#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aym n GLN 2 N 0.00 1.11 -1.56 0.00 10.64 -1.26 -5.12 117.38 121.19 2aym n GLN 2 Ca 0.00 -3.40 -0.52 0.00 -1.83 0.00 0.00 57.00 51.25 2aym n GLN 2 Cb 0.00 -1.62 -0.05 0.00 -0.86 0.00 0.00 30.24 27.71 2aym n GLN 2 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 2aym n THR 3 N 0.17 0.48 -2.91 -0.39 -1.04 -1.26 -4.93 114.28 104.40 2aym n THR 3 Ca 0.21 -0.12 -0.29 0.00 -2.04 0.00 0.00 64.05 61.81 2aym n THR 3 Cb 0.69 -0.63 -0.02 0.00 -1.82 0.00 0.00 70.33 68.54 2aym n THR 3 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2aym s GLU 4 N -0.04 3.69 0.24 -2.82 0.41 -1.26 -4.68 118.70 114.24 2aym s GLU 4 Ca 0.80 0.31 0.01 0.00 -0.41 0.00 0.00 54.97 55.67 2aym s GLU 4 Cb -0.97 -2.44 -0.05 0.00 -1.78 0.00 0.00 34.13 28.89 2aym s GLU 4 CO 0.51 -0.02 0.10 -0.65 -0.49 0.00 0.00 175.26 174.71 2aym s GLN 5 N -4.00 1.34 1.02 1.61 1.11 -1.26 -5.03 119.66 114.45 2aym s GLN 5 Ca 0.49 -1.72 -0.12 0.00 0.01 0.00 0.00 55.36 54.02 2aym s GLN 5 Cb -0.10 -0.11 0.17 0.00 -1.01 0.00 0.00 33.01 31.96 2aym s GLN 5 CO 0.34 -0.32 0.91 -0.35 0.01 0.00 0.00 175.29 175.88 2aym n PRO 6 N -0.40 -1.14 -1.54 2.91 -0.04 -1.26 -4.84 135.00 128.69 2aym n PRO 6 Ca 0.00 -0.28 -0.49 0.00 -0.04 0.00 0.00 63.50 62.69 2aym n PRO 6 Cb 0.66 -2.19 -0.04 0.00 -0.04 0.00 0.00 33.50 31.90 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 -3.93 0.88 -3.90 0.54 -0.02 -1.26 -4.97 135.00 122.33 2aym n PRO 7 Ca 0.08 0.31 -0.11 0.00 -2.02 0.00 0.00 63.50 61.76 2aym n PRO 7 Cb 0.54 -1.69 -0.11 0.00 -0.02 0.00 0.00 33.50 32.21 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 -0.30 0.07 0.00 2.55 2.47 -1.26 -4.92 114.94 113.55 2aym s ASN 8 Ca 0.70 -0.22 0.04 0.00 0.42 0.00 0.00 52.86 53.80 2aym s ASN 8 Cb -0.87 0.16 0.23 0.00 -1.45 0.00 0.00 41.25 39.32 2aym s ASN 8 CO 0.55 -0.26 0.81 0.00 -3.72 0.00 0.00 177.10 174.48 2aym n GLN 9 N 1.88 0.63 -4.34 0.43 10.64 -1.26 -4.64 117.38 120.72 2aym n GLN 9 Ca -0.21 0.00 -0.18 0.00 -1.83 0.00 0.00 57.00 54.78 2aym n GLN 9 Cb 0.56 -1.09 -0.14 0.00 -0.86 0.00 0.00 30.24 28.71 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 0.75 0.01 -0.39 1.01 -1.26 -0.78 121.20 118.54 2aym s ILE 10 Ca 0.06 -0.51 0.06 0.00 0.00 0.00 0.00 60.65 60.26 2aym s ILE 10 Cb 0.03 -0.65 -0.02 0.00 0.01 0.00 0.00 42.46 41.83 2aym s ILE 10 CO 0.04 0.13 -0.19 -0.76 0.00 0.00 0.00 174.94 174.17 2aym s LEU 11 N -0.43 2.09 -0.13 2.97 1.43 0.00 -1.22 118.68 123.39 2aym s LEU 11 Ca 0.02 -0.41 -0.04 0.00 -1.03 0.00 0.00 54.13 52.67 2aym s LEU 11 Cb -0.04 -0.95 -0.03 0.00 0.03 0.00 0.00 46.19 45.19 2aym s LEU 11 CO -0.00 0.20 0.02 0.12 0.23 0.00 0.00 176.35 176.91 2aym s PHE 12 N -0.58 3.18 0.02 0.29 5.36 0.06 -1.35 117.98 124.96 2aym s PHE 12 Ca 0.07 0.07 0.07 0.00 -0.96 0.00 0.00 56.93 56.18 2aym s PHE 12 Cb -0.08 -1.92 -0.02 0.00 -0.34 0.00 0.00 43.02 40.66 2aym s PHE 12 CO 0.00 0.28 -0.21 -0.51 -1.46 0.00 0.00 175.22 173.33 2aym s LEU 13 N -0.26 2.12 0.25 6.12 1.02 0.12 -0.79 118.68 127.26 2aym s LEU 13 Ca 0.06 -0.48 -0.05 0.00 0.02 0.00 0.00 54.13 53.69 2aym s LEU 13 Cb -0.12 -1.02 -0.02 0.00 0.02 0.00 0.00 46.19 45.05 2aym s LEU 13 CO 0.02 0.20 0.33 0.42 0.02 0.00 0.00 176.35 177.34 2aym s THR 14 N -0.70 0.00 -1.30 5.49 -4.23 -0.53 -1.21 115.64 113.16 2aym s THR 14 Ca 0.08 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 58.88 2aym s THR 14 Cb -0.09 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.35 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 -0.57 -4.50 -4.86 3.99 5.15 -0.87 -0.99 115.26 112.60 2aym n ASN 15 Ca 0.01 0.14 -0.30 0.00 -0.60 0.00 0.00 54.58 53.83 2aym n ASN 15 Cb 0.63 -3.81 0.06 0.00 -0.53 0.00 0.00 39.78 36.13 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 2.85 0.53 1.20 1.43 -0.48 -4.04 118.68 114.53 2aym s LEU 16 Ca 0.00 1.21 -0.19 0.00 -1.03 0.00 0.00 54.13 54.12 2aym s LEU 16 Cb 0.00 -3.98 -0.09 0.00 0.03 0.00 0.00 46.19 42.15 2aym s LEU 16 CO 0.00 -1.48 0.63 -2.65 0.23 0.00 0.00 176.35 173.07 2aym n PRO 17 N -3.11 0.65 0.00 1.29 -0.02 -1.26 -4.40 135.00 128.15 2aym n PRO 17 Ca 0.07 0.25 0.04 0.00 -2.02 0.00 0.00 63.50 61.83 2aym n PRO 17 Cb 0.57 -1.75 0.23 0.00 -0.02 0.00 0.00 33.50 32.52 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 -0.03 0.58 -0.07 -0.52 0.28 -1.26 -2.58 120.64 117.04 2aym n GLU 18 Ca 0.12 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.12 2aym n GLU 18 Cb 0.45 -1.20 0.01 0.00 1.43 0.00 0.00 31.44 32.13 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 -0.70 1.07 -1.75 3.44 1.02 -1.26 -4.78 120.64 117.68 2aym n GLU 19 Ca 0.06 -1.06 -0.39 0.00 -0.02 0.00 0.00 57.16 55.75 2aym n GLU 19 Cb 0.03 -0.74 0.03 0.00 -0.02 0.00 0.00 31.44 30.73 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 -0.28 3.35 -4.22 2.62 -1.04 -1.07 -5.03 114.28 108.62 2aym n THR 20 Ca 0.01 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.05 61.40 2aym n THR 20 Cb 0.46 -1.72 -0.10 0.00 -1.82 0.00 0.00 70.33 67.15 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 -0.72 0.73 0.28 8.00 2.20 -1.26 -4.84 114.94 119.32 2aym s ASN 21 Ca 0.67 -1.27 -0.01 0.00 -0.94 0.00 0.00 52.86 51.31 2aym s ASN 21 Cb -0.44 0.23 0.48 0.00 -2.00 0.00 0.00 41.25 39.52 2aym s ASN 21 CO 0.53 -0.70 1.87 -0.08 -2.94 0.00 0.00 177.10 175.77 2aym h GLU 22 N 2.67 1.07 -0.22 3.55 4.81 -1.95 -2.51 114.58 121.99 2aym h GLU 22 Ca -0.36 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 58.67 2aym h GLU 22 Cb 1.22 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 2aym h GLU 22 CO 0.59 0.71 -0.44 1.98 -0.73 0.00 0.00 179.01 181.12 2aym h MET 23 N 1.10 0.54 0.38 1.92 4.05 -1.98 -0.77 114.93 120.16 2aym h MET 23 Ca 0.45 -0.29 -0.01 0.00 -0.28 0.00 0.00 59.70 59.58 2aym h MET 23 Cb 0.29 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.08 2aym h MET 23 CO -0.20 0.87 -0.32 0.52 0.23 0.00 0.00 176.91 178.01 2aym h MET 24 N 0.44 -0.68 -0.07 0.39 2.86 -1.87 0.67 114.93 116.66 2aym h MET 24 Ca 0.03 0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.58 2aym h MET 24 Cb 0.94 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.74 2aym h MET 24 CO 0.08 -0.45 -0.55 -0.07 1.06 0.00 0.00 176.91 176.98 2aym h LEU 25 N -0.71 0.24 -0.38 1.22 3.38 -1.53 -1.44 115.31 116.09 2aym h LEU 25 Ca -0.03 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 2aym h LEU 25 Cb 0.62 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 2aym h LEU 25 CO -0.03 0.74 0.14 0.28 0.09 0.00 0.00 178.44 179.67 2aym h SER 26 N 0.17 0.53 -0.83 -0.43 0.02 -0.90 0.35 113.55 112.45 2aym h SER 26 Ca 0.00 -0.18 0.01 0.00 -0.84 0.00 0.00 61.79 60.79 2aym h SER 26 Cb 1.02 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 63.38 2aym h SER 26 CO 0.08 0.56 0.55 -0.03 -1.14 0.00 0.00 176.83 176.85 2aym h MET 27 N 0.46 1.08 0.18 3.45 1.85 -0.59 0.15 114.93 121.52 2aym h MET 27 Ca 0.12 -0.06 -0.01 0.00 -0.61 0.00 0.00 59.70 59.14 2aym h MET 27 Cb 0.20 -0.24 0.00 0.00 0.43 0.00 0.00 31.60 31.99 2aym h MET 27 CO -0.01 0.71 -0.09 -0.07 -0.40 0.00 0.00 176.91 177.06 2aym h LEU 28 N 1.11 -0.21 0.00 3.39 3.38 -0.88 -3.37 115.31 118.74 2aym h LEU 28 Ca 0.31 -0.30 -0.16 0.00 0.09 0.00 0.00 57.88 57.83 2aym h LEU 28 Cb -0.10 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2aym h LEU 28 CO -0.08 0.23 -0.90 -0.26 0.09 0.00 0.00 178.44 177.52 2aym h PHE 29 N -0.69 0.00 0.00 1.13 -1.00 -0.87 -3.28 116.94 112.23 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 0.49 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.05 2aym h PHE 29 CO 0.06 0.68 0.00 -1.71 -1.61 0.00 0.00 178.31 175.72 2aym n ASN 30 N -3.17 0.11 0.06 2.17 5.15 0.03 -1.63 115.26 117.98 2aym n ASN 30 Ca -0.02 0.54 0.16 0.00 -0.60 0.00 0.00 54.58 54.65 2aym n ASN 30 Cb 0.83 -0.56 0.65 0.00 -0.53 0.00 0.00 39.78 40.17 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 0.05 -6.17 1.20 4.20 -1.73 -3.41 115.11 109.25 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 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.88 2aym h GLN 31 CO 0.00 0.03 0.02 -0.06 -0.67 0.00 0.00 178.83 178.16 2aym s PHE 32 N -5.08 3.73 0.00 2.96 0.08 -0.65 -4.96 117.98 114.06 2aym s PHE 32 Ca -0.05 1.28 0.00 0.00 0.12 0.00 0.00 56.93 58.28 2aym s PHE 32 Cb 0.19 -2.64 0.00 0.00 -0.57 0.00 0.00 43.02 40.00 2aym s PHE 32 CO 0.72 0.39 1.02 -0.35 -0.10 0.00 0.00 175.22 176.89 2aym n PRO 33 N 2.50 0.78 0.00 0.24 -0.04 -1.26 -2.70 135.00 134.52 2aym n PRO 33 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 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 0.92 0.98 3.62 0.55 0.00 -1.26 -5.03 105.19 104.97 2aym n GLY 34 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 0.85 0.02 1.61 -0.00 -1.10 -0.33 117.46 118.48 2aym n PHE 35 Ca 0.00 0.43 0.00 0.00 -0.00 0.00 0.00 57.45 57.88 2aym n PHE 35 Cb 0.04 -2.14 0.00 0.00 -0.00 0.00 0.00 39.48 37.38 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 -1.10 0.00 -3.69 -4.13 5.02 -0.22 -4.71 118.16 109.33 2aym n LYS 36 Ca 0.14 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.33 2aym n LYS 36 Cb 0.48 -0.20 -0.03 0.00 -0.02 0.00 0.00 35.03 35.25 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 1.41 0.04 1.97 2.12 -0.62 -5.00 118.70 116.63 2aym s GLU 37 Ca 0.00 -0.80 0.06 0.00 0.36 0.00 0.00 54.97 54.59 2aym s GLU 37 Cb 0.00 0.55 -0.02 0.00 0.26 0.00 0.00 34.13 34.91 2aym s GLU 37 CO 0.00 -0.61 -0.17 0.08 -0.54 0.00 0.00 175.26 174.02 2aym s VAL 38 N -3.85 1.37 -0.38 3.70 1.01 -1.26 -0.72 120.40 120.26 2aym s VAL 38 Ca 0.08 -1.10 0.01 0.00 0.00 0.00 0.00 61.98 60.97 2aym s VAL 38 Cb -0.02 -1.22 0.13 0.00 0.00 0.00 0.00 36.38 35.28 2aym s VAL 38 CO -0.04 0.09 0.21 -0.13 0.00 0.00 0.00 175.10 175.24 2aym s ARG 39 N -1.17 0.86 1.15 2.72 0.52 0.10 -4.98 118.95 118.14 2aym s ARG 39 Ca 0.04 -1.56 -0.15 0.00 -0.52 0.00 0.00 55.73 53.54 2aym s ARG 39 Cb -0.08 -1.78 0.26 0.00 0.52 0.00 0.00 34.95 33.87 2aym s ARG 39 CO 0.02 -1.17 1.06 -1.17 0.02 0.00 0.00 175.30 174.05 2aym s LEU 40 N 0.85 0.81 -0.62 2.53 1.98 -1.26 -1.03 118.68 121.94 2aym s LEU 40 Ca 0.17 1.12 0.04 0.00 -2.89 0.00 0.00 54.13 52.57 2aym s LEU 40 Cb -0.23 -3.02 0.15 0.00 0.66 0.00 0.00 46.19 43.75 2aym s LEU 40 CO -0.02 -3.96 0.40 -0.69 -1.89 0.00 0.00 176.35 170.19 2aym s VAL 41 N -2.74 2.65 -0.12 1.68 1.01 -1.25 -4.86 120.40 116.78 2aym s VAL 41 Ca 0.68 -3.82 0.00 0.00 0.00 0.00 0.00 61.98 58.83 2aym s VAL 41 Cb -0.18 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.42 2aym s VAL 41 CO 0.60 -0.93 0.65 -0.81 0.00 0.00 0.00 175.10 174.60 2aym n PRO 42 N 2.46 0.69 0.00 2.72 -0.04 -1.26 -0.56 135.00 139.02 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 -1.18 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 0.27 -0.04 0.00 0.00 175.50 175.73 2aym n ASN 43 N 0.60 0.35 0.00 3.54 0.23 -1.26 -4.89 115.26 113.82 2aym n ASN 43 Ca 0.00 -0.80 0.00 0.00 -0.53 0.00 0.00 54.58 53.25 2aym n ASN 43 Cb 0.32 0.13 0.00 0.00 -2.08 0.00 0.00 39.78 38.15 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 -0.13 0.00 0.00 -3.83 1.74 0.10 -5.04 116.66 109.50 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 0.10 -0.68 0.00 0.00 -1.02 0.00 0.00 32.46 30.86 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 -1.91 0.00 1.14 -1.55 8.25 0.28 -4.66 115.22 116.76 2aym n HIS 45 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 2aym n HIS 45 Cb 0.19 -0.16 0.62 0.00 1.12 0.00 0.00 29.99 31.77 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 0.06 0.00 -4.18 0.41 5.75 -1.23 -4.37 116.55 113.00 2aym n ASP 46 Ca 0.00 0.04 -0.13 0.00 -0.01 0.00 0.00 54.79 54.69 2aym n ASP 46 Cb 0.00 -0.33 -0.10 0.00 -1.03 0.00 0.00 41.12 39.66 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 -2.66 0.84 0.36 2.12 -0.00 -1.26 -1.38 121.20 119.22 2aym s ILE 47 Ca 0.22 -1.78 -0.16 0.00 -0.00 0.00 0.00 60.65 58.93 2aym s ILE 47 Cb 0.17 -1.51 0.04 0.00 -0.00 0.00 0.00 42.46 41.17 2aym s ILE 47 CO 0.40 -0.70 0.75 0.00 -0.00 0.00 0.00 174.94 175.39 2aym s ALA 48 N -2.98 -0.75 0.11 2.27 0.00 -0.35 -3.80 121.76 116.26 2aym s ALA 48 Ca 0.09 -0.70 0.06 0.00 0.00 0.00 0.00 51.96 51.40 2aym s ALA 48 Cb 0.01 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 2aym s ALA 48 CO -0.02 -0.99 -0.14 -0.06 0.00 0.00 0.00 175.76 174.55 2aym s PHE 49 N -2.71 1.36 0.02 0.00 0.40 -0.20 -0.70 117.98 116.15 2aym s PHE 49 Ca 0.15 -0.54 0.01 0.00 -0.60 0.00 0.00 56.93 55.96 2aym s PHE 49 Cb -0.05 -0.73 -0.01 0.00 0.51 0.00 0.00 43.02 42.74 2aym s PHE 49 CO 0.11 0.12 -0.04 0.08 0.70 0.00 0.00 175.22 176.19 2aym s VAL 50 N -1.94 0.28 0.01 -0.44 1.01 -0.45 -0.72 120.40 118.14 2aym s VAL 50 Ca 0.06 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.44 2aym s VAL 50 Cb -0.06 -0.33 -0.01 0.00 0.00 0.00 0.00 36.38 35.97 2aym s VAL 50 CO 0.03 -0.24 -0.10 -0.70 0.00 0.00 0.00 175.10 174.09 2aym s GLU 51 N -0.93 0.71 0.17 2.72 2.12 0.10 -0.81 118.70 122.78 2aym s GLU 51 Ca -0.07 -0.50 0.02 0.00 0.36 0.00 0.00 54.97 54.77 2aym s GLU 51 Cb -0.06 -0.66 -0.05 0.00 0.26 0.00 0.00 34.13 33.62 2aym s GLU 51 CO -0.00 0.17 0.00 -0.06 -0.54 0.00 0.00 175.26 174.83 2aym s PHE 52 N -0.58 1.22 0.07 5.30 0.40 0.04 -1.06 117.98 123.38 2aym s PHE 52 Ca 0.00 -1.01 -0.21 0.00 -0.60 0.00 0.00 56.93 55.11 2aym s PHE 52 Cb -0.06 -0.70 -0.11 0.00 0.51 0.00 0.00 43.02 42.66 2aym s PHE 52 CO 0.00 -0.20 1.56 1.15 0.70 0.00 0.00 175.22 178.43 2aym h THR 53 N 2.69 1.20 -3.76 0.64 2.02 -0.95 -3.45 112.91 111.29 2aym h THR 53 Ca -0.37 -0.63 -0.17 0.00 0.77 0.00 0.00 66.41 66.01 2aym h THR 53 Cb 1.20 1.33 -0.22 0.00 -1.74 0.00 0.00 68.15 68.72 2aym h THR 53 CO 0.63 0.19 -0.63 0.42 0.37 0.00 0.00 175.52 176.50 2aym s THR 54 N -5.29 0.08 0.43 3.16 -4.23 -1.26 -4.98 115.64 103.55 2aym s THR 54 Ca -0.14 -0.64 0.10 0.00 -1.18 0.00 0.00 61.69 59.82 2aym s THR 54 Cb 0.06 -0.27 0.24 0.00 1.34 0.00 0.00 72.50 73.87 2aym s THR 54 CO 0.71 -0.35 2.04 -0.33 -0.54 0.00 0.00 174.62 176.14 2aym h GLU 55 N 4.87 0.34 -0.33 3.99 3.07 -1.90 -0.94 114.58 123.67 2aym h GLU 55 Ca -0.30 -0.03 -0.11 0.00 -0.50 0.00 0.00 59.36 58.42 2aym h GLU 55 Cb 1.20 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 29.03 2aym h GLU 55 CO 0.42 0.29 -0.23 -0.07 -1.40 0.00 0.00 179.01 178.02 2aym h LEU 56 N 0.34 0.66 0.19 1.33 4.07 -1.93 -1.31 115.31 118.67 2aym h LEU 56 Ca 0.09 -0.23 -0.32 0.00 0.08 0.00 0.00 57.88 57.49 2aym h LEU 56 Cb 0.07 -0.18 0.02 0.00 1.08 0.00 0.00 40.66 41.65 2aym h LEU 56 CO -0.01 0.88 -1.50 1.56 -1.08 0.00 0.00 178.44 178.29 2aym h GLN 57 N 0.57 0.41 -0.93 1.13 4.20 -1.63 -0.99 115.11 117.88 2aym h GLN 57 Ca 0.08 -0.70 -0.01 0.00 0.06 0.00 0.00 58.65 58.08 2aym h GLN 57 Cb 0.71 0.26 -0.04 0.00 0.30 0.00 0.00 27.48 28.70 2aym h GLN 57 CO 0.05 1.32 0.53 0.66 -0.67 0.00 0.00 178.83 180.72 2aym h SER 58 N 0.11 1.14 -0.42 1.46 4.64 -1.33 -0.54 113.55 118.61 2aym h SER 58 Ca -0.25 -0.09 0.01 0.00 -0.47 0.00 0.00 61.79 61.00 2aym h SER 58 Cb 2.09 -0.29 -0.03 0.00 -0.31 0.00 0.00 62.40 63.87 2aym h SER 58 CO 0.22 0.89 0.26 -1.13 -0.87 0.00 0.00 176.83 176.20 2aym h ASN 59 N 1.29 0.43 -0.61 4.97 -1.24 -1.17 0.15 115.58 119.39 2aym h ASN 59 Ca 0.33 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.34 2aym h ASN 59 Cb -0.01 -0.09 -0.03 0.00 0.73 0.00 0.00 38.32 38.91 2aym h ASN 59 CO -0.06 0.31 0.38 0.00 -1.29 0.00 0.00 177.43 176.77 2aym h ALA 60 N 1.18 0.78 -0.65 1.57 0.00 -0.82 -0.63 119.26 120.68 2aym h ALA 60 Ca 0.16 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2aym h ALA 60 Cb -0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 2aym h ALA 60 CO -0.06 0.24 0.15 0.00 0.00 0.00 0.00 179.25 179.58 2aym h ALA 61 N 1.20 1.04 0.17 0.00 0.00 -0.73 -0.96 119.26 119.98 2aym h ALA 61 Ca 0.22 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2aym h ALA 61 Cb -0.05 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.49 2aym h ALA 61 CO -0.04 0.63 -0.08 -0.22 0.00 0.00 0.00 179.25 179.53 2aym h LYS 62 N 0.99 -0.22 -0.82 0.00 3.64 -0.29 -0.50 116.57 119.37 2aym h LYS 62 Ca 0.21 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.65 2aym h LYS 62 Cb 0.35 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.18 2aym h LYS 62 CO 0.00 -0.15 0.54 0.93 -2.27 0.00 0.00 179.45 178.50 2aym h GLU 63 N -0.23 0.95 -0.06 1.90 4.39 -0.87 -0.26 114.58 120.40 2aym h GLU 63 Ca -0.02 -0.06 -0.20 0.00 0.34 0.00 0.00 59.36 59.42 2aym h GLU 63 Cb 0.18 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 28.61 2aym h GLU 63 CO 0.04 0.63 -0.80 0.00 -1.16 0.00 0.00 179.01 177.72 2aym h ALA 64 N 1.53 0.50 -0.00 3.43 0.00 -0.83 -3.38 119.26 120.51 2aym h ALA 64 Ca 0.33 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2aym h ALA 64 Cb 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2aym h ALA 64 CO -0.10 0.77 -0.04 1.28 0.00 0.00 0.00 179.25 181.16 2aym n LEU 65 N -3.82 0.98 -4.70 0.00 4.77 -0.23 -4.89 117.00 109.11 2aym n LEU 65 Ca -0.05 -0.87 -0.43 0.00 -0.03 0.00 0.00 56.01 54.62 2aym n LEU 65 Cb 0.75 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.81 2aym n LEU 65 CO 0.49 0.22 1.27 0.00 -1.33 0.00 0.00 177.39 178.05 2aym n GLN 66 N -0.14 2.51 -0.99 3.23 6.02 -0.13 -1.63 117.38 126.26 2aym n GLN 66 Ca 0.02 0.90 0.00 0.00 -0.01 0.00 0.00 57.00 57.91 2aym n GLN 66 Cb 0.07 -2.70 0.00 0.00 1.02 0.00 0.00 30.24 28.63 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 3.40 0.73 3.67 1.08 0.00 0.34 -5.00 105.19 109.41 2aym n GLY 67 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.95 2.66 -0.37 1.61 5.36 -0.64 -4.54 117.98 119.11 2aym s PHE 68 Ca 0.00 0.78 -0.28 0.00 -0.96 0.00 0.00 56.93 56.47 2aym s PHE 68 Cb 0.00 -3.64 -0.04 0.00 -0.34 0.00 0.00 43.02 39.00 2aym s PHE 68 CO 0.00 -2.38 2.05 0.15 -1.46 0.00 0.00 175.22 173.58 2aym s LYS 69 N 3.24 2.94 0.08 10.12 3.01 -1.26 -0.42 119.74 137.45 2aym s LYS 69 Ca 0.62 1.49 -0.16 0.00 -1.01 0.00 0.00 55.97 56.91 2aym s LYS 69 Cb -0.27 -4.35 -0.10 0.00 -1.01 0.00 0.00 37.83 32.10 2aym s LYS 69 CO 0.22 -2.33 1.40 0.82 0.51 0.00 0.00 175.35 175.97 2aym h ILE 70 N 7.09 1.31 -3.65 2.17 2.04 -1.61 -3.45 117.51 121.42 2aym h ILE 70 Ca -0.33 -1.42 -0.28 0.00 1.00 0.00 0.00 64.86 63.83 2aym h ILE 70 Cb 1.21 1.66 -0.15 0.00 -0.74 0.00 0.00 36.82 38.80 2aym h ILE 70 CO 1.06 0.45 -0.69 0.42 0.00 0.00 0.00 178.15 179.39 2aym s THR 71 N -4.33 0.85 0.64 -0.27 -4.23 -1.25 -5.04 115.64 102.01 2aym s THR 71 Ca -0.13 -1.99 0.22 0.00 -1.18 0.00 0.00 61.69 58.61 2aym s THR 71 Cb 0.08 -1.88 0.26 0.00 1.34 0.00 0.00 72.50 72.30 2aym s THR 71 CO 0.81 -0.71 1.58 -0.65 -0.54 0.00 0.00 174.62 175.11 2aym h PRO 72 N 2.81 0.00 0.00 3.99 0.11 -2.00 -0.76 132.00 136.16 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 0.64 0.00 -0.01 0.25 -0.21 0.00 0.00 178.00 178.66 2aym n THR 73 N -3.03 0.91 -3.51 -1.15 -2.24 -1.26 -4.86 114.28 99.14 2aym n THR 73 Ca 0.05 -0.96 -0.27 0.00 -2.27 0.00 0.00 64.05 60.61 2aym n THR 73 Cb 0.79 0.50 -0.10 0.00 -2.10 0.00 0.00 70.33 69.42 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 1.30 -2.01 4.78 8.25 -0.29 -5.04 115.22 121.70 2aym n HIS 74 Ca 0.02 -3.82 -0.43 0.00 -0.26 0.00 0.00 57.72 53.23 2aym n HIS 74 Cb 0.35 -0.28 -0.03 0.00 1.12 0.00 0.00 29.99 31.16 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 -1.13 2.90 -0.23 -1.41 0.00 -1.26 -1.43 121.76 119.19 2aym s ALA 75 Ca 0.32 0.27 -0.37 0.00 0.00 0.00 0.00 51.96 52.19 2aym s ALA 75 Cb 0.06 -4.00 -0.13 0.00 0.00 0.00 0.00 23.12 19.04 2aym s ALA 75 CO -0.14 -2.59 1.89 -0.12 0.00 0.00 0.00 175.76 174.80 2aym n MET 76 N 8.39 1.48 -3.62 0.00 1.56 0.44 -4.72 117.12 120.65 2aym n MET 76 Ca 0.23 0.52 -0.32 0.00 -0.27 0.00 0.00 57.70 57.86 2aym n MET 76 Cb 0.47 -2.36 -0.05 0.00 2.15 0.00 0.00 33.22 33.43 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 4.31 3.67 -0.00 2.12 1.02 -0.16 -0.51 119.74 130.18 2aym s LYS 77 Ca 0.99 0.01 0.01 0.00 0.02 0.00 0.00 55.97 57.00 2aym s LYS 77 Cb -0.90 -2.86 -0.00 0.00 -0.52 0.00 0.00 37.83 33.55 2aym s LYS 77 CO 0.58 0.47 -0.05 0.42 -0.92 0.00 0.00 175.35 175.85 2aym s ILE 78 N -1.62 0.36 0.03 2.17 1.01 -1.26 -1.45 121.20 120.44 2aym s ILE 78 Ca 0.40 -0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.85 2aym s ILE 78 Cb -0.12 -0.31 -0.02 0.00 0.01 0.00 0.00 42.46 42.01 2aym s ILE 78 CO 0.23 0.10 -0.04 0.42 0.00 0.00 0.00 174.94 175.64 2aym s THR 79 N -0.13 0.22 -0.03 2.92 -4.23 0.03 -5.01 115.64 109.41 2aym s THR 79 Ca 0.02 -0.95 -0.30 0.00 -1.18 0.00 0.00 61.69 59.28 2aym s THR 79 Cb -0.02 -0.35 -0.05 0.00 1.34 0.00 0.00 72.50 73.42 2aym s THR 79 CO -0.00 -0.46 1.49 -0.36 -0.54 0.00 0.00 174.62 174.75 2aym s PHE 80 N -1.42 2.53 0.58 3.99 0.08 -1.26 -0.76 117.98 121.71 2aym s PHE 80 Ca -0.14 0.59 -0.10 0.00 0.12 0.00 0.00 56.93 57.40 2aym s PHE 80 Cb -0.10 -3.76 0.14 0.00 -0.57 0.00 0.00 43.02 38.74 2aym s PHE 80 CO -0.01 -2.95 0.60 0.00 -0.10 0.00 0.00 175.22 172.76 2aym n ALA 81 N 6.12 -1.38 -2.64 5.36 0.00 -0.36 -4.47 120.51 123.13 2aym n ALA 81 Ca 0.15 -0.85 -0.29 0.00 0.00 0.00 0.00 53.44 52.45 2aym n ALA 81 Cb 0.43 -0.05 -0.09 0.00 0.00 0.00 0.00 19.45 19.74 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 -4.34 2.03 0.00 0.00 1.02 -1.26 -4.78 119.74 112.42 2aym s LYS 82 Ca 0.37 -2.25 0.00 0.00 0.02 0.00 0.00 55.97 54.11 2aym s LYS 82 Cb -0.03 -1.25 0.00 0.00 -0.52 0.00 0.00 37.83 36.04 2aym s LYS 82 CO 0.27 -0.32 0.13 1.63 -0.92 0.00 0.00 175.35 176.14