 0.00 -0.02 0.00 0.00 33.50 32.37 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 -1.15 1.05 -3.82 0.52 -0.02 -1.26 -4.96 135.00 125.36 2aym n PRO 7 Ca 0.05 0.37 -0.12 0.00 -2.02 0.00 0.00 63.50 61.78 2aym n PRO 7 Cb 0.55 -1.70 -0.09 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 -0.70 -0.08 0.00 2.55 2.47 -1.26 -4.95 114.94 112.97 2aym s ASN 8 Ca 0.61 -0.08 0.07 0.00 0.42 0.00 0.00 52.86 53.88 2aym s ASN 8 Cb -0.70 0.26 0.40 0.00 -1.45 0.00 0.00 41.25 39.76 2aym s ASN 8 CO 0.59 -0.41 1.03 0.00 -3.72 0.00 0.00 177.10 174.59 2aym n GLN 9 N 1.33 0.74 -4.42 0.43 10.64 -1.26 -4.64 117.38 120.20 2aym n GLN 9 Ca -0.22 0.00 -0.19 0.00 -1.83 0.00 0.00 57.00 54.76 2aym n GLN 9 Cb 0.56 -1.14 -0.15 0.00 -0.86 0.00 0.00 30.24 28.65 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 -2.00 0.81 0.04 -0.39 1.01 -1.26 -0.63 121.20 118.78 2aym s ILE 10 Ca 0.10 -0.47 0.07 0.00 0.00 0.00 0.00 60.65 60.35 2aym s ILE 10 Cb 0.05 -0.68 -0.02 0.00 0.01 0.00 0.00 42.46 41.81 2aym s ILE 10 CO 0.08 0.21 -0.21 -0.76 0.00 0.00 0.00 174.94 174.25 2aym s LEU 11 N -0.30 2.16 -0.08 2.97 1.43 0.13 -1.17 118.68 123.82 2aym s LEU 11 Ca 0.04 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.63 2aym s LEU 11 Cb -0.04 -0.99 -0.03 0.00 0.03 0.00 0.00 46.19 45.16 2aym s LEU 11 CO -0.00 0.17 -0.10 0.12 0.23 0.00 0.00 176.35 176.76 2aym s PHE 12 N -0.79 2.84 0.06 0.29 5.36 0.07 -1.44 117.98 124.38 2aym s PHE 12 Ca 0.08 -0.19 0.06 0.00 -0.96 0.00 0.00 56.93 55.91 2aym s PHE 12 Cb -0.09 -1.73 -0.03 0.00 -0.34 0.00 0.00 43.02 40.83 2aym s PHE 12 CO 0.02 0.14 -0.17 -0.51 -1.46 0.00 0.00 175.22 173.24 2aym s LEU 13 N -0.45 2.21 0.33 6.12 1.02 0.15 -0.80 118.68 127.26 2aym s LEU 13 Ca 0.06 -0.54 0.03 0.00 0.02 0.00 0.00 54.13 53.70 2aym s LEU 13 Cb -0.12 -0.75 -0.02 0.00 0.02 0.00 0.00 46.19 45.32 2aym s LEU 13 CO 0.02 0.06 0.34 0.42 0.02 0.00 0.00 176.35 177.21 2aym s THR 14 N -0.95 0.00 -1.54 5.49 -4.23 -0.33 -1.26 115.64 112.81 2aym s THR 14 Ca 0.04 -1.85 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 2aym s THR 14 Cb -0.09 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.20 2aym s THR 14 CO 0.02 0.00 0.00 -3.20 -0.54 0.00 0.00 174.62 170.90 2aym n ASN 15 N -1.40 -4.92 -4.89 3.99 5.15 -0.86 -1.36 115.26 110.96 2aym n ASN 15 Ca 0.05 0.15 -0.29 0.00 -0.60 0.00 0.00 54.58 53.89 2aym n ASN 15 Cb 0.62 -4.19 0.07 0.00 -0.53 0.00 0.00 39.78 35.76 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 -5.50 2.66 0.95 1.20 1.43 -0.54 -4.07 118.68 114.81 2aym s LEU 16 Ca 0.00 0.93 -0.14 0.00 -1.03 0.00 0.00 54.13 53.89 2aym s LEU 16 Cb 0.00 -3.55 -0.01 0.00 0.03 0.00 0.00 46.19 42.65 2aym s LEU 16 CO 0.00 -1.68 0.10 -2.65 0.23 0.00 0.00 176.35 172.35 2aym n PRO 17 N -3.20 -0.19 0.00 1.29 -0.02 -1.26 -4.46 135.00 127.16 2aym n PRO 17 Ca 0.08 -0.03 0.09 0.00 -2.02 0.00 0.00 63.50 61.62 2aym n PRO 17 Cb 0.59 -1.63 0.54 0.00 -0.02 0.00 0.00 33.50 32.98 2aym n PRO 17 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2aym n GLU 18 N -0.58 0.85 -0.08 -0.52 1.02 -1.26 -3.05 120.64 117.01 2aym n GLU 18 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 2aym n GLU 18 Cb 0.54 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.63 2aym n GLU 18 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2aym n GLU 19 N -0.83 0.26 -1.71 3.49 1.02 -1.26 -4.79 120.64 116.82 2aym n GLU 19 Ca 0.14 -0.70 -0.42 0.00 -0.02 0.00 0.00 57.16 56.16 2aym n GLU 19 Cb 0.06 -0.56 -0.00 0.00 -0.02 0.00 0.00 31.44 30.92 2aym n GLU 19 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2aym n THR 20 N -0.06 2.08 -4.22 2.62 -1.04 -1.24 -5.03 114.28 107.39 2aym n THR 20 Ca 0.00 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.05 61.39 2aym n THR 20 Cb 0.52 -1.61 -0.10 0.00 -1.82 0.00 0.00 70.33 67.31 2aym n THR 20 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2aym s ASN 21 N -0.32 0.76 0.40 8.00 2.20 -1.26 -4.75 114.94 119.96 2aym s ASN 21 Ca 0.56 -1.25 0.17 0.00 -0.94 0.00 0.00 52.86 51.39 2aym s ASN 21 Cb -0.55 0.22 1.05 0.00 -2.00 0.00 0.00 41.25 39.97 2aym s ASN 21 CO 0.62 -0.69 1.81 -0.08 -2.94 0.00 0.00 177.10 175.82 2aym h GLU 22 N 2.68 0.43 -0.74 3.55 4.81 -1.96 -1.44 114.58 121.91 2aym h GLU 22 Ca -0.36 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 2aym h GLU 22 Cb 1.22 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.46 2aym h GLU 22 CO 0.60 0.29 0.47 1.98 -0.73 0.00 0.00 179.01 181.62 2aym h MET 23 N 0.45 0.99 0.62 1.92 4.05 -1.98 -1.07 114.93 119.91 2aym h MET 23 Ca 0.54 -0.07 -0.03 0.00 -0.28 0.00 0.00 59.70 59.86 2aym h MET 23 Cb 1.29 -0.22 -0.00 0.00 -0.80 0.00 0.00 31.60 31.87 2aym h MET 23 CO -0.25 0.68 -0.34 0.52 0.23 0.00 0.00 176.91 177.75 2aym h MET 24 N 1.01 -0.86 -0.04 0.39 2.86 -1.68 0.68 114.93 117.29 2aym h MET 24 Ca 0.27 0.06 -0.14 0.00 -2.06 0.00 0.00 59.70 57.83 2aym h MET 24 Cb -0.08 0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 2aym h MET 24 CO -0.05 -0.57 -0.61 -0.07 1.06 0.00 0.00 176.91 176.66 2aym h LEU 25 N -0.89 0.15 -0.07 1.22 3.38 -1.63 -1.20 115.31 116.27 2aym h LEU 25 Ca -0.08 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 2aym h LEU 25 Cb 0.71 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 2aym h LEU 25 CO 0.10 0.73 0.03 0.28 0.09 0.00 0.00 178.44 179.67 2aym h SER 26 N 0.10 0.10 -0.60 -0.43 0.02 -1.01 0.48 113.55 112.21 2aym h SER 26 Ca -0.01 -0.18 0.04 0.00 -0.84 0.00 0.00 61.79 60.80 2aym h SER 26 Cb 1.10 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.58 2aym h SER 26 CO 0.09 0.25 0.39 -0.03 -1.14 0.00 0.00 176.83 176.39 2aym h MET 27 N -0.06 0.67 0.12 3.45 1.85 -0.57 0.56 114.93 120.95 2aym h MET 27 Ca 0.02 -0.04 -0.01 0.00 -0.61 0.00 0.00 59.70 59.07 2aym h MET 27 Cb 0.18 -0.15 0.00 0.00 0.43 0.00 0.00 31.60 32.07 2aym h MET 27 CO -0.00 0.44 -0.06 -0.07 -0.40 0.00 0.00 176.91 176.82 2aym h LEU 28 N 0.69 -0.14 -0.11 3.39 3.38 -0.97 -3.39 115.31 118.15 2aym h LEU 28 Ca 0.24 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 2aym h LEU 28 Cb 0.10 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2aym h LEU 28 CO -0.07 0.44 -0.57 -0.26 0.09 0.00 0.00 178.44 178.07 2aym h PHE 29 N -1.00 0.00 0.00 1.13 -1.00 -0.84 -3.27 116.94 111.96 2aym h PHE 29 Ca -0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.76 2aym h PHE 29 Cb 0.36 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.92 2aym h PHE 29 CO 0.06 0.57 0.00 0.27 -1.61 0.00 0.00 178.31 177.61 2aym n ASN 30 N -3.28 0.00 0.21 2.17 6.94 0.18 -1.65 115.26 119.82 2aym n ASN 30 Ca 0.01 0.40 0.06 0.00 -0.02 0.00 0.00 54.58 55.03 2aym n ASN 30 Cb 0.74 -0.44 0.56 0.00 -2.36 0.00 0.00 39.78 38.29 2aym n ASN 30 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 2aym h GLN 31 N 0.00 0.09 -6.50 -3.83 4.20 -1.77 -3.43 115.11 103.87 2aym h GLN 31 Ca 0.00 -0.01 -0.52 0.00 0.06 0.00 0.00 58.65 58.18 2aym h GLN 31 Cb 0.15 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 2aym h GLN 31 CO 0.00 0.12 0.25 -0.06 -0.67 0.00 0.00 178.83 178.46 2aym s PHE 32 N -4.99 3.84 0.00 2.96 0.08 -0.66 -4.94 117.98 114.27 2aym s PHE 32 Ca -0.05 1.67 0.00 0.00 0.12 0.00 0.00 56.93 58.67 2aym s PHE 32 Cb 0.17 -2.89 0.00 0.00 -0.57 0.00 0.00 43.02 39.73 2aym s PHE 32 CO 0.69 0.35 0.81 -0.35 -0.10 0.00 0.00 175.22 176.62 2aym n PRO 33 N 2.26 0.75 0.00 0.24 -0.04 -1.26 -2.57 135.00 134.38 2aym n PRO 33 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 2aym n PRO 33 Cb 0.49 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 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 0.71 0.99 3.56 0.55 0.00 -1.26 -5.03 105.19 104.71 2aym n GLY 34 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.01 0.49 0.00 1.61 -0.00 -1.06 -0.33 117.46 118.16 2aym n PHE 35 Ca 0.00 0.53 0.00 0.00 -0.00 0.00 0.00 57.45 57.98 2aym n PHE 35 Cb 0.08 -2.12 0.00 0.00 -0.00 0.00 0.00 39.48 37.44 2aym n PHE 35 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 2aym n LYS 36 N -0.01 0.00 -3.61 -4.13 4.81 -0.25 -4.65 118.16 110.33 2aym n LYS 36 Ca 0.11 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.45 2aym n LYS 36 Cb 0.42 -0.29 -0.02 0.00 0.02 0.00 0.00 35.03 35.16 2aym n LYS 36 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2aym s GLU 37 N -1.65 1.49 0.03 1.64 2.12 -0.54 -4.98 118.70 116.82 2aym s GLU 37 Ca 0.00 -0.69 0.06 0.00 0.36 0.00 0.00 54.97 54.70 2aym s GLU 37 Cb 0.00 0.60 -0.02 0.00 0.26 0.00 0.00 34.13 34.97 2aym s GLU 37 CO 0.00 -0.67 -0.17 0.08 -0.54 0.00 0.00 175.26 173.96 2aym s VAL 38 N -3.82 1.38 -0.40 3.70 1.01 -1.26 -0.64 120.40 120.37 2aym s VAL 38 Ca 0.05 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.04 2aym s VAL 38 Cb -0.03 -1.20 0.14 0.00 0.00 0.00 0.00 36.38 35.29 2aym s VAL 38 CO -0.05 0.17 0.24 -0.13 0.00 0.00 0.00 175.10 175.34 2aym s ARG 39 N -0.97 0.87 1.14 2.72 0.52 0.05 -4.98 118.95 118.29 2aym s ARG 39 Ca 0.05 -1.69 -0.14 0.00 -0.52 0.00 0.00 55.73 53.43 2aym s ARG 39 Cb -0.08 -1.68 0.26 0.00 0.52 0.00 0.00 34.95 33.97 2aym s ARG 39 CO 0.01 -1.22 1.05 -1.17 0.02 0.00 0.00 175.30 173.99 2aym s LEU 40 N 0.65 0.87 -0.63 2.53 1.98 -1.26 -1.03 118.68 121.79 2aym s LEU 40 Ca 0.20 1.21 0.03 0.00 -2.89 0.00 0.00 54.13 52.68 2aym s LEU 40 Cb -0.19 -3.14 0.15 0.00 0.66 0.00 0.00 46.19 43.67 2aym s LEU 40 CO -0.02 -3.93 0.40 -0.69 -1.89 0.00 0.00 176.35 170.22 2aym s VAL 41 N -2.70 2.96 -0.35 1.68 1.01 -1.25 -4.86 120.40 116.88 2aym s VAL 41 Ca 0.68 -3.68 0.00 0.00 0.00 0.00 0.00 61.98 58.98 2aym s VAL 41 Cb -0.20 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.21 2aym s VAL 41 CO 0.61 -0.90 0.49 -0.81 0.00 0.00 0.00 175.10 174.48 2aym n PRO 42 N 2.67 0.60 0.00 2.72 -0.04 -1.26 -0.67 135.00 139.02 2aym n PRO 42 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2aym n PRO 42 Cb 0.34 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 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 0.53 0.40 0.00 3.54 0.23 -1.26 -4.91 115.26 113.79 2aym n ASN 43 Ca 0.00 -1.08 0.00 0.00 -0.53 0.00 0.00 54.58 52.97 2aym n ASN 43 Cb 0.25 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.95 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 -0.04 0.00 0.00 -3.83 5.12 0.16 -5.04 116.66 113.02 2aym n ARG 44 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2aym n ARG 44 Cb 0.24 -0.39 0.00 0.00 -1.16 0.00 0.00 32.46 31.15 2aym n ARG 44 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 2aym n HIS 45 N -2.40 0.00 1.09 -1.55 8.25 0.09 -4.65 115.22 116.05 2aym n HIS 45 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.60 2aym n HIS 45 Cb 0.20 -0.09 0.64 0.00 1.12 0.00 0.00 29.99 31.86 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 0.05 0.00 -4.21 0.41 5.75 -1.17 -4.34 116.55 113.04 2aym n ASP 46 Ca 0.00 0.35 -0.15 0.00 -0.01 0.00 0.00 54.79 54.98 2aym n ASP 46 Cb 0.00 -0.45 -0.11 0.00 -1.03 0.00 0.00 41.12 39.54 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 -2.90 1.06 0.34 2.12 -0.00 -1.26 -1.47 121.20 119.10 2aym s ILE 47 Ca 0.17 -1.78 -0.17 0.00 -0.00 0.00 0.00 60.65 58.87 2aym s ILE 47 Cb 0.19 -1.54 0.04 0.00 -0.00 0.00 0.00 42.46 41.15 2aym s ILE 47 CO 0.51 -0.60 0.75 0.00 -0.00 0.00 0.00 174.94 175.60 2aym s ALA 48 N -2.68 -0.87 0.10 2.27 0.00 -0.39 -3.86 121.76 116.33 2aym s ALA 48 Ca 0.09 -0.61 0.06 0.00 0.00 0.00 0.00 51.96 51.50 2aym s ALA 48 Cb -0.01 0.76 -0.03 0.00 0.00 0.00 0.00 23.12 23.83 2aym s ALA 48 CO 0.01 -1.00 -0.14 -0.06 0.00 0.00 0.00 175.76 174.56 2aym s PHE 49 N -2.94 1.33 0.02 0.00 0.40 -0.20 -0.67 117.98 115.91 2aym s PHE 49 Ca 0.14 -0.53 0.01 0.00 -0.60 0.00 0.00 56.93 55.96 2aym s PHE 49 Cb -0.05 -0.71 -0.02 0.00 0.51 0.00 0.00 43.02 42.75 2aym s PHE 49 CO 0.10 0.11 -0.04 0.08 0.70 0.00 0.00 175.22 176.16 2aym s VAL 50 N -1.83 0.26 0.02 -0.44 1.01 -0.52 -0.77 120.40 118.13 2aym s VAL 50 Ca 0.05 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.26 2aym s VAL 50 Cb -0.07 -0.35 -0.01 0.00 0.00 0.00 0.00 36.38 35.95 2aym s VAL 50 CO 0.03 -0.34 -0.06 -0.70 0.00 0.00 0.00 175.10 174.03 2aym s GLU 51 N -1.18 0.42 0.22 2.72 2.12 0.19 -0.69 118.70 122.50 2aym s GLU 51 Ca -0.10 -0.48 0.03 0.00 0.36 0.00 0.00 54.97 54.77 2aym s GLU 51 Cb -0.08 -0.26 -0.05 0.00 0.26 0.00 0.00 34.13 34.00 2aym s GLU 51 CO -0.00 0.06 0.00 -0.06 -0.54 0.00 0.00 175.26 174.72 2aym s PHE 52 N -0.84 1.48 0.09 5.30 0.40 0.20 -1.09 117.98 123.52 2aym s PHE 52 Ca -0.06 -0.96 -0.19 0.00 -0.60 0.00 0.00 56.93 55.12 2aym s PHE 52 Cb -0.06 -0.85 -0.08 0.00 0.51 0.00 0.00 43.02 42.53 2aym s PHE 52 CO 0.00 -0.10 1.55 1.15 0.70 0.00 0.00 175.22 178.52 2aym h THR 53 N 2.52 1.23 -3.84 0.64 2.02 -0.94 -3.45 112.91 111.09 2aym h THR 53 Ca -0.38 -0.79 -0.19 0.00 0.77 0.00 0.00 66.41 65.82 2aym h THR 53 Cb 1.22 1.29 -0.23 0.00 -1.74 0.00 0.00 68.15 68.69 2aym h THR 53 CO 0.64 0.25 -0.68 0.42 0.37 0.00 0.00 175.52 176.52 2aym s THR 54 N -5.13 0.07 0.41 3.16 -4.23 -1.26 -4.99 115.64 103.67 2aym s THR 54 Ca -0.14 -0.59 0.08 0.00 -1.18 0.00 0.00 61.69 59.86 2aym s THR 54 Cb 0.07 -0.20 0.24 0.00 1.34 0.00 0.00 72.50 73.94 2aym s THR 54 CO 0.74 -0.33 2.03 -0.33 -0.54 0.00 0.00 174.62 176.19 2aym h GLU 55 N 5.09 0.41 -0.29 3.99 5.08 -1.91 -1.20 114.58 125.76 2aym h GLU 55 Ca -0.29 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 57.91 2aym h GLU 55 Cb 1.21 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2aym h GLU 55 CO 0.44 0.33 -0.30 -0.07 -1.00 0.00 0.00 179.01 178.41 2aym h LEU 56 N 0.41 0.61 0.22 1.33 4.07 -1.94 -1.74 115.31 118.28 2aym h LEU 56 Ca 0.10 -0.23 -0.33 0.00 0.08 0.00 0.00 57.88 57.50 2aym h LEU 56 Cb 0.07 -0.17 0.03 0.00 1.08 0.00 0.00 40.66 41.66 2aym h LEU 56 CO -0.01 0.88 -1.47 1.56 -1.08 0.00 0.00 178.44 178.31 2aym h GLN 57 N 0.51 0.46 -0.84 1.13 4.20 -1.65 -1.14 115.11 117.78 2aym h GLN 57 Ca 0.06 -0.79 -0.00 0.00 0.06 0.00 0.00 58.65 57.97 2aym h GLN 57 Cb 0.77 0.30 -0.04 0.00 0.30 0.00 0.00 27.48 28.81 2aym h GLN 57 CO 0.06 1.38 0.51 0.66 -0.67 0.00 0.00 178.83 180.77 2aym h SER 58 N 0.13 1.01 -0.14 1.46 4.64 -1.41 -0.66 113.55 118.58 2aym h SER 58 Ca -0.24 -0.07 0.03 0.00 -0.47 0.00 0.00 61.79 61.04 2aym h SER 58 Cb 2.12 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 63.93 2aym h SER 58 CO 0.25 0.78 -0.02 -1.13 -0.87 0.00 0.00 176.83 175.84 2aym h ASN 59 N 1.16 -0.09 -0.73 4.97 -1.24 -1.25 0.95 115.58 119.35 2aym h ASN 59 Ca 0.30 0.04 -0.00 0.00 0.71 0.00 0.00 56.30 57.35 2aym h ASN 59 Cb -0.04 0.07 -0.04 0.00 0.73 0.00 0.00 38.32 39.04 2aym h ASN 59 CO -0.06 -0.03 0.46 0.00 -1.29 0.00 0.00 177.43 176.51 2aym h ALA 60 N 1.13 0.93 -0.74 1.57 0.00 -0.92 -0.91 119.26 120.32 2aym h ALA 60 Ca 0.07 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2aym h ALA 60 Cb 0.09 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2aym h ALA 60 CO -0.13 0.39 0.24 0.00 0.00 0.00 0.00 179.25 179.75 2aym h ALA 61 N 1.24 0.97 0.15 0.00 0.00 -0.81 -0.66 119.26 120.15 2aym h ALA 61 Ca 0.27 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2aym h ALA 61 Cb -0.06 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 2aym h ALA 61 CO -0.05 0.65 -0.16 -0.22 0.00 0.00 0.00 179.25 179.47 2aym h LYS 62 N 1.10 -0.32 -0.33 0.00 3.64 -0.33 -0.81 116.57 119.52 2aym h LYS 62 Ca 0.24 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.62 2aym h LYS 62 Cb 0.29 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 2aym h LYS 62 CO -0.01 -0.22 0.09 0.93 -2.27 0.00 0.00 179.45 177.98 2aym h GLU 63 N -0.34 0.47 -0.22 1.90 4.39 -0.89 0.17 114.58 120.07 2aym h GLU 63 Ca 0.01 -0.07 -0.18 0.00 0.34 0.00 0.00 59.36 59.46 2aym h GLU 63 Cb 0.32 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2aym h GLU 63 CO -0.05 0.43 -0.57 0.00 -1.16 0.00 0.00 179.01 177.66 2aym h ALA 64 N 1.64 0.57 -0.01 3.43 0.00 -0.79 -3.37 119.26 120.74 2aym h ALA 64 Ca 0.11 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2aym h ALA 64 Cb 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2aym h ALA 64 CO -0.01 0.69 -0.11 1.28 0.00 0.00 0.00 179.25 181.10 2aym n LEU 65 N -3.97 1.18 -4.69 0.00 4.77 -0.34 -4.90 117.00 109.05 2aym n LEU 65 Ca -0.04 -0.83 -0.45 0.00 -0.03 0.00 0.00 56.01 54.67 2aym n LEU 65 Cb 0.63 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.68 2aym n LEU 65 CO 0.49 0.24 1.31 0.00 -1.33 0.00 0.00 177.39 178.10 2aym n GLN 66 N -0.12 2.42 -0.84 3.23 6.02 0.02 -1.37 117.38 126.74 2aym n GLN 66 Ca 0.03 0.87 0.00 0.00 -0.01 0.00 0.00 57.00 57.90 2aym n GLN 66 Cb 0.16 -2.69 0.00 0.00 1.02 0.00 0.00 30.24 28.73 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 3.76 0.91 3.67 1.08 0.00 0.29 -5.00 105.19 109.90 2aym n GLY 67 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.66 2.28 -0.33 1.61 5.36 -0.47 -4.47 117.98 118.31 2aym s PHE 68 Ca 0.00 0.39 -0.28 0.00 -0.96 0.00 0.00 56.93 56.09 2aym s PHE 68 Cb 0.00 -3.84 -0.03 0.00 -0.34 0.00 0.00 43.02 38.80 2aym s PHE 68 CO 0.00 -3.42 2.01 0.15 -1.46 0.00 0.00 175.22 172.50 2aym s LYS 69 N 3.46 3.08 0.08 10.12 3.01 -1.26 -0.40 119.74 137.82 2aym s LYS 69 Ca 0.70 1.57 -0.17 0.00 -1.01 0.00 0.00 55.97 57.06 2aym s LYS 69 Cb -0.33 -4.31 -0.10 0.00 -1.01 0.00 0.00 37.83 32.08 2aym s LYS 69 CO 0.28 -2.17 1.42 0.82 0.51 0.00 0.00 175.35 176.22 2aym h ILE 70 N 7.03 1.31 -3.71 2.17 2.04 -1.53 -3.45 117.51 121.36 2aym h ILE 70 Ca -0.35 -1.30 -0.27 0.00 1.00 0.00 0.00 64.86 63.94 2aym h ILE 70 Cb 1.20 1.60 -0.15 0.00 -0.74 0.00 0.00 36.82 38.74 2aym h ILE 70 CO 1.04 0.41 -0.68 0.42 0.00 0.00 0.00 178.15 179.33 2aym s THR 71 N -4.48 0.77 0.06 -0.27 -4.23 -1.25 -5.03 115.64 101.21 2aym s THR 71 Ca -0.13 -1.98 0.17 0.00 -1.18 0.00 0.00 61.69 58.57 2aym s THR 71 Cb 0.08 -1.93 0.17 0.00 1.34 0.00 0.00 72.50 72.16 2aym s THR 71 CO 0.79 -0.65 1.45 1.55 -0.54 0.00 0.00 174.62 177.22 2aym h PRO 72 N 2.80 0.00 0.00 3.99 0.13 -2.00 -0.70 132.00 136.22 2aym h PRO 72 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2aym h PRO 72 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2aym h PRO 72 CO 0.64 0.00 -0.01 0.25 -0.23 0.00 0.00 178.00 178.64 2aym n THR 73 N -2.20 1.11 -3.42 1.56 -2.24 -1.26 -4.85 114.28 102.98 2aym n THR 73 Ca -0.01 -1.20 -0.26 0.00 -2.27 0.00 0.00 64.05 60.31 2aym n THR 73 Cb 0.27 0.36 -0.09 0.00 -2.10 0.00 0.00 70.33 68.77 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 -0.67 0.64 -1.96 4.78 8.25 -0.27 -5.02 115.22 120.97 2aym n HIS 74 Ca 0.04 -3.68 -0.42 0.00 -0.26 0.00 0.00 57.72 53.39 2aym n HIS 74 Cb 0.37 -0.20 -0.03 0.00 1.12 0.00 0.00 29.99 31.25 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 -0.98 2.75 -0.22 -1.41 0.00 -1.26 -1.24 121.76 119.40 2aym s ALA 75 Ca 0.33 0.20 -0.41 0.00 0.00 0.00 0.00 51.96 52.09 2aym s ALA 75 Cb 0.08 -4.06 -0.17 0.00 0.00 0.00 0.00 23.12 18.98 2aym s ALA 75 CO -0.14 -2.83 1.57 -0.12 0.00 0.00 0.00 175.76 174.25 2aym n MET 76 N 8.55 0.83 -4.43 0.00 1.56 0.46 -4.73 117.12 119.36 2aym n MET 76 Ca 0.24 0.30 -0.35 0.00 -0.27 0.00 0.00 57.70 57.62 2aym n MET 76 Cb 0.47 -1.92 -0.10 0.00 2.15 0.00 0.00 33.22 33.82 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 2.50 2.99 0.01 2.12 2.20 -0.47 -0.55 119.74 128.55 2aym s LYS 77 Ca 0.96 -0.45 0.02 0.00 -0.36 0.00 0.00 55.97 56.14 2aym s LYS 77 Cb -1.15 -2.76 -0.01 0.00 -1.51 0.00 0.00 37.83 32.40 2aym s LYS 77 CO 0.64 0.65 -0.06 0.42 -0.36 0.00 0.00 175.35 176.64 2aym s ILE 78 N -0.76 0.46 0.04 5.43 1.01 -1.26 -1.19 121.20 124.93 2aym s ILE 78 Ca 0.12 -0.54 -0.12 0.00 0.00 0.00 0.00 60.65 60.11 2aym s ILE 78 Cb -0.11 -0.45 0.01 0.00 0.01 0.00 0.00 42.46 41.92 2aym s ILE 78 CO 0.02 -0.07 0.25 0.42 0.00 0.00 0.00 174.94 175.56 2aym s THR 79 N -0.58 0.09 0.10 2.92 -4.23 0.02 -5.00 115.64 108.96 2aym s THR 79 Ca -0.02 -0.78 -0.30 0.00 -1.18 0.00 0.00 61.69 59.40 2aym s THR 79 Cb -0.05 -0.91 -0.06 0.00 1.34 0.00 0.00 72.50 72.82 2aym s THR 79 CO 0.00 -0.43 1.18 -0.36 -0.54 0.00 0.00 174.62 174.47 2aym s PHE 80 N -2.50 3.46 0.66 3.99 0.08 -1.26 -0.75 117.98 121.66 2aym s PHE 80 Ca -0.05 1.37 -0.11 0.00 0.12 0.00 0.00 56.93 58.26 2aym s PHE 80 Cb -0.01 -3.40 0.15 0.00 -0.57 0.00 0.00 43.02 39.19 2aym s PHE 80 CO -0.03 -1.15 0.89 0.00 -0.10 0.00 0.00 175.22 174.83 2aym n ALA 81 N 3.46 -1.00 -3.64 5.36 0.00 -0.31 -4.36 120.51 120.01 2aym n ALA 81 Ca 0.07 -1.18 -0.24 0.00 0.00 0.00 0.00 53.44 52.09 2aym n ALA 81 Cb 0.46 -0.05 -0.17 0.00 0.00 0.00 0.00 19.45 19.69 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 -4.95 1.39 0.00 0.00 1.02 -1.26 -4.82 119.74 111.13 2aym s LYS 82 Ca 0.51 -0.27 0.16 0.00 0.02 0.00 0.00 55.97 56.39 2aym s LYS 82 Cb -0.01 -1.31 0.95 0.00 -0.52 0.00 0.00 37.83 36.94 2aym s LYS 82 CO 0.36 -0.10 1.36 1.63 -0.92 0.00 0.00 175.35 177.68