#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 0.48 -1.09 0.00 -2.07 -1.26 -5.07 119.66 110.66 2aym s GLN 2 Ca 0.00 -0.20 -0.08 0.00 -1.82 0.00 0.00 55.36 53.26 2aym s GLN 2 Cb 0.00 0.21 -0.11 0.00 -1.09 0.00 0.00 33.01 32.02 2aym s GLN 2 CO 0.00 -0.11 3.07 0.25 -1.32 0.00 0.00 175.29 177.18 2aym n THR 3 N 1.72 4.02 -1.65 3.63 -2.24 -1.26 -4.96 114.28 113.54 2aym n THR 3 Ca -0.20 -2.52 -0.35 0.00 -2.27 0.00 0.00 64.05 58.71 2aym n THR 3 Cb 0.56 -2.33 0.07 0.00 -2.10 0.00 0.00 70.33 66.53 2aym n THR 3 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2aym s GLU 4 N 1.25 2.48 0.25 -0.78 0.41 -1.26 -4.64 118.70 116.41 2aym s GLU 4 Ca 0.67 1.74 -0.08 0.00 -0.41 0.00 0.00 54.97 56.89 2aym s GLU 4 Cb 0.23 -1.88 -0.01 0.00 -1.78 0.00 0.00 34.13 30.69 2aym s GLU 4 CO -0.06 -1.56 0.39 -0.65 -0.49 0.00 0.00 175.26 172.88 2aym s GLN 5 N -3.75 1.53 0.83 1.61 -1.52 -1.26 -5.00 119.66 112.10 2aym s GLN 5 Ca 0.74 -1.45 -0.15 0.00 -1.95 0.00 0.00 55.36 52.55 2aym s GLN 5 Cb -0.29 0.41 -0.02 0.00 -0.22 0.00 0.00 33.01 32.90 2aym s GLN 5 CO 0.41 -0.61 0.34 -2.30 -0.25 0.00 0.00 175.29 172.89 2aym n PRO 6 N -0.39 0.03 -1.56 2.91 -0.02 -1.26 -4.83 135.00 129.88 2aym n PRO 6 Ca -0.00 0.05 -0.44 0.00 -2.02 0.00 0.00 63.50 61.09 2aym n PRO 6 Cb 0.63 -1.75 -0.01 0.00 -0.02 0.00 0.00 33.50 32.35 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 -0.77 1.15 -3.78 0.52 -0.02 -1.26 -4.95 135.00 125.89 2aym n PRO 7 Ca 0.08 0.40 -0.13 0.00 -2.02 0.00 0.00 63.50 61.83 2aym n PRO 7 Cb 0.52 -1.76 -0.09 0.00 -0.02 0.00 0.00 33.50 32.14 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 -0.67 -0.18 0.00 2.55 2.47 -1.26 -4.95 114.94 112.90 2aym s ASN 8 Ca 0.60 0.13 0.01 0.00 0.42 0.00 0.00 52.86 54.02 2aym s ASN 8 Cb -0.69 0.35 0.04 0.00 -1.45 0.00 0.00 41.25 39.50 2aym s ASN 8 CO 0.59 -0.38 0.70 0.00 -3.72 0.00 0.00 177.10 174.30 2aym n GLN 9 N 1.59 0.67 -4.30 0.43 10.64 -1.26 -4.64 117.38 120.50 2aym n GLN 9 Ca -0.20 0.00 -0.18 0.00 -1.83 0.00 0.00 57.00 54.79 2aym n GLN 9 Cb 0.56 -1.02 -0.14 0.00 -0.86 0.00 0.00 30.24 28.78 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 0.70 0.04 -0.39 1.01 -1.26 -0.84 121.20 118.46 2aym s ILE 10 Ca 0.01 -0.52 0.07 0.00 0.00 0.00 0.00 60.65 60.22 2aym s ILE 10 Cb 0.01 -0.61 -0.02 0.00 0.01 0.00 0.00 42.46 41.84 2aym s ILE 10 CO 0.01 0.10 -0.21 -0.76 0.00 0.00 0.00 174.94 174.08 2aym s LEU 11 N -0.47 2.16 -0.08 2.97 1.43 -0.03 -1.18 118.68 123.47 2aym s LEU 11 Ca 0.02 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 2aym s LEU 11 Cb -0.05 -1.00 -0.03 0.00 0.03 0.00 0.00 46.19 45.15 2aym s LEU 11 CO -0.00 0.17 -0.09 0.12 0.23 0.00 0.00 176.35 176.79 2aym s PHE 12 N -0.78 2.89 0.03 0.29 5.36 -0.00 -1.36 117.98 124.41 2aym s PHE 12 Ca 0.08 -0.12 0.05 0.00 -0.96 0.00 0.00 56.93 55.98 2aym s PHE 12 Cb -0.09 -1.74 -0.02 0.00 -0.34 0.00 0.00 43.02 40.84 2aym s PHE 12 CO 0.02 0.21 -0.16 -0.51 -1.46 0.00 0.00 175.22 173.31 2aym s LEU 13 N -0.54 2.13 0.33 6.12 1.02 0.22 -0.32 118.68 127.64 2aym s LEU 13 Ca 0.08 -0.43 0.03 0.00 0.02 0.00 0.00 54.13 53.83 2aym s LEU 13 Cb -0.12 -0.76 -0.02 0.00 0.02 0.00 0.00 46.19 45.32 2aym s LEU 13 CO 0.02 0.11 0.35 0.42 0.02 0.00 0.00 176.35 177.27 2aym s THR 14 N -0.71 0.00 -1.48 5.49 -4.23 -0.50 -1.21 115.64 113.01 2aym s THR 14 Ca 0.04 -1.84 0.00 0.00 -1.18 0.00 0.00 61.69 58.71 2aym s THR 14 Cb -0.08 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.21 2aym s THR 14 CO 0.01 0.00 0.00 -3.20 -0.54 0.00 0.00 174.62 170.89 2aym n ASN 15 N -1.47 -4.67 -4.87 3.99 5.15 -0.84 -1.33 115.26 111.23 2aym n ASN 15 Ca 0.05 0.18 -0.29 0.00 -0.60 0.00 0.00 54.58 53.92 2aym n ASN 15 Cb 0.62 -4.01 0.10 0.00 -0.53 0.00 0.00 39.78 35.96 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 -5.35 2.44 0.91 1.20 1.43 -0.46 -3.99 118.68 114.85 2aym s LEU 16 Ca 0.00 0.90 -0.14 0.00 -1.03 0.00 0.00 54.13 53.86 2aym s LEU 16 Cb 0.00 -3.40 -0.01 0.00 0.03 0.00 0.00 46.19 42.81 2aym s LEU 16 CO 0.00 -1.99 0.20 -2.65 0.23 0.00 0.00 176.35 172.13 2aym n PRO 17 N -3.39 -0.14 -0.04 1.29 -0.02 -1.26 -4.49 135.00 126.95 2aym n PRO 17 Ca 0.07 -0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.56 2aym n PRO 17 Cb 0.60 -1.68 0.03 0.00 -0.02 0.00 0.00 33.50 32.42 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 -0.73 1.18 -0.01 -0.52 1.02 -1.26 -3.06 120.64 117.25 2aym n GLU 18 Ca 0.06 -0.21 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 2aym n GLU 18 Cb 0.53 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.76 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 -0.23 0.00 -1.70 3.49 -0.58 -1.26 -4.81 120.64 115.56 2aym n GLU 19 Ca 0.02 -0.47 -0.39 0.00 -0.42 0.00 0.00 57.16 55.90 2aym n GLU 19 Cb 0.13 -0.46 0.04 0.00 -0.57 0.00 0.00 31.44 30.58 2aym n GLU 19 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2aym n THR 20 N 0.00 3.64 -4.16 2.62 -1.04 -1.23 -5.03 114.28 109.07 2aym n THR 20 Ca 0.00 -0.50 -0.14 0.00 -2.04 0.00 0.00 64.05 61.37 2aym n THR 20 Cb 0.50 -1.48 -0.11 0.00 -1.82 0.00 0.00 70.33 67.43 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 -0.97 1.33 0.33 8.00 3.84 -1.26 -4.85 114.94 121.36 2aym s ASN 21 Ca 0.72 -0.80 0.10 0.00 0.21 0.00 0.00 52.86 53.09 2aym s ASN 21 Cb -0.44 0.02 0.88 0.00 -0.55 0.00 0.00 41.25 41.17 2aym s ASN 21 CO 0.50 -0.28 1.75 -0.08 -2.79 0.00 0.00 177.10 176.20 2aym h GLU 22 N 3.62 0.59 -0.25 0.43 4.81 -1.96 -0.94 114.58 120.89 2aym h GLU 22 Ca -0.37 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 58.74 2aym h GLU 22 Cb 1.19 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 2aym h GLU 22 CO 0.53 0.39 -0.20 0.52 -0.73 0.00 0.00 179.01 179.51 2aym h MET 23 N 0.61 0.44 0.54 1.92 2.86 -1.98 -0.83 114.93 118.50 2aym h MET 23 Ca 0.61 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 58.08 2aym h MET 23 Cb 1.16 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 32.79 2aym h MET 23 CO -0.41 0.63 -0.26 0.52 1.06 0.00 0.00 176.91 178.45 2aym h MET 24 N 0.40 -0.70 -0.10 1.72 2.86 -1.58 -0.25 114.93 117.28 2aym h MET 24 Ca 0.07 0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.63 2aym h MET 24 Cb 0.58 0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.39 2aym h MET 24 CO 0.04 -0.44 -0.51 -0.07 1.06 0.00 0.00 176.91 176.99 2aym h LEU 25 N -0.79 0.30 -0.35 1.22 3.38 -1.53 -1.44 115.31 116.10 2aym h LEU 25 Ca -0.07 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 2aym h LEU 25 Cb 0.58 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2aym h LEU 25 CO 0.12 0.76 0.17 0.28 0.09 0.00 0.00 178.44 179.86 2aym h SER 26 N 0.22 0.46 -0.63 -0.43 0.02 -1.02 0.44 113.55 112.60 2aym h SER 26 Ca 0.01 -0.12 0.02 0.00 -0.84 0.00 0.00 61.79 60.85 2aym h SER 26 Cb 0.97 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.36 2aym h SER 26 CO 0.08 0.45 0.41 -0.03 -1.14 0.00 0.00 176.83 176.60 2aym h MET 27 N 0.43 0.79 0.09 3.45 1.85 -0.76 -0.18 114.93 120.60 2aym h MET 27 Ca 0.12 -0.05 -0.00 0.00 -0.61 0.00 0.00 59.70 59.16 2aym h MET 27 Cb 0.12 -0.18 0.00 0.00 0.43 0.00 0.00 31.60 31.97 2aym h MET 27 CO -0.02 0.52 -0.04 -0.07 -0.40 0.00 0.00 176.91 176.90 2aym h LEU 28 N 0.81 -0.11 0.00 3.39 3.38 -0.86 -3.35 115.31 118.58 2aym h LEU 28 Ca 0.24 -0.33 -0.17 0.00 0.09 0.00 0.00 57.88 57.72 2aym h LEU 28 Cb -0.04 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2aym h LEU 28 CO -0.08 0.28 -0.97 -0.26 0.09 0.00 0.00 178.44 177.51 2aym h PHE 29 N -0.51 0.00 0.00 1.13 -1.00 -0.88 -3.29 116.94 112.39 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 0.43 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.99 2aym h PHE 29 CO 0.05 0.72 0.00 -1.71 -1.61 0.00 0.00 178.31 175.76 2aym n ASN 30 N -3.17 0.11 0.04 2.17 5.15 -0.09 -1.64 115.26 117.84 2aym n ASN 30 Ca -0.03 0.54 0.16 0.00 -0.60 0.00 0.00 54.58 54.65 2aym n ASN 30 Cb 0.85 -0.56 0.65 0.00 -0.53 0.00 0.00 39.78 40.19 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 0.07 -6.20 1.20 4.20 -1.71 -3.42 115.11 109.25 2aym h GLN 31 Ca 0.00 -0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.14 2aym h GLN 31 Cb 0.16 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.88 2aym h GLN 31 CO 0.00 0.05 0.01 -0.06 -0.67 0.00 0.00 178.83 178.16 2aym s PHE 32 N -5.09 3.76 0.00 2.96 0.08 -0.65 -4.96 117.98 114.07 2aym s PHE 32 Ca -0.05 1.29 0.00 0.00 0.12 0.00 0.00 56.93 58.29 2aym s PHE 32 Cb 0.19 -2.60 0.00 0.00 -0.57 0.00 0.00 43.02 40.04 2aym s PHE 32 CO 0.72 0.45 1.05 -0.35 -0.10 0.00 0.00 175.22 177.00 2aym n PRO 33 N 2.23 0.79 0.00 0.24 -0.04 -1.26 -2.76 135.00 134.20 2aym n PRO 33 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 2aym n PRO 33 Cb 0.51 -1.11 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 0.94 0.99 3.62 0.55 0.00 -1.26 -5.03 105.19 105.01 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 -0.03 1.10 0.05 1.61 7.35 -1.11 -0.27 117.46 126.16 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 0.04 -2.20 0.00 0.00 0.35 0.00 0.00 39.48 37.67 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 -0.51 0.00 -3.83 -4.13 4.76 -0.21 -4.73 118.16 109.51 2aym n LYS 36 Ca 0.11 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.50 2aym n LYS 36 Cb 0.44 -0.43 0.01 0.00 -1.84 0.00 0.00 35.03 33.21 2aym n LYS 36 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2aym s GLU 37 N -2.00 1.69 0.08 1.97 -1.05 -0.66 -5.00 118.70 113.72 2aym s GLU 37 Ca 0.00 -1.04 0.05 0.00 -0.15 0.00 0.00 54.97 53.83 2aym s GLU 37 Cb 0.00 0.50 -0.03 0.00 -0.44 0.00 0.00 34.13 34.16 2aym s GLU 37 CO 0.00 -0.79 -0.14 0.08 0.95 0.00 0.00 175.26 175.36 2aym s VAL 38 N -2.64 1.15 -0.36 1.83 1.01 -1.26 -0.72 120.40 119.41 2aym s VAL 38 Ca 0.16 -1.40 0.00 0.00 0.00 0.00 0.00 61.98 60.74 2aym s VAL 38 Cb -0.04 -1.18 0.12 0.00 0.00 0.00 0.00 36.38 35.28 2aym s VAL 38 CO 0.07 -0.27 0.17 -0.13 0.00 0.00 0.00 175.10 174.94 2aym s ARG 39 N -1.96 0.82 1.08 2.72 0.52 0.15 -4.97 118.95 117.30 2aym s ARG 39 Ca 0.00 -1.39 -0.13 0.00 -0.52 0.00 0.00 55.73 53.70 2aym s ARG 39 Cb -0.09 -1.87 0.23 0.00 0.52 0.00 0.00 34.95 33.75 2aym s ARG 39 CO 0.02 -1.10 1.07 -1.17 0.02 0.00 0.00 175.30 174.14 2aym s LEU 40 N 1.11 1.23 -0.65 2.53 1.98 -1.26 -0.94 118.68 122.68 2aym s LEU 40 Ca 0.14 1.29 0.03 0.00 -2.89 0.00 0.00 54.13 52.71 2aym s LEU 40 Cb -0.21 -3.35 0.16 0.00 0.66 0.00 0.00 46.19 43.45 2aym s LEU 40 CO -0.12 -3.61 0.43 -0.69 -1.89 0.00 0.00 176.35 170.47 2aym s VAL 41 N -2.77 2.98 -0.03 1.68 1.01 -1.25 -4.88 120.40 117.14 2aym s VAL 41 Ca 0.67 -3.81 0.00 0.00 0.00 0.00 0.00 61.98 58.84 2aym s VAL 41 Cb -0.21 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.19 2aym s VAL 41 CO 0.60 -0.93 0.66 -0.81 0.00 0.00 0.00 175.10 174.62 2aym n PRO 42 N 2.52 0.67 0.00 2.72 -0.04 -1.26 -0.52 135.00 139.09 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 0.34 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 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 0.65 0.15 0.00 3.54 3.02 -1.26 -4.91 115.26 116.45 2aym n ASN 43 Ca 0.00 -0.49 0.00 0.00 -0.03 0.00 0.00 54.58 54.06 2aym n ASN 43 Cb 0.33 0.58 0.00 0.00 -0.61 0.00 0.00 39.78 40.07 2aym n ASN 43 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2aym n ARG 44 N -0.58 0.01 0.00 3.52 3.00 0.05 -5.05 116.66 117.61 2aym n ARG 44 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2aym n ARG 44 Cb 0.01 -0.50 0.00 0.00 0.00 0.00 0.00 32.46 31.97 2aym n ARG 44 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2aym n HIS 45 N -1.17 0.00 0.40 -0.14 8.25 0.33 -4.65 115.22 118.23 2aym n HIS 45 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.57 2aym n HIS 45 Cb 0.00 -0.17 0.47 0.00 1.12 0.00 0.00 29.99 31.41 2aym n HIS 45 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2aym n ASP 46 N 0.10 0.59 -4.15 0.41 2.03 -1.17 -4.35 116.55 110.02 2aym n ASP 46 Ca 0.00 0.65 -0.12 0.00 0.52 0.00 0.00 54.79 55.84 2aym n ASP 46 Cb 0.00 -0.77 -0.10 0.00 -0.72 0.00 0.00 41.12 39.52 2aym n ASP 46 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2aym s ILE 47 N -3.29 0.70 0.33 5.18 -0.00 -1.26 -1.36 121.20 121.50 2aym s ILE 47 Ca 0.04 -1.70 -0.18 0.00 -0.00 0.00 0.00 60.65 58.81 2aym s ILE 47 Cb 0.09 -1.40 0.04 0.00 -0.00 0.00 0.00 42.46 41.20 2aym s ILE 47 CO 0.38 -0.72 0.77 0.00 -0.00 0.00 0.00 174.94 175.37 2aym s ALA 48 N -2.94 -1.00 0.11 2.27 0.00 -0.35 -3.74 121.76 116.11 2aym s ALA 48 Ca 0.06 -0.52 0.05 0.00 0.00 0.00 0.00 51.96 51.55 2aym s ALA 48 Cb 0.01 0.75 -0.04 0.00 0.00 0.00 0.00 23.12 23.84 2aym s ALA 48 CO -0.03 -1.01 -0.12 -0.06 0.00 0.00 0.00 175.76 174.54 2aym s PHE 49 N -3.06 1.21 0.00 0.00 0.40 -0.12 -0.61 117.98 115.81 2aym s PHE 49 Ca 0.13 -0.60 0.00 0.00 -0.60 0.00 0.00 56.93 55.86 2aym s PHE 49 Cb -0.05 -0.65 -0.00 0.00 0.51 0.00 0.00 43.02 42.83 2aym s PHE 49 CO 0.09 0.06 -0.01 0.08 0.70 0.00 0.00 175.22 176.15 2aym s VAL 50 N -2.27 0.05 0.02 -0.44 1.01 -0.46 -0.67 120.40 117.64 2aym s VAL 50 Ca 0.07 -0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.00 2aym s VAL 50 Cb -0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 36.38 36.25 2aym s VAL 50 CO 0.01 -0.04 -0.21 -0.70 0.00 0.00 0.00 175.10 174.17 2aym s GLU 51 N -0.16 1.48 0.21 2.72 2.12 0.10 -0.85 118.70 124.31 2aym s GLU 51 Ca -0.01 -0.87 0.02 0.00 0.36 0.00 0.00 54.97 54.47 2aym s GLU 51 Cb -0.01 -1.54 -0.05 0.00 0.26 0.00 0.00 34.13 32.79 2aym s GLU 51 CO -0.00 0.40 0.02 -0.06 -0.54 0.00 0.00 175.26 175.08 2aym s PHE 52 N -0.68 1.38 0.04 5.30 0.40 -0.02 -1.04 117.98 123.36 2aym s PHE 52 Ca 0.08 -1.01 -0.21 0.00 -0.60 0.00 0.00 56.93 55.19 2aym s PHE 52 Cb -0.08 -0.80 -0.14 0.00 0.51 0.00 0.00 43.02 42.51 2aym s PHE 52 CO 0.01 -0.18 1.36 1.15 0.70 0.00 0.00 175.22 178.26 2aym h THR 53 N 2.57 1.34 -3.69 0.64 2.02 -0.90 -3.45 112.91 111.43 2aym h THR 53 Ca -0.37 -1.25 -0.16 0.00 0.77 0.00 0.00 66.41 65.40 2aym h THR 53 Cb 1.22 1.84 -0.21 0.00 -1.74 0.00 0.00 68.15 69.26 2aym h THR 53 CO 0.63 0.37 -0.58 0.42 0.37 0.00 0.00 175.52 176.72 2aym s THR 54 N -4.37 0.09 0.43 3.16 -4.23 -1.26 -4.98 115.64 104.47 2aym s THR 54 Ca -0.14 -0.71 0.12 0.00 -1.18 0.00 0.00 61.69 59.77 2aym s THR 54 Cb 0.05 -0.34 0.20 0.00 1.34 0.00 0.00 72.50 73.75 2aym s THR 54 CO 0.75 -0.39 2.00 -0.33 -0.54 0.00 0.00 174.62 176.10 2aym h GLU 55 N 4.58 0.17 -0.34 3.99 3.07 -1.91 -1.00 114.58 123.14 2aym h GLU 55 Ca -0.31 -0.03 -0.12 0.00 -0.50 0.00 0.00 59.36 58.41 2aym h GLU 55 Cb 1.20 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 29.07 2aym h GLU 55 CO 0.41 0.26 -0.27 -0.07 -1.40 0.00 0.00 179.01 177.93 2aym h LEU 56 N 0.17 0.72 0.15 1.33 4.07 -1.95 -1.60 115.31 118.20 2aym h LEU 56 Ca 0.04 -0.28 -0.29 0.00 0.08 0.00 0.00 57.88 57.43 2aym h LEU 56 Cb 0.24 -0.20 0.01 0.00 1.08 0.00 0.00 40.66 41.79 2aym h LEU 56 CO 0.01 0.96 -1.37 1.56 -1.08 0.00 0.00 178.44 178.53 2aym h GLN 57 N 0.61 0.31 -0.75 1.13 4.20 -1.64 -0.92 115.11 118.05 2aym h GLN 57 Ca 0.08 -0.53 -0.03 0.00 0.06 0.00 0.00 58.65 58.22 2aym h GLN 57 Cb 0.78 0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.72 2aym h GLN 57 CO 0.06 1.23 0.34 0.66 -0.67 0.00 0.00 178.83 180.45 2aym h SER 58 N 0.09 1.00 -0.39 1.46 4.64 -1.31 -0.55 113.55 118.48 2aym h SER 58 Ca -0.19 -0.15 0.02 0.00 -0.47 0.00 0.00 61.79 61.01 2aym h SER 58 Cb 2.02 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 63.82 2aym h SER 58 CO 0.20 0.87 0.21 -1.13 -0.87 0.00 0.00 176.83 176.12 2aym h ASN 59 N 1.06 0.33 -0.50 4.97 -1.24 -1.22 0.14 115.58 119.12 2aym h ASN 59 Ca 0.25 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.27 2aym h ASN 59 Cb 0.15 -0.05 -0.02 0.00 0.73 0.00 0.00 38.32 39.13 2aym h ASN 59 CO -0.03 0.24 0.29 0.00 -1.29 0.00 0.00 177.43 176.63 2aym h ALA 60 N 1.19 0.64 -0.71 1.57 0.00 -0.89 -0.26 119.26 120.80 2aym h ALA 60 Ca 0.16 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2aym h ALA 60 Cb 0.05 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2aym h ALA 60 CO -0.10 0.14 0.20 0.00 0.00 0.00 0.00 179.25 179.49 2aym h ALA 61 N 1.13 1.00 0.05 0.00 0.00 -0.78 -0.96 119.26 119.69 2aym h ALA 61 Ca 0.18 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2aym h ALA 61 Cb 0.02 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2aym h ALA 61 CO -0.03 0.66 -0.02 -0.22 0.00 0.00 0.00 179.25 179.63 2aym h LYS 62 N 1.07 -0.06 -0.87 0.00 3.64 -0.40 -0.51 116.57 119.43 2aym h LYS 62 Ca 0.23 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.65 2aym h LYS 62 Cb 0.34 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.12 2aym h LYS 62 CO -0.00 0.01 0.57 0.93 -2.27 0.00 0.00 179.45 178.68 2aym h GLU 63 N -0.12 1.02 -0.19 1.90 4.39 -0.81 0.47 114.58 121.24 2aym h GLU 63 Ca -0.01 -0.06 -0.18 0.00 0.34 0.00 0.00 59.36 59.45 2aym h GLU 63 Cb 0.10 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 28.52 2aym h GLU 63 CO 0.01 0.68 -0.61 0.00 -1.16 0.00 0.00 179.01 177.92 2aym h ALA 64 N 1.50 0.56 -0.00 3.43 0.00 -0.85 -3.37 119.26 120.53 2aym h ALA 64 Ca 0.35 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2aym h ALA 64 Cb 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2aym h ALA 64 CO -0.11 0.70 -0.13 1.28 0.00 0.00 0.00 179.25 180.99 2aym n LEU 65 N -3.95 1.00 -4.69 0.00 4.77 -0.23 -4.88 117.00 109.03 2aym n LEU 65 Ca -0.04 -0.78 -0.45 0.00 -0.03 0.00 0.00 56.01 54.71 2aym n LEU 65 Cb 0.65 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.70 2aym n LEU 65 CO 0.49 0.21 1.32 0.00 -1.33 0.00 0.00 177.39 178.08 2aym n GLN 66 N -0.29 2.42 -0.88 3.23 6.02 0.13 -1.39 117.38 126.61 2aym n GLN 66 Ca 0.03 0.87 0.00 0.00 -0.01 0.00 0.00 57.00 57.89 2aym n GLN 66 Cb 0.14 -2.69 0.00 0.00 1.02 0.00 0.00 30.24 28.71 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 3.79 0.90 3.67 1.08 0.00 0.19 -4.99 105.19 109.84 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 -3.58 2.29 -0.37 1.61 5.36 -0.49 -4.45 117.98 118.36 2aym s PHE 68 Ca 0.00 0.36 -0.28 0.00 -0.96 0.00 0.00 56.93 56.06 2aym s PHE 68 Cb 0.00 -3.88 -0.04 0.00 -0.34 0.00 0.00 43.02 38.77 2aym s PHE 68 CO 0.00 -3.56 2.02 0.15 -1.46 0.00 0.00 175.22 172.37 2aym s LYS 69 N 3.28 2.97 0.09 10.12 3.01 -1.26 -0.51 119.74 137.44 2aym s LYS 69 Ca 0.71 1.47 -0.15 0.00 -1.01 0.00 0.00 55.97 57.00 2aym s LYS 69 Cb -0.35 -4.34 -0.12 0.00 -1.01 0.00 0.00 37.83 32.02 2aym s LYS 69 CO 0.30 -2.29 1.35 0.82 0.51 0.00 0.00 175.35 176.04 2aym h ILE 70 N 7.06 1.31 -3.93 2.17 2.04 -1.62 -3.45 117.51 121.08 2aym h ILE 70 Ca -0.33 -1.66 -0.26 0.00 1.00 0.00 0.00 64.86 63.61 2aym h ILE 70 Cb 1.20 1.80 -0.20 0.00 -0.74 0.00 0.00 36.82 38.88 2aym h ILE 70 CO 1.06 0.52 -0.72 -0.89 0.00 0.00 0.00 178.15 178.12 2aym s THR 71 N -4.07 0.57 0.66 -0.27 2.01 -1.25 -5.04 115.64 108.25 2aym s THR 71 Ca -0.12 -1.29 0.15 0.00 0.31 0.00 0.00 61.69 60.75 2aym s THR 71 Cb 0.08 -0.87 0.16 0.00 0.01 0.00 0.00 72.50 71.89 2aym s THR 71 CO 0.85 -0.50 1.44 -0.65 -0.69 0.00 0.00 174.62 175.06 2aym h PRO 72 N 4.12 0.00 0.00 4.92 0.11 -2.00 0.61 132.00 139.77 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 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2aym h PRO 72 CO 0.47 0.00 -0.01 0.25 -0.21 0.00 0.00 178.00 178.49 2aym n THR 73 N -2.76 1.41 -3.35 -1.15 -2.24 -1.26 -4.84 114.28 100.10 2aym n THR 73 Ca 0.01 -1.61 -0.26 0.00 -2.27 0.00 0.00 64.05 59.92 2aym n THR 73 Cb 0.76 0.12 -0.08 0.00 -2.10 0.00 0.00 70.33 69.03 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 -0.97 0.76 -2.02 4.78 8.25 0.21 -5.03 115.22 121.20 2aym n HIS 74 Ca 0.08 -3.71 -0.43 0.00 -0.26 0.00 0.00 57.72 53.40 2aym n HIS 74 Cb 0.47 -0.30 -0.03 0.00 1.12 0.00 0.00 29.99 31.26 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 -1.26 3.15 -0.34 -1.41 0.00 -1.26 -1.50 121.76 119.14 2aym s ALA 75 Ca 0.35 0.49 -0.36 0.00 0.00 0.00 0.00 51.96 52.44 2aym s ALA 75 Cb 0.12 -3.91 -0.12 0.00 0.00 0.00 0.00 23.12 19.22 2aym s ALA 75 CO -0.11 -2.16 2.17 -0.12 0.00 0.00 0.00 175.76 175.54 2aym n MET 76 N 7.93 1.07 -3.29 0.00 1.56 0.34 -4.69 117.12 120.03 2aym n MET 76 Ca 0.21 0.30 -0.36 0.00 -0.27 0.00 0.00 57.70 57.57 2aym n MET 76 Cb 0.45 -2.43 -0.06 0.00 2.15 0.00 0.00 33.22 33.34 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 6.10 4.07 0.02 2.12 2.47 -0.44 -0.64 119.74 133.45 2aym s LYS 77 Ca 1.09 0.61 0.02 0.00 -1.56 0.00 0.00 55.97 56.13 2aym s LYS 77 Cb -0.88 -2.97 -0.01 0.00 -1.46 0.00 0.00 37.83 32.50 2aym s LYS 77 CO 0.50 0.49 -0.07 0.42 0.16 0.00 0.00 175.35 176.85 2aym s ILE 78 N -1.42 0.52 0.02 5.43 1.01 -1.26 -1.41 121.20 124.10 2aym s ILE 78 Ca 0.37 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.38 2aym s ILE 78 Cb -0.16 -0.51 -0.02 0.00 0.01 0.00 0.00 42.46 41.78 2aym s ILE 78 CO 0.19 -0.10 -0.03 -0.89 0.00 0.00 0.00 174.94 174.11 2aym s THR 79 N -0.71 0.18 -0.05 2.92 2.01 0.56 -4.99 115.64 115.56 2aym s THR 79 Ca -0.03 -0.73 -0.30 0.00 0.31 0.00 0.00 61.69 60.94 2aym s THR 79 Cb -0.06 -0.28 -0.05 0.00 0.01 0.00 0.00 72.50 72.12 2aym s THR 79 CO 0.00 -0.35 1.46 -0.36 -0.69 0.00 0.00 174.62 174.68 2aym s PHE 80 N -1.10 2.57 1.12 4.92 0.08 -1.26 -0.82 117.98 123.49 2aym s PHE 80 Ca -0.11 0.65 -0.18 0.00 0.12 0.00 0.00 56.93 57.41 2aym s PHE 80 Cb -0.08 -3.72 0.26 0.00 -0.57 0.00 0.00 43.02 38.91 2aym s PHE 80 CO -0.01 -2.77 1.20 0.00 -0.10 0.00 0.00 175.22 173.54 2aym s ALA 81 N 3.12 1.22 0.42 5.36 0.00 -0.33 -4.50 121.76 127.04 2aym s ALA 81 Ca 0.65 -1.09 0.04 0.00 0.00 0.00 0.00 51.96 51.57 2aym s ALA 81 Cb -0.30 -2.83 -0.05 0.00 0.00 0.00 0.00 23.12 19.94 2aym s ALA 81 CO 0.25 -3.19 0.03 0.15 0.00 0.00 0.00 175.76 173.00 2aym s LYS 82 N -5.62 1.95 0.00 0.00 1.02 -1.26 -4.78 119.74 111.04 2aym s LYS 82 Ca 0.73 -2.15 0.00 0.00 0.02 0.00 0.00 55.97 54.57 2aym s LYS 82 Cb -0.07 -1.33 0.00 0.00 -0.52 0.00 0.00 37.83 35.91 2aym s LYS 82 CO 0.55 -0.20 0.12 1.63 -0.92 0.00 0.00 175.35 176.53