#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 1.43 -0.14 0.00 -2.07 -1.26 -5.14 119.66 112.47 2aym s GLN 2 Ca 0.00 -1.08 -0.12 0.00 -1.82 0.00 0.00 55.36 52.35 2aym s GLN 2 Cb 0.00 0.48 0.04 0.00 -1.09 0.00 0.00 33.01 32.44 2aym s GLN 2 CO 0.00 -0.59 0.38 0.99 -1.32 0.00 0.00 175.29 174.74 2aym s THR 3 N -3.95 -0.01 0.24 3.63 2.01 -1.26 -5.15 115.64 111.15 2aym s THR 3 Ca 0.16 0.03 -0.20 0.00 0.31 0.00 0.00 61.69 61.99 2aym s THR 3 Cb -0.00 -0.54 -0.08 0.00 0.01 0.00 0.00 72.50 71.89 2aym s THR 3 CO 0.03 0.01 0.74 -0.70 -0.69 0.00 0.00 174.62 174.01 2aym s GLU 4 N 0.51 4.26 0.23 4.92 2.12 -1.26 -3.93 118.70 125.56 2aym s GLU 4 Ca -0.03 0.89 -0.09 0.00 0.36 0.00 0.00 54.97 56.10 2aym s GLU 4 Cb -0.04 -2.85 -0.01 0.00 0.26 0.00 0.00 34.13 31.49 2aym s GLU 4 CO -0.03 0.37 0.38 -0.65 -0.54 0.00 0.00 175.26 174.79 2aym s GLN 5 N -2.04 1.45 0.52 4.30 -1.52 -1.26 -5.00 119.66 116.11 2aym s GLN 5 Ca 0.44 -1.36 -0.19 0.00 -1.95 0.00 0.00 55.36 52.30 2aym s GLN 5 Cb -0.16 0.41 -0.10 0.00 -0.22 0.00 0.00 33.01 32.94 2aym s GLN 5 CO 0.21 -0.57 0.56 -2.30 -0.25 0.00 0.00 175.29 172.94 2aym n PRO 6 N -0.35 0.58 -1.54 2.91 -0.02 -1.26 -4.88 135.00 130.44 2aym n PRO 6 Ca -0.01 0.22 -0.40 0.00 -2.02 0.00 0.00 63.50 61.29 2aym n PRO 6 Cb 0.63 -1.68 0.02 0.00 -0.02 0.00 0.00 33.50 32.46 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 0.12 0.89 -3.81 0.52 -0.02 -1.26 -4.97 135.00 126.47 2aym n PRO 7 Ca 0.11 0.33 -0.12 0.00 -2.02 0.00 0.00 63.50 61.80 2aym n PRO 7 Cb 0.45 -1.84 -0.09 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 -0.96 -0.09 0.00 2.55 2.47 -1.26 -4.95 114.94 112.69 2aym s ASN 8 Ca 0.66 -0.03 0.06 0.00 0.42 0.00 0.00 52.86 53.97 2aym s ASN 8 Cb -0.53 0.27 0.35 0.00 -1.45 0.00 0.00 41.25 39.90 2aym s ASN 8 CO 0.55 -0.39 0.92 0.00 -3.72 0.00 0.00 177.10 174.46 2aym n GLN 9 N 1.45 0.64 -4.28 0.43 10.64 -1.26 -4.63 117.38 120.37 2aym n GLN 9 Ca -0.22 0.00 -0.17 0.00 -1.83 0.00 0.00 57.00 54.78 2aym n GLN 9 Cb 0.56 -1.14 -0.14 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 0.63 0.07 -0.39 1.01 -1.26 -0.93 121.20 118.32 2aym s ILE 10 Ca 0.09 -0.43 0.08 0.00 0.00 0.00 0.00 60.65 60.38 2aym s ILE 10 Cb 0.04 -0.55 -0.03 0.00 0.01 0.00 0.00 42.46 41.93 2aym s ILE 10 CO 0.07 0.11 -0.20 -0.76 0.00 0.00 0.00 174.94 174.16 2aym s LEU 11 N -0.36 2.23 -0.06 2.97 1.43 0.17 -1.11 118.68 123.95 2aym s LEU 11 Ca 0.02 -0.59 0.04 0.00 -1.03 0.00 0.00 54.13 52.57 2aym s LEU 11 Cb -0.04 -0.91 -0.02 0.00 0.03 0.00 0.00 46.19 45.25 2aym s LEU 11 CO -0.00 0.11 -0.17 0.12 0.23 0.00 0.00 176.35 176.63 2aym s PHE 12 N -0.96 2.63 0.07 0.29 5.36 0.14 -1.40 117.98 124.11 2aym s PHE 12 Ca 0.07 -0.39 0.06 0.00 -0.96 0.00 0.00 56.93 55.70 2aym s PHE 12 Cb -0.09 -1.65 -0.03 0.00 -0.34 0.00 0.00 43.02 40.91 2aym s PHE 12 CO 0.03 0.01 -0.16 -0.51 -1.46 0.00 0.00 175.22 173.13 2aym s LEU 13 N -0.39 2.26 0.31 6.12 1.02 0.23 -0.69 118.68 127.54 2aym s LEU 13 Ca 0.04 -0.60 0.01 0.00 0.02 0.00 0.00 54.13 53.59 2aym s LEU 13 Cb -0.12 -0.61 -0.02 0.00 0.02 0.00 0.00 46.19 45.46 2aym s LEU 13 CO 0.02 -0.03 0.36 0.42 0.02 0.00 0.00 176.35 177.14 2aym s THR 14 N -1.18 0.00 -1.31 5.49 -4.23 -0.56 -1.33 115.64 112.52 2aym s THR 14 Ca 0.00 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 2aym s THR 14 Cb -0.10 -2.54 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 -1.24 -4.30 -4.82 3.99 5.15 -0.70 -1.16 115.26 112.18 2aym n ASN 15 Ca 0.03 0.19 -0.29 0.00 -0.60 0.00 0.00 54.58 53.91 2aym n ASN 15 Cb 0.62 -3.69 0.11 0.00 -0.53 0.00 0.00 39.78 36.29 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 -5.33 2.33 0.92 1.20 1.43 -0.27 -3.96 118.68 114.99 2aym s LEU 16 Ca 0.00 1.03 -0.15 0.00 -1.03 0.00 0.00 54.13 53.99 2aym s LEU 16 Cb 0.00 -3.50 -0.04 0.00 0.03 0.00 0.00 46.19 42.68 2aym s LEU 16 CO 0.00 -2.19 0.02 -2.65 0.23 0.00 0.00 176.35 171.77 2aym n PRO 17 N -3.54 -0.11 0.00 1.29 -0.02 -1.26 -4.45 135.00 126.91 2aym n PRO 17 Ca 0.07 -0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.58 2aym n PRO 17 Cb 0.59 -1.55 0.20 0.00 -0.02 0.00 0.00 33.50 32.71 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 -0.14 0.87 -0.07 -0.52 1.02 -1.26 -3.05 120.64 117.49 2aym n GLU 18 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 2aym n GLU 18 Cb 0.54 -1.12 0.00 0.00 -0.02 0.00 0.00 31.44 30.84 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 -0.62 0.00 -1.69 3.49 1.02 -1.26 -4.82 120.64 116.77 2aym n GLU 19 Ca 0.05 -0.57 -0.40 0.00 -0.02 0.00 0.00 57.16 56.23 2aym n GLU 19 Cb 0.02 -0.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.98 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 0.00 3.16 -4.12 2.62 -1.04 -1.23 -5.03 114.28 108.63 2aym n THR 20 Ca 0.00 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.05 61.40 2aym n THR 20 Cb 0.53 -1.47 -0.10 0.00 -1.82 0.00 0.00 70.33 67.46 2aym n THR 20 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2aym s ASN 21 N -0.81 0.94 0.38 8.00 2.47 -1.26 -4.88 114.94 119.78 2aym s ASN 21 Ca 0.67 -0.88 0.06 0.00 0.42 0.00 0.00 52.86 53.14 2aym s ASN 21 Cb -0.47 0.10 0.78 0.00 -1.45 0.00 0.00 41.25 40.21 2aym s ASN 21 CO 0.53 -0.42 1.99 -0.33 -3.72 0.00 0.00 177.10 175.16 2aym h GLU 22 N 3.43 0.67 -0.86 0.43 5.08 -1.96 -0.84 114.58 120.53 2aym h GLU 22 Ca -0.35 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.00 2aym h GLU 22 Cb 1.17 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 30.22 2aym h GLU 22 CO 0.58 0.45 0.57 0.52 -1.00 0.00 0.00 179.01 180.12 2aym h MET 23 N 0.69 1.06 0.54 2.33 2.86 -1.98 0.11 114.93 120.54 2aym h MET 23 Ca 0.26 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.81 2aym h MET 23 Cb 0.16 -0.24 0.01 0.00 0.06 0.00 0.00 31.60 31.58 2aym h MET 23 CO -0.07 0.70 -0.26 0.52 1.06 0.00 0.00 176.91 178.86 2aym h MET 24 N 1.09 -0.70 0.00 1.72 2.86 -1.57 -0.65 114.93 117.69 2aym h MET 24 Ca 0.34 0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.93 2aym h MET 24 Cb -0.00 0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 2aym h MET 24 CO -0.10 -0.41 -0.46 -0.07 1.06 0.00 0.00 176.91 176.93 2aym h LEU 25 N -0.85 0.00 0.16 1.22 3.38 -1.47 -1.30 115.31 116.45 2aym h LEU 25 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2aym h LEU 25 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2aym h LEU 25 CO 0.12 0.46 -0.08 0.28 0.09 0.00 0.00 178.44 179.32 2aym h SER 26 N 0.00 -0.18 0.42 -0.43 0.02 -0.65 0.10 113.55 112.83 2aym h SER 26 Ca -0.00 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.85 2aym h SER 26 Cb 0.83 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.42 2aym h SER 26 CO 0.06 -0.05 -0.13 0.00 -1.14 0.00 0.00 176.83 175.57 2aym h MET 27 N -0.30 0.00 0.24 3.45 -0.00 -0.70 0.13 114.93 117.75 2aym h MET 27 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.67 2aym h MET 27 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.84 2aym h MET 27 CO 0.04 0.13 -0.12 -0.07 -0.00 0.00 0.00 176.91 176.89 2aym h LEU 28 N 0.00 -0.28 0.00 -0.10 3.38 -0.93 -3.40 115.31 113.98 2aym h LEU 28 Ca -0.00 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 2aym h LEU 28 Cb 0.38 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2aym h LEU 28 CO 0.02 0.22 -0.50 -0.26 0.09 0.00 0.00 178.44 178.00 2aym h PHE 29 N -1.04 0.00 0.00 1.13 -1.00 -0.66 -3.27 116.94 112.10 2aym h PHE 29 Ca -0.03 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.75 2aym h PHE 29 Cb 0.37 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.93 2aym h PHE 29 CO 0.03 0.49 0.00 0.27 -1.61 0.00 0.00 178.31 177.49 2aym n ASN 30 N -3.22 0.00 0.10 2.17 6.94 0.44 -1.49 115.26 120.20 2aym n ASN 30 Ca 0.02 0.43 0.05 0.00 -0.02 0.00 0.00 54.58 55.06 2aym n ASN 30 Cb 0.73 -0.46 0.50 0.00 -2.36 0.00 0.00 39.78 38.19 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 0.33 -6.73 -3.83 4.20 -1.77 -3.43 115.11 103.88 2aym h GLN 31 Ca 0.00 -0.02 -0.49 0.00 0.06 0.00 0.00 58.65 58.19 2aym h GLN 31 Cb 0.13 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 2aym h GLN 31 CO 0.00 0.24 0.32 -0.06 -0.67 0.00 0.00 178.83 178.66 2aym s PHE 32 N -5.29 3.94 -0.77 2.96 0.08 -0.56 -4.94 117.98 113.40 2aym s PHE 32 Ca -0.07 1.86 0.00 0.00 0.12 0.00 0.00 56.93 58.84 2aym s PHE 32 Cb 0.17 -2.94 0.00 0.00 -0.57 0.00 0.00 43.02 39.68 2aym s PHE 32 CO 0.71 0.44 0.44 -0.35 -0.10 0.00 0.00 175.22 176.37 2aym n PRO 33 N 1.40 0.72 0.00 0.24 -0.04 -1.26 -2.99 135.00 133.07 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 0.48 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 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 0.25 0.79 3.63 0.55 0.00 -1.26 -5.05 105.19 104.11 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 0.89 0.00 1.61 -0.00 -1.16 -0.43 117.46 118.37 2aym n PHE 35 Ca 0.00 0.42 0.00 0.00 -0.00 0.00 0.00 57.45 57.87 2aym n PHE 35 Cb 0.27 -2.14 0.00 0.00 -0.00 0.00 0.00 39.48 37.61 2aym n PHE 35 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 2aym n LYS 36 N -1.34 0.00 -3.88 -4.13 5.02 -0.02 -4.74 118.16 109.07 2aym n LYS 36 Ca 0.14 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.36 2aym n LYS 36 Cb 0.48 -0.24 -0.02 0.00 -0.02 0.00 0.00 35.03 35.23 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 -1.98 1.79 0.06 1.97 2.12 -0.63 -5.00 118.70 117.02 2aym s GLU 37 Ca 0.00 -1.06 0.04 0.00 0.36 0.00 0.00 54.97 54.31 2aym s GLU 37 Cb 0.00 0.59 -0.03 0.00 0.26 0.00 0.00 34.13 34.95 2aym s GLU 37 CO 0.00 -0.81 -0.12 0.08 -0.54 0.00 0.00 175.26 173.87 2aym s VAL 38 N -3.81 0.92 -0.21 3.70 1.01 -1.26 -0.76 120.40 119.98 2aym s VAL 38 Ca 0.13 -1.18 -0.02 0.00 0.00 0.00 0.00 61.98 60.92 2aym s VAL 38 Cb -0.05 -0.90 0.06 0.00 0.00 0.00 0.00 36.38 35.49 2aym s VAL 38 CO 0.08 -0.24 0.01 -0.13 0.00 0.00 0.00 175.10 174.82 2aym s ARG 39 N -1.58 0.92 0.99 2.72 3.00 0.11 -4.97 118.95 120.14 2aym s ARG 39 Ca -0.04 -0.60 -0.15 0.00 0.00 0.00 0.00 55.73 54.94 2aym s ARG 39 Cb -0.10 -2.25 0.19 0.00 0.00 0.00 0.00 34.95 32.80 2aym s ARG 39 CO 0.02 -0.64 1.18 -0.51 0.00 0.00 0.00 175.30 175.34 2aym s LEU 40 N 1.72 1.88 -0.59 2.53 2.01 -1.26 -0.80 118.68 124.17 2aym s LEU 40 Ca -0.02 0.72 0.04 0.00 0.01 0.00 0.00 54.13 54.88 2aym s LEU 40 Cb -0.18 -2.84 0.15 0.00 0.01 0.00 0.00 46.19 43.33 2aym s LEU 40 CO -0.08 -2.95 0.38 -0.69 1.01 0.00 0.00 176.35 174.01 2aym s VAL 41 N -3.36 2.47 -0.26 -1.59 1.01 -1.25 -4.87 120.40 112.54 2aym s VAL 41 Ca 0.68 -3.66 0.00 0.00 0.00 0.00 0.00 61.98 58.99 2aym s VAL 41 Cb -0.11 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.60 2aym s VAL 41 CO 0.54 -0.94 0.60 -0.81 0.00 0.00 0.00 175.10 174.49 2aym n PRO 42 N 2.59 0.69 0.00 2.72 -0.04 -1.26 -0.73 135.00 138.96 2aym n PRO 42 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2aym n PRO 42 Cb 0.35 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 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 0.52 0.28 0.00 3.54 0.23 -1.26 -4.86 115.26 113.71 2aym n ASN 43 Ca 0.00 -0.61 0.00 0.00 -0.53 0.00 0.00 54.58 53.44 2aym n ASN 43 Cb 0.30 0.43 0.00 0.00 -2.08 0.00 0.00 39.78 38.43 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 -0.43 0.37 0.00 -3.83 1.74 0.08 -5.04 116.66 109.54 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 0.03 -0.79 0.00 0.00 -1.02 0.00 0.00 32.46 30.68 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 -1.97 0.00 1.89 -1.55 8.25 0.09 -4.66 115.22 117.27 2aym n HIS 45 Ca 0.00 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.62 2aym n HIS 45 Cb 0.29 -0.32 0.91 0.00 1.12 0.00 0.00 29.99 31.99 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 0.03 -4.21 0.41 5.75 -1.17 -4.16 116.55 113.21 2aym n ASP 46 Ca 0.00 -0.87 -0.12 0.00 -0.01 0.00 0.00 54.79 53.79 2aym n ASP 46 Cb 0.00 -0.05 -0.10 0.00 -1.03 0.00 0.00 41.12 39.94 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 -2.10 0.89 0.26 2.12 -4.36 -1.26 -1.11 121.20 115.65 2aym s ILE 47 Ca 0.45 -1.99 -0.20 0.00 -0.26 0.00 0.00 60.65 58.64 2aym s ILE 47 Cb 0.22 -1.77 0.06 0.00 1.25 0.00 0.00 42.46 42.22 2aym s ILE 47 CO 0.38 -0.81 0.89 0.00 0.24 0.00 0.00 174.94 175.65 2aym s ALA 48 N -3.50 -1.25 0.09 2.27 0.00 -0.45 -3.83 121.76 115.10 2aym s ALA 48 Ca 0.14 -0.40 0.06 0.00 0.00 0.00 0.00 51.96 51.76 2aym s ALA 48 Cb 0.04 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.85 2aym s ALA 48 CO -0.02 -1.03 -0.16 -0.06 0.00 0.00 0.00 175.76 174.49 2aym s PHE 49 N -2.66 1.39 0.03 0.00 0.40 0.02 -0.60 117.98 116.56 2aym s PHE 49 Ca 0.16 -0.48 0.01 0.00 -0.60 0.00 0.00 56.93 56.03 2aym s PHE 49 Cb -0.04 -0.76 -0.02 0.00 0.51 0.00 0.00 43.02 42.71 2aym s PHE 49 CO 0.07 0.12 -0.06 0.08 0.70 0.00 0.00 175.22 176.13 2aym s VAL 50 N -1.52 0.38 0.01 -0.44 1.01 -0.49 -0.71 120.40 118.65 2aym s VAL 50 Ca 0.03 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.15 2aym s VAL 50 Cb -0.08 -0.45 -0.01 0.00 0.00 0.00 0.00 36.38 35.84 2aym s VAL 50 CO 0.03 -0.33 -0.05 -0.70 0.00 0.00 0.00 175.10 174.05 2aym s GLU 51 N -1.28 0.37 0.28 2.72 2.12 0.06 -0.65 118.70 122.31 2aym s GLU 51 Ca -0.10 -0.37 0.03 0.00 0.36 0.00 0.00 54.97 54.89 2aym s GLU 51 Cb -0.08 -0.24 -0.06 0.00 0.26 0.00 0.00 34.13 34.01 2aym s GLU 51 CO -0.00 0.05 0.06 -0.06 -0.54 0.00 0.00 175.26 174.78 2aym s PHE 52 N -0.63 1.73 -0.04 5.30 0.40 -0.11 -0.84 117.98 123.78 2aym s PHE 52 Ca -0.04 -1.04 -0.26 0.00 -0.60 0.00 0.00 56.93 54.99 2aym s PHE 52 Cb -0.05 -1.07 -0.21 0.00 0.51 0.00 0.00 43.02 42.20 2aym s PHE 52 CO -0.00 -0.14 1.16 1.15 0.70 0.00 0.00 175.22 178.09 2aym h THR 53 N 2.28 1.47 -3.36 0.64 2.02 -1.02 -3.46 112.91 111.49 2aym h THR 53 Ca -0.39 -1.44 -0.45 0.00 0.77 0.00 0.00 66.41 64.90 2aym h THR 53 Cb 1.24 2.42 -0.17 0.00 -1.74 0.00 0.00 68.15 69.90 2aym h THR 53 CO 0.65 0.38 -0.76 0.42 0.37 0.00 0.00 175.52 176.58 2aym s THR 54 N -3.80 1.55 0.48 3.16 -4.23 -1.26 -4.95 115.64 106.59 2aym s THR 54 Ca -0.16 -1.89 0.16 0.00 -1.18 0.00 0.00 61.69 58.62 2aym s THR 54 Cb 0.01 -1.74 0.23 0.00 1.34 0.00 0.00 72.50 72.34 2aym s THR 54 CO 0.69 -0.43 2.07 -0.33 -0.54 0.00 0.00 174.62 176.07 2aym h GLU 55 N 3.22 0.00 -0.24 3.99 3.07 -1.90 -2.00 114.58 120.71 2aym h GLU 55 Ca -0.40 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.29 2aym h GLU 55 Cb 1.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 2aym h GLU 55 CO 0.53 0.10 -0.52 -0.07 -1.40 0.00 0.00 179.01 177.66 2aym h LEU 56 N 0.00 0.87 -0.20 1.33 4.07 -1.95 -1.58 115.31 117.86 2aym h LEU 56 Ca -0.00 -0.55 -0.19 0.00 0.08 0.00 0.00 57.88 57.22 2aym h LEU 56 Cb 0.18 -0.25 0.01 0.00 1.08 0.00 0.00 40.66 41.68 2aym h LEU 56 CO 0.01 1.26 -0.61 1.56 -1.08 0.00 0.00 178.44 179.59 2aym h GLN 57 N 0.52 0.76 -0.71 1.13 4.20 -1.85 -1.26 115.11 117.90 2aym h GLN 57 Ca 0.00 -0.55 -0.04 0.00 0.06 0.00 0.00 58.65 58.12 2aym h GLN 57 Cb 1.13 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.97 2aym h GLN 57 CO 0.11 1.17 0.30 0.66 -0.67 0.00 0.00 178.83 180.40 2aym h SER 58 N 0.48 0.97 -0.25 1.46 4.64 -1.45 -1.13 113.55 118.27 2aym h SER 58 Ca -0.02 -0.17 0.05 0.00 -0.47 0.00 0.00 61.79 61.19 2aym h SER 58 Cb 1.23 -0.25 -0.05 0.00 -0.31 0.00 0.00 62.40 63.02 2aym h SER 58 CO 0.13 0.87 -0.07 -1.13 -0.87 0.00 0.00 176.83 175.76 2aym h ASN 59 N 1.01 -0.25 -0.08 4.97 -0.73 -1.06 0.15 115.58 119.59 2aym h ASN 59 Ca 0.24 0.08 -0.13 0.00 1.87 0.00 0.00 56.30 58.35 2aym h ASN 59 Cb 0.19 0.16 -0.01 0.00 0.27 0.00 0.00 38.32 38.94 2aym h ASN 59 CO -0.02 -0.09 -0.39 0.00 -0.37 0.00 0.00 177.43 176.55 2aym h ALA 60 N 1.24 0.84 -0.63 1.57 0.00 -1.05 -0.37 119.26 120.86 2aym h ALA 60 Ca 0.12 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 2aym h ALA 60 Cb 0.20 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2aym h ALA 60 CO -0.27 0.64 0.21 0.00 0.00 0.00 0.00 179.25 179.84 2aym h ALA 61 N 1.07 0.82 0.21 0.00 0.00 -0.88 -0.96 119.26 119.52 2aym h ALA 61 Ca 0.04 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2aym h ALA 61 Cb 0.90 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2aym h ALA 61 CO 0.08 0.47 -0.16 -0.22 0.00 0.00 0.00 179.25 179.42 2aym h LYS 62 N 0.89 -0.36 -0.27 0.00 3.11 -0.45 -0.84 116.57 118.66 2aym h LYS 62 Ca 0.20 0.02 -0.05 0.00 -2.81 0.00 0.00 60.65 58.02 2aym h LYS 62 Cb 0.27 0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.57 2aym h LYS 62 CO -0.01 -0.24 -0.05 1.05 -2.81 0.00 0.00 179.45 177.39 2aym h GLU 63 N -0.38 0.41 -0.27 1.90 4.11 -0.89 -0.16 114.58 119.31 2aym h GLU 63 Ca -0.01 -0.09 -0.11 0.00 0.07 0.00 0.00 59.36 59.22 2aym h GLU 63 Cb 0.33 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 2aym h GLU 63 CO -0.01 0.48 -0.26 0.00 0.07 0.00 0.00 179.01 179.29 2aym h ALA 64 N 1.56 0.39 -0.01 1.06 0.00 -0.96 -3.36 119.26 117.93 2aym h ALA 64 Ca 0.08 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2aym h ALA 64 Cb 0.34 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2aym h ALA 64 CO 0.01 0.38 -0.17 1.28 0.00 0.00 0.00 179.25 180.75 2aym n LEU 65 N -4.31 1.87 -4.68 0.00 4.77 -0.34 -4.88 117.00 109.44 2aym n LEU 65 Ca -0.04 -0.87 -0.45 0.00 -0.03 0.00 0.00 56.01 54.62 2aym n LEU 65 Cb 0.45 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.50 2aym n LEU 65 CO 0.44 0.35 1.32 0.00 -1.33 0.00 0.00 177.39 178.17 2aym n GLN 66 N 0.31 2.36 -0.86 3.23 6.02 -0.10 -1.34 117.38 127.01 2aym n GLN 66 Ca 0.07 0.86 0.00 0.00 -0.01 0.00 0.00 57.00 57.92 2aym n GLN 66 Cb 0.35 -2.67 0.00 0.00 1.02 0.00 0.00 30.24 28.93 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 3.82 0.77 3.67 1.08 0.00 0.37 -5.01 105.19 109.89 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 -2.98 2.53 -0.35 1.61 5.36 -0.45 -4.50 117.98 119.21 2aym s PHE 68 Ca 0.00 0.65 -0.28 0.00 -0.96 0.00 0.00 56.93 56.34 2aym s PHE 68 Cb 0.00 -3.71 -0.04 0.00 -0.34 0.00 0.00 43.02 38.94 2aym s PHE 68 CO 0.00 -2.73 2.03 0.15 -1.46 0.00 0.00 175.22 173.22 2aym s LYS 69 N 3.35 3.01 0.09 10.12 3.01 -1.26 -0.36 119.74 137.69 2aym s LYS 69 Ca 0.64 1.53 -0.16 0.00 -1.01 0.00 0.00 55.97 56.98 2aym s LYS 69 Cb -0.29 -4.33 -0.10 0.00 -1.01 0.00 0.00 37.83 32.10 2aym s LYS 69 CO 0.24 -2.24 1.40 0.82 0.51 0.00 0.00 175.35 176.07 2aym h ILE 70 N 7.06 1.31 -3.77 2.17 2.04 -1.58 -3.45 117.51 121.29 2aym h ILE 70 Ca -0.34 -1.45 -0.26 0.00 1.00 0.00 0.00 64.86 63.81 2aym h ILE 70 Cb 1.21 1.67 -0.15 0.00 -0.74 0.00 0.00 36.82 38.80 2aym h ILE 70 CO 1.05 0.46 -0.68 0.42 0.00 0.00 0.00 178.15 179.39 2aym s THR 71 N -4.31 0.72 0.63 -0.27 -4.23 -1.25 -5.03 115.64 101.90 2aym s THR 71 Ca -0.13 -1.96 0.22 0.00 -1.18 0.00 0.00 61.69 58.64 2aym s THR 71 Cb 0.08 -1.87 0.27 0.00 1.34 0.00 0.00 72.50 72.32 2aym s THR 71 CO 0.82 -0.70 1.57 -0.65 -0.54 0.00 0.00 174.62 175.11 2aym h PRO 72 N 2.84 0.00 0.00 3.99 0.11 -2.00 -0.73 132.00 136.21 2aym h PRO 72 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2aym h PRO 72 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2aym h PRO 72 CO 0.64 0.00 -0.01 0.25 -0.21 0.00 0.00 178.00 178.67 2aym n THR 73 N -3.08 0.92 -3.48 -1.15 -2.24 -1.26 -4.85 114.28 99.14 2aym n THR 73 Ca 0.06 -0.96 -0.27 0.00 -2.27 0.00 0.00 64.05 60.62 2aym n THR 73 Cb 0.84 0.50 -0.09 0.00 -2.10 0.00 0.00 70.33 69.48 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 1.47 -1.97 4.78 8.25 -0.28 -5.04 115.22 121.92 2aym n HIS 74 Ca 0.02 -3.85 -0.42 0.00 -0.26 0.00 0.00 57.72 53.21 2aym n HIS 74 Cb 0.34 -0.33 -0.03 0.00 1.12 0.00 0.00 29.99 31.09 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 -1.29 2.76 -0.31 -1.41 0.00 -1.25 -1.36 121.76 118.89 2aym s ALA 75 Ca 0.33 0.19 -0.38 0.00 0.00 0.00 0.00 51.96 52.10 2aym s ALA 75 Cb 0.08 -4.05 -0.14 0.00 0.00 0.00 0.00 23.12 19.01 2aym s ALA 75 CO -0.12 -2.81 1.97 -0.12 0.00 0.00 0.00 175.76 174.67 2aym n MET 76 N 8.53 1.11 -3.53 0.00 1.56 0.51 -4.69 117.12 120.60 2aym n MET 76 Ca 0.23 0.37 -0.35 0.00 -0.27 0.00 0.00 57.70 57.68 2aym n MET 76 Cb 0.47 -2.24 -0.06 0.00 2.15 0.00 0.00 33.22 33.55 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 4.86 3.81 0.02 2.12 1.02 -0.31 -0.48 119.74 130.78 2aym s LYS 77 Ca 1.04 0.26 0.02 0.00 0.02 0.00 0.00 55.97 57.30 2aym s LYS 77 Cb -0.99 -3.02 -0.01 0.00 -0.52 0.00 0.00 37.83 33.28 2aym s LYS 77 CO 0.58 0.57 -0.06 0.42 -0.92 0.00 0.00 175.35 175.94 2aym s ILE 78 N -1.35 0.44 0.07 2.17 1.01 -1.26 -1.50 121.20 120.77 2aym s ILE 78 Ca 0.32 -0.62 -0.08 0.00 0.00 0.00 0.00 60.65 60.27 2aym s ILE 78 Cb -0.14 -0.45 -0.01 0.00 0.01 0.00 0.00 42.46 41.87 2aym s ILE 78 CO 0.17 -0.13 0.15 0.42 0.00 0.00 0.00 174.94 175.55 2aym s THR 79 N -0.73 0.14 0.12 2.92 -4.23 0.13 -4.99 115.64 109.00 2aym s THR 79 Ca -0.04 -1.17 -0.30 0.00 -1.18 0.00 0.00 61.69 59.00 2aym s THR 79 Cb -0.06 -1.19 -0.07 0.00 1.34 0.00 0.00 72.50 72.52 2aym s THR 79 CO 0.00 -0.64 1.21 -0.36 -0.54 0.00 0.00 174.62 174.28 2aym s PHE 80 N -3.38 3.43 0.76 3.99 0.08 -1.25 -0.69 117.98 120.93 2aym s PHE 80 Ca 0.01 1.34 -0.11 0.00 0.12 0.00 0.00 56.93 58.29 2aym s PHE 80 Cb 0.03 -3.43 0.05 0.00 -0.57 0.00 0.00 43.02 39.10 2aym s PHE 80 CO -0.08 -1.29 1.08 0.00 -0.10 0.00 0.00 175.22 174.83 2aym s ALA 81 N 0.57 2.33 -0.22 5.36 0.00 -0.26 -4.59 121.76 124.95 2aym s ALA 81 Ca 0.56 0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.59 2aym s ALA 81 Cb -0.31 -3.19 0.03 0.00 0.00 0.00 0.00 23.12 19.65 2aym s ALA 81 CO 0.32 -1.63 -0.14 0.15 0.00 0.00 0.00 175.76 174.46 2aym s LYS 82 N -5.01 2.76 0.00 0.00 3.01 -1.26 -4.79 119.74 114.44 2aym s LYS 82 Ca 0.60 -1.00 0.07 0.00 -1.01 0.00 0.00 55.97 54.64 2aym s LYS 82 Cb -0.15 -2.75 0.44 0.00 -1.01 0.00 0.00 37.83 34.36 2aym s LYS 82 CO 0.55 -0.35 0.90 1.63 0.51 0.00 0.00 175.35 178.60