#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ffm s ILE 3 N 0.00 4.93 -0.25 3.15 -1.09 -1.26 -1.75 121.20 124.94 2ffm s ILE 3 Ca 0.00 1.71 0.18 0.00 -2.23 0.00 0.00 60.65 60.31 2ffm s ILE 3 Cb 0.00 -4.16 -0.25 0.00 -1.58 0.00 0.00 42.46 36.46 2ffm s ILE 3 CO 0.00 0.15 0.49 0.00 -1.23 0.00 0.00 174.94 174.35 2ffm n ILE 4 N 4.12 0.00 -3.64 2.92 3.06 -0.03 -4.94 119.36 120.86 2ffm n ILE 4 Ca 0.03 -0.32 -0.09 0.00 -2.50 0.00 0.00 62.75 59.87 2ffm n ILE 4 Cb 0.50 0.34 -0.07 0.00 0.54 0.00 0.00 39.64 40.96 2ffm n ILE 4 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 2ffm s SER 5 N -3.67 -0.51 -0.11 9.51 0.15 -1.10 -4.99 113.70 112.99 2ffm s SER 5 Ca -0.03 0.95 0.01 0.00 0.70 0.00 0.00 55.95 57.58 2ffm s SER 5 Cb 0.12 1.00 0.02 0.00 -1.71 0.00 0.00 66.02 65.45 2ffm s SER 5 CO 0.74 -0.16 -0.12 -0.63 1.20 0.00 0.00 173.24 174.27 2ffm s ILE 6 N 0.42 1.29 0.38 6.45 1.01 -1.26 -0.02 121.20 129.46 2ffm s ILE 6 Ca 0.01 -0.50 0.05 0.00 0.00 0.00 0.00 60.65 60.21 2ffm s ILE 6 Cb -0.05 -1.22 -0.03 0.00 0.01 0.00 0.00 42.46 41.18 2ffm s ILE 6 CO -0.07 0.40 0.18 -0.44 0.00 0.00 0.00 174.94 175.01 2ffm s SER 7 N 1.22 2.35 0.11 3.58 0.01 -0.43 -5.03 113.70 115.51 2ffm s SER 7 Ca -0.03 -1.70 -0.03 0.00 1.31 0.00 0.00 55.95 55.51 2ffm s SER 7 Cb -0.14 0.53 -0.05 0.00 0.21 0.00 0.00 66.02 66.57 2ffm s SER 7 CO -0.04 -0.97 0.31 -0.70 0.41 0.00 0.00 173.24 172.24 2ffm s GLU 8 N -3.64 3.55 0.36 12.44 2.56 -1.26 -3.12 118.70 129.59 2ffm s GLU 8 Ca 0.30 -0.23 0.08 0.00 0.00 0.00 0.00 54.97 55.12 2ffm s GLU 8 Cb 0.03 -2.93 -0.05 0.00 2.00 0.00 0.00 34.13 33.18 2ffm s GLU 8 CO 0.19 0.53 0.11 -0.08 -0.56 0.00 0.00 175.26 175.44 2ffm s THR 9 N -1.59 2.68 -0.60 -1.70 -1.32 -1.24 -4.75 115.64 107.10 2ffm s THR 9 Ca 0.38 -1.80 0.07 0.00 -1.21 0.00 0.00 61.69 59.14 2ffm s THR 9 Cb -0.12 -2.92 0.07 0.00 -1.51 0.00 0.00 72.50 68.01 2ffm s THR 9 CO 0.26 -0.14 1.15 -0.81 -2.21 0.00 0.00 174.62 172.87 2ffm n PRO 10 N -1.10 0.04 -4.12 7.08 -0.04 -1.26 -4.58 135.00 131.02 2ffm n PRO 10 Ca -0.03 0.50 -0.24 0.00 -0.04 0.00 0.00 63.50 63.69 2ffm n PRO 10 Cb 0.63 -1.72 -0.07 0.00 -0.04 0.00 0.00 33.50 32.29 2ffm n PRO 10 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2ffm s ASN 11 N -3.22 4.51 -0.10 3.54 2.47 -1.26 -5.08 114.94 115.80 2ffm s ASN 11 Ca -0.01 -0.93 -0.01 0.00 0.42 0.00 0.00 52.86 52.33 2ffm s ASN 11 Cb 0.02 -0.58 -0.25 0.00 -1.45 0.00 0.00 41.25 38.99 2ffm s ASN 11 CO 0.06 -0.41 0.42 1.57 -3.72 0.00 0.00 177.10 175.02 2ffm n HIS 12 N -1.17 1.12 1.17 0.43 -0.00 -1.26 -4.20 115.22 111.30 2ffm n HIS 12 Ca -0.02 0.28 0.02 0.00 -0.00 0.00 0.00 57.72 58.00 2ffm n HIS 12 Cb 0.63 -1.16 0.08 0.00 -0.00 0.00 0.00 29.99 29.54 2ffm n HIS 12 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 2ffm n ASN 13 N -3.34 1.30 -3.40 0.26 3.02 -1.26 -4.98 115.26 106.87 2ffm n ASN 13 Ca -0.28 -2.07 -0.18 0.00 -0.03 0.00 0.00 54.58 52.02 2ffm n ASN 13 Cb 1.05 -0.25 -0.08 0.00 -0.61 0.00 0.00 39.78 39.89 2ffm n ASN 13 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2ffm s THR 14 N -1.66 0.00 -0.10 3.41 -1.32 -1.26 0.07 115.64 114.79 2ffm s THR 14 Ca 0.12 -1.94 -0.03 0.00 -1.21 0.00 0.00 61.69 58.62 2ffm s THR 14 Cb 0.07 -2.52 0.05 0.00 -1.51 0.00 0.00 72.50 68.59 2ffm s THR 14 CO 0.07 0.00 0.10 -0.75 -2.21 0.00 0.00 174.62 171.83 2ffm s LYS 16 N -3.44 0.00 -0.29 7.08 2.20 -1.18 -3.71 119.74 120.40 2ffm s LYS 16 Ca 0.39 0.29 -0.07 0.00 -0.36 0.00 0.00 55.97 56.23 2ffm s LYS 16 Cb 0.02 -0.84 0.01 0.00 -1.51 0.00 0.00 37.83 35.51 2ffm s LYS 16 CO 0.26 -0.44 0.08 0.42 -0.36 0.00 0.00 175.35 175.31 2ffm s ILE 17 N 2.20 3.97 -0.19 5.43 1.01 -0.53 -1.32 121.20 131.78 2ffm s ILE 17 Ca 0.04 -0.65 -0.17 0.00 0.00 0.00 0.00 60.65 59.87 2ffm s ILE 17 Cb -0.13 -3.03 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 2ffm s ILE 17 CO -0.06 0.11 0.45 -0.89 0.00 0.00 0.00 174.94 174.55 2ffm s THR 18 N 1.51 5.17 0.34 2.92 2.01 0.97 -1.27 115.64 127.29 2ffm s THR 18 Ca 0.03 0.82 0.06 0.00 0.31 0.00 0.00 61.69 62.92 2ffm s THR 18 Cb -0.17 -3.78 -0.01 0.00 0.01 0.00 0.00 72.50 68.55 2ffm s THR 18 CO 0.02 0.24 0.48 -0.76 -0.69 0.00 0.00 174.62 173.91 2ffm s LEU 19 N 1.27 3.96 -0.10 4.42 1.02 -0.20 -0.85 118.68 128.21 2ffm s LEU 19 Ca 0.22 -0.16 -0.24 0.00 0.02 0.00 0.00 54.13 53.96 2ffm s LEU 19 Cb -0.15 -2.77 -0.20 0.00 0.02 0.00 0.00 46.19 43.08 2ffm s LEU 19 CO 0.09 -0.44 0.81 0.77 0.02 0.00 0.00 176.35 177.60 2ffm h SER 20 N 0.87 -0.04 -2.92 2.29 4.64 -1.62 -3.44 113.55 113.34 2ffm h SER 20 Ca -0.46 -0.68 -0.57 0.00 -0.47 0.00 0.00 61.79 59.62 2ffm h SER 20 Cb 1.26 0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 63.32 2ffm h SER 20 CO 0.53 0.73 0.98 -0.70 -0.87 0.00 0.00 176.83 177.50 2ffm s GLU 21 N -2.78 4.06 0.57 4.77 2.12 -1.26 -5.01 118.70 121.16 2ffm s GLU 21 Ca -0.15 1.61 -0.07 0.00 0.36 0.00 0.00 54.97 56.71 2ffm s GLU 21 Cb -0.01 -3.87 -0.02 0.00 0.26 0.00 0.00 34.13 30.49 2ffm s GLU 21 CO 0.58 -0.95 0.90 0.45 -0.54 0.00 0.00 175.26 175.70 2ffm s SER 22 N 2.77 5.94 0.28 -1.70 0.15 -1.26 -4.83 113.70 115.05 2ffm s SER 22 Ca 0.60 0.96 -0.26 0.00 0.70 0.00 0.00 55.95 57.95 2ffm s SER 22 Cb -0.22 -2.07 -0.09 0.00 -1.71 0.00 0.00 66.02 61.93 2ffm s SER 22 CO 0.21 -0.88 0.91 -0.60 1.20 0.00 0.00 173.24 174.08 2ffm s ARG 23 N -4.97 4.62 0.02 5.44 3.52 -1.26 -4.96 118.95 121.36 2ffm s ARG 23 Ca 0.52 1.31 -0.21 0.00 -0.13 0.00 0.00 55.73 57.22 2ffm s ARG 23 Cb -0.11 -2.97 -0.17 0.00 -1.56 0.00 0.00 34.95 30.14 2ffm s ARG 23 CO 0.47 0.38 1.26 1.49 -0.81 0.00 0.00 175.30 178.10 2ffm h GLU 24 N 3.55 0.33 0.00 5.12 4.81 -2.03 -3.47 114.58 122.89 2ffm h GLU 24 Ca -0.46 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 58.55 2ffm h GLU 24 Cb 1.20 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.60 2ffm h GLU 24 CO 0.66 0.81 0.00 0.41 -0.73 0.00 0.00 179.01 180.16 2ffm n GLY 25 N 0.43 1.03 0.45 1.92 0.00 -1.26 -5.23 105.19 102.53 2ffm n GLY 25 Ca -0.07 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.53 2ffm n GLY 25 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ffm n THR 27 N 0.00 0.00 -3.72 2.61 -2.24 -1.26 -5.08 114.28 104.59 2ffm n THR 27 Ca 0.00 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.56 2ffm n THR 27 Cb 0.00 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 2ffm n THR 27 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2ffm s SER 28 N -3.49 4.87 -0.10 3.42 1.04 -1.26 -4.77 113.70 113.41 2ffm s SER 28 Ca 0.00 -0.85 -0.07 0.00 0.48 0.00 0.00 55.95 55.51 2ffm s SER 28 Cb 0.00 -0.53 0.03 0.00 0.10 0.00 0.00 66.02 65.62 2ffm s SER 28 CO 0.00 -0.63 0.24 -1.81 0.98 0.00 0.00 173.24 172.02 2ffm s ASP 29 N -4.07 -0.26 -0.24 7.02 1.01 -0.49 -5.01 116.67 114.64 2ffm s ASP 29 Ca 0.46 0.50 0.02 0.00 0.71 0.00 0.00 52.55 54.24 2ffm s ASP 29 Cb -0.01 0.47 0.04 0.00 1.01 0.00 0.00 42.92 44.43 2ffm s ASP 29 CO 0.26 -0.11 -0.13 -0.89 0.21 0.00 0.00 175.17 174.51 2ffm s THR 30 N 0.48 2.21 -0.23 -1.27 2.01 -1.26 -0.36 115.64 117.22 2ffm s THR 30 Ca -0.03 -1.37 -0.08 0.00 0.31 0.00 0.00 61.69 60.52 2ffm s THR 30 Cb -0.04 -2.18 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 2ffm s THR 30 CO -0.02 0.16 0.09 -0.31 -0.69 0.00 0.00 174.62 173.85 2ffm s TYR 31 N 1.18 3.18 -0.14 4.92 1.51 -0.03 -4.94 117.35 123.03 2ffm s TYR 31 Ca -0.04 -0.12 0.11 0.00 -1.01 0.00 0.00 57.07 56.01 2ffm s TYR 31 Cb -0.18 -2.20 -0.15 0.00 -0.11 0.00 0.00 41.96 39.32 2ffm s TYR 31 CO -0.07 -0.11 0.29 0.25 -1.11 0.00 0.00 175.55 174.79 2ffm n THR 32 N 4.38 0.00 -3.88 -0.71 -2.24 -1.26 -1.09 114.28 109.48 2ffm n THR 32 Ca -0.16 -0.25 -0.10 0.00 -2.27 0.00 0.00 64.05 61.27 2ffm n THR 32 Cb 0.52 0.45 -0.09 0.00 -2.10 0.00 0.00 70.33 69.11 2ffm n THR 32 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2ffm s LYS 33 N -2.54 0.63 0.26 -0.78 -2.85 -1.26 -4.83 119.74 108.38 2ffm s LYS 33 Ca -0.02 -0.67 -0.21 0.00 -1.00 0.00 0.00 55.97 54.07 2ffm s LYS 33 Cb 0.07 0.26 -0.09 0.00 -2.06 0.00 0.00 37.83 36.01 2ffm s LYS 33 CO 0.44 -0.17 0.80 0.14 0.10 0.00 0.00 175.35 176.66 2ffm s VAL 34 N -2.50 4.45 -0.15 1.79 -7.23 -1.26 -5.03 120.40 110.48 2ffm s VAL 34 Ca -0.06 1.45 -0.30 0.00 -1.81 0.00 0.00 61.98 61.26 2ffm s VAL 34 Cb -0.02 -3.89 0.13 0.00 0.56 0.00 0.00 36.38 33.17 2ffm s VAL 34 CO -0.04 0.15 1.02 1.51 -0.31 0.00 0.00 175.10 177.43 2ffm s ASP 35 N -1.69 -0.34 0.62 4.85 3.84 -1.26 -5.06 116.67 117.64 2ffm s ASP 35 Ca 0.46 0.32 0.25 0.00 -0.00 0.00 0.00 52.55 53.58 2ffm s ASP 35 Cb -0.17 0.29 1.16 0.00 -1.38 0.00 0.00 42.92 42.82 2ffm s ASP 35 CO 0.21 -0.35 1.62 -2.24 -0.00 0.00 0.00 175.17 174.42 2ffm h ASP 36 N 2.45 0.00 0.35 2.11 2.03 -1.98 -2.26 116.42 119.11 2ffm h ASP 36 Ca -0.18 0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 55.92 2ffm h ASP 36 Cb 1.17 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.67 2ffm h ASP 36 CO 0.30 0.00 -0.83 0.77 -1.03 0.00 0.00 179.24 178.45 2ffm h SER 37 N 0.00 0.45 -4.07 4.15 4.64 -2.00 -3.46 113.55 113.25 2ffm h SER 37 Ca 0.22 -0.33 -0.48 0.00 -0.47 0.00 0.00 61.79 60.73 2ffm h SER 37 Cb 1.67 -0.14 0.15 0.00 -0.31 0.00 0.00 62.40 63.77 2ffm h SER 37 CO -0.00 1.10 0.25 -1.10 -0.87 0.00 0.00 176.83 176.20 2ffm s GLN 38 N -3.42 1.24 0.66 4.77 -0.21 -0.85 -4.99 119.66 116.86 2ffm s GLN 38 Ca -0.05 0.85 -0.16 0.00 0.02 0.00 0.00 55.36 56.02 2ffm s GLN 38 Cb 0.10 -1.80 0.00 0.00 1.00 0.00 0.00 33.01 32.31 2ffm s GLN 38 CO 0.85 -2.26 1.17 -2.14 -2.12 0.00 0.00 175.29 170.78 2ffm s PRO 39 N -4.92 2.62 0.09 2.91 0.02 -1.26 -4.89 135.00 129.58 2ffm s PRO 39 Ca 0.64 1.64 -0.22 0.00 0.02 0.00 0.00 61.00 63.08 2ffm s PRO 39 Cb -0.18 -1.90 -0.13 0.00 0.02 0.00 0.00 34.50 32.31 2ffm s PRO 39 CO 0.57 -1.44 1.71 0.00 -0.33 0.00 0.00 177.00 177.51 2ffm h ALA 40 N 0.18 0.09 -0.14 -1.55 0.00 -1.94 -2.14 119.26 113.75 2ffm h ALA 40 Ca -0.48 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.43 2ffm h ALA 40 Cb 1.28 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2ffm h ALA 40 CO 0.53 -0.40 0.10 0.27 0.00 0.00 0.00 179.25 179.75 2ffm h PHE 41 N 0.05 0.05 -0.56 0.00 -0.00 -1.97 -1.02 116.94 113.49 2ffm h PHE 41 Ca 0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 57.97 57.91 2ffm h PHE 41 Cb 0.04 -0.02 -0.02 0.00 -0.00 0.00 0.00 35.95 35.95 2ffm h PHE 41 CO -0.06 0.03 0.01 0.82 -0.00 0.00 0.00 178.31 179.11 2ffm h ILE 42 N 0.05 1.26 -0.01 0.88 1.08 -1.76 -1.89 117.51 117.11 2ffm h ILE 42 Ca 0.07 -1.09 -0.16 0.00 -0.39 0.00 0.00 64.86 63.29 2ffm h ILE 42 Cb 0.21 0.82 -0.02 0.00 -3.07 0.00 0.00 36.82 34.75 2ffm h ILE 42 CO -0.00 0.39 -0.72 0.78 -0.69 0.00 0.00 178.15 177.90 2ffm h ASN 43 N 0.88 0.06 0.03 1.72 -0.26 -0.86 -2.73 115.58 114.42 2ffm h ASN 43 Ca 0.16 -0.04 -0.13 0.00 -0.56 0.00 0.00 56.30 55.73 2ffm h ASN 43 Cb 0.51 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.74 2ffm h ASN 43 CO 0.02 0.76 -0.44 0.44 -1.06 0.00 0.00 177.43 177.16 2ffm h ASP 44 N 0.03 0.53 -0.20 5.81 3.32 -1.00 -2.52 116.42 122.39 2ffm h ASP 44 Ca -0.01 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 56.74 2ffm h ASP 44 Cb 1.28 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 2ffm h ASP 44 CO 0.10 0.90 -0.08 0.40 -1.72 0.00 0.00 179.24 178.84 2ffm h ILE 45 N 0.40 1.30 -0.66 0.35 2.04 -1.29 -3.06 117.51 116.59 2ffm h ILE 45 Ca 0.03 -1.11 0.07 0.00 1.00 0.00 0.00 64.86 64.84 2ffm h ILE 45 Cb 0.93 1.62 -0.04 0.00 -0.74 0.00 0.00 36.82 38.58 2ffm h ILE 45 CO 0.08 0.34 0.44 -0.07 0.00 0.00 0.00 178.15 178.94 2ffm h LEU 46 N 0.11 0.57 0.00 1.44 4.07 -1.42 -0.57 115.31 119.52 2ffm h LEU 46 Ca 0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.01 2ffm h LEU 46 Cb 0.55 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.17 2ffm h LEU 46 CO 0.03 0.37 0.00 0.29 -1.08 0.00 0.00 178.44 178.04 2ffm n LYS 47 N -4.48 0.05 -2.32 1.13 5.02 -0.96 -4.70 118.16 111.91 2ffm n LYS 47 Ca 0.10 0.25 -0.42 0.00 -2.02 0.00 0.00 58.31 56.21 2ffm n LYS 47 Cb 0.25 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.73 2ffm n LYS 47 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2ffm s VAL 48 N -2.89 3.95 -0.14 -0.18 1.01 -0.22 -4.93 120.40 116.99 2ffm s VAL 48 Ca 0.08 1.29 -0.30 0.00 0.00 0.00 0.00 61.98 63.05 2ffm s VAL 48 Cb 0.09 -3.83 -0.08 0.00 0.00 0.00 0.00 36.38 32.55 2ffm s VAL 48 CO 0.23 -0.01 2.10 1.21 0.00 0.00 0.00 175.10 178.62 2ffm n GLU 49 N 5.43 2.16 0.00 2.72 4.07 -1.26 -1.67 120.64 132.09 2ffm n GLU 49 Ca 0.12 0.70 0.00 0.00 -0.06 0.00 0.00 57.16 57.92 2ffm n GLU 49 Cb 0.45 -3.00 0.00 0.00 -0.06 0.00 0.00 31.44 28.83 2ffm n GLU 49 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2ffm n GLY 50 N 5.30 2.33 3.70 8.31 0.00 -1.26 -4.78 105.19 118.79 2ffm n GLY 50 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 2ffm n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ffm s VAL 51 N -2.13 4.35 -0.20 1.61 1.01 -0.67 0.89 120.40 125.26 2ffm s VAL 51 Ca 0.00 1.68 -0.15 0.00 0.00 0.00 0.00 61.98 63.50 2ffm s VAL 51 Cb 0.00 -4.08 -0.10 0.00 0.00 0.00 0.00 36.38 32.21 2ffm s VAL 51 CO 0.00 0.07 -0.16 1.17 0.00 0.00 0.00 175.10 176.18 2ffm n LYS 52 N 4.53 0.53 -4.03 2.72 3.00 0.40 -4.81 118.16 120.50 2ffm n LYS 52 Ca 0.09 0.41 -0.12 0.00 -0.00 0.00 0.00 58.31 58.69 2ffm n LYS 52 Cb 0.47 -1.60 -0.04 0.00 0.00 0.00 0.00 35.03 33.86 2ffm n LYS 52 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2ffm s SER 53 N -6.46 0.39 -0.03 3.14 1.04 -1.10 -4.77 113.70 105.92 2ffm s SER 53 Ca -0.27 -1.23 -0.00 0.00 0.48 0.00 0.00 55.95 54.93 2ffm s SER 53 Cb 0.06 0.64 0.03 0.00 0.10 0.00 0.00 66.02 66.85 2ffm s SER 53 CO 0.42 -1.25 0.02 -0.63 0.98 0.00 0.00 173.24 172.78 2ffm s ILE 54 N -3.42 0.05 -0.24 -1.02 -1.09 -0.25 -1.47 121.20 113.75 2ffm s ILE 54 Ca 0.26 0.19 -0.07 0.00 -2.23 0.00 0.00 60.65 58.81 2ffm s ILE 54 Cb -0.01 -0.19 -0.03 0.00 -1.58 0.00 0.00 42.46 40.66 2ffm s ILE 54 CO 0.15 0.13 0.06 0.12 -1.23 0.00 0.00 174.94 174.17 2ffm s PHE 55 N 1.26 3.08 -0.17 3.97 5.36 0.50 -0.85 117.98 131.13 2ffm s PHE 55 Ca -0.07 -0.44 0.01 0.00 -0.96 0.00 0.00 56.93 55.47 2ffm s PHE 55 Cb -0.13 -2.22 0.02 0.00 -0.34 0.00 0.00 43.02 40.35 2ffm s PHE 55 CO -0.03 -0.35 -0.19 -1.58 -1.46 0.00 0.00 175.22 171.61 2ffm s HIS 56 N 1.55 2.69 0.00 10.12 5.65 0.51 0.75 115.29 136.56 2ffm s HIS 56 Ca 0.06 -1.57 0.01 0.00 0.25 0.00 0.00 55.06 53.81 2ffm s HIS 56 Cb -0.15 -1.87 0.02 0.00 -1.18 0.00 0.00 32.58 29.40 2ffm s HIS 56 CO 0.03 -0.78 1.00 1.55 -0.65 0.00 0.00 174.74 175.89 2ffm n VAL 57 N 4.61 0.00 0.00 0.89 3.14 -1.26 -1.40 118.33 124.31 2ffm n VAL 57 Ca -0.20 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.14 2ffm n VAL 57 Cb 0.50 0.52 0.00 0.00 -1.06 0.00 0.00 33.84 33.80 2ffm n VAL 57 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 2ffm n ASP 59 N 0.02 0.00 -3.50 6.55 5.75 -1.26 -4.72 116.55 119.38 2ffm n ASP 59 Ca -0.26 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.39 2ffm n ASP 59 Cb 0.72 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.77 2ffm n ASP 59 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 2ffm s PHE 60 N 0.13 -0.47 -0.05 2.11 -0.71 -1.26 -1.04 117.98 116.68 2ffm s PHE 60 Ca 0.00 0.39 0.05 0.00 -1.04 0.00 0.00 56.93 56.33 2ffm s PHE 60 Cb 0.00 0.44 -0.00 0.00 -1.21 0.00 0.00 43.02 42.25 2ffm s PHE 60 CO 0.00 -0.75 -0.19 0.96 -1.34 0.00 0.00 175.22 173.90 2ffm s ILE 61 N -3.14 1.62 -0.33 -4.49 -4.36 -0.40 -4.51 121.20 105.60 2ffm s ILE 61 Ca -0.02 -0.82 -0.09 0.00 -0.26 0.00 0.00 60.65 59.46 2ffm s ILE 61 Cb -0.00 -1.38 0.01 0.00 1.25 0.00 0.00 42.46 42.33 2ffm s ILE 61 CO -0.07 0.46 0.15 -0.44 0.24 0.00 0.00 174.94 175.28 2ffm s SER 62 N 0.02 5.51 -0.09 4.36 0.01 0.23 -1.46 113.70 122.28 2ffm s SER 62 Ca -0.05 -0.73 -0.15 0.00 1.31 0.00 0.00 55.95 56.32 2ffm s SER 62 Cb -0.13 -1.98 -0.05 0.00 0.21 0.00 0.00 66.02 64.08 2ffm s SER 62 CO 0.03 -0.26 0.39 -0.69 0.41 0.00 0.00 173.24 173.12 2ffm s VAL 63 N 1.56 5.18 -0.15 3.43 1.01 -1.26 -0.37 120.40 129.80 2ffm s VAL 63 Ca 0.03 0.77 -0.02 0.00 0.00 0.00 0.00 61.98 62.76 2ffm s VAL 63 Cb -0.18 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 2ffm s VAL 63 CO 0.05 0.44 -0.08 -1.81 0.00 0.00 0.00 175.10 173.71 2ffm s ASP 64 N -0.07 4.41 0.50 3.32 1.01 -0.54 -4.23 116.67 121.07 2ffm s ASP 64 Ca 0.22 -0.23 0.05 0.00 0.71 0.00 0.00 52.55 53.30 2ffm s ASP 64 Cb -0.15 -1.70 0.03 0.00 1.01 0.00 0.00 42.92 42.11 2ffm s ASP 64 CO 0.09 0.16 0.69 -1.59 0.21 0.00 0.00 175.17 174.74 2ffm s LYS 65 N 0.40 2.60 0.39 8.23 -2.85 0.11 0.15 119.74 128.76 2ffm s LYS 65 Ca -0.07 -1.11 -0.24 0.00 -1.00 0.00 0.00 55.97 53.55 2ffm s LYS 65 Cb -0.15 -2.62 -0.09 0.00 -2.06 0.00 0.00 37.83 32.90 2ffm s LYS 65 CO 0.04 -0.57 1.01 -1.21 0.10 0.00 0.00 175.35 174.73 2ffm s GLU 66 N -4.58 4.27 0.46 1.78 0.41 0.26 -4.49 118.70 116.80 2ffm s GLU 66 Ca 0.57 1.43 0.16 0.00 -0.41 0.00 0.00 54.97 56.72 2ffm s GLU 66 Cb -0.09 -2.56 1.13 0.00 -1.78 0.00 0.00 34.13 30.83 2ffm s GLU 66 CO 0.36 -0.03 2.00 -0.97 -0.49 0.00 0.00 175.26 176.13 2ffm h ASN 67 N 2.59 0.25 0.79 -0.19 -1.24 -1.96 -0.98 115.58 114.84 2ffm h ASN 67 Ca -0.48 0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.54 2ffm h ASN 67 Cb 1.21 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 40.21 2ffm h ASN 67 CO 0.63 0.15 -0.39 0.47 -1.29 0.00 0.00 177.43 177.00 2ffm n ASP 68 N -4.46 0.47 -4.93 1.15 9.92 -1.26 -4.91 116.55 112.54 2ffm n ASP 68 Ca 0.08 0.08 -0.25 0.00 -0.53 0.00 0.00 54.79 54.17 2ffm n ASP 68 Cb 0.39 -0.02 0.01 0.00 -0.64 0.00 0.00 41.12 40.86 2ffm n ASP 68 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2ffm s ALA 69 N -3.06 3.51 0.02 2.24 0.00 -0.37 -5.10 121.76 119.00 2ffm s ALA 69 Ca 0.10 -0.79 0.08 0.00 0.00 0.00 0.00 51.96 51.35 2ffm s ALA 69 Cb 0.16 -2.40 -0.02 0.00 0.00 0.00 0.00 23.12 20.86 2ffm s ALA 69 CO 0.66 -0.48 -0.22 0.54 0.00 0.00 0.00 175.76 176.26 2ffm s ASN 70 N -4.20 2.67 0.51 0.00 4.22 -1.26 -4.79 114.94 112.09 2ffm s ASN 70 Ca 0.49 -0.49 0.22 0.00 -2.14 0.00 0.00 52.86 50.95 2ffm s ASN 70 Cb -0.10 -0.26 1.37 0.00 1.28 0.00 0.00 41.25 43.54 2ffm s ASN 70 CO 0.42 0.23 2.10 -0.50 -2.04 0.00 0.00 177.10 177.31 2ffm h TRP 71 N 5.15 0.00 -0.32 1.54 4.06 -1.96 -2.37 115.95 122.05 2ffm h TRP 71 Ca -0.42 0.00 0.09 0.00 2.06 0.00 0.00 58.89 60.62 2ffm h TRP 71 Cb 1.15 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.29 2ffm h TRP 71 CO 0.45 0.10 0.23 0.93 -3.56 0.00 0.00 178.44 176.59 2ffm h GLU 72 N 0.00 0.02 0.00 0.49 3.07 -2.00 0.28 114.58 116.43 2ffm h GLU 72 Ca -0.00 -0.00 -0.27 0.00 -0.50 0.00 0.00 59.36 58.59 2ffm h GLU 72 Cb 0.20 -0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.06 2ffm h GLU 72 CO 0.01 0.01 -2.20 -2.37 -1.40 0.00 0.00 179.01 173.07 2ffm n THR 73 N -4.45 1.02 -0.01 1.13 5.66 -0.93 -4.56 114.28 112.15 2ffm n THR 73 Ca 0.05 -0.72 -0.19 0.00 -3.05 0.00 0.00 64.05 60.13 2ffm n THR 73 Cb 0.39 -0.40 -0.14 0.00 -1.55 0.00 0.00 70.33 68.63 2ffm n THR 73 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 2ffm h VAL 74 N 0.00 1.31 -0.65 1.08 2.07 -1.22 -3.36 116.25 115.48 2ffm h VAL 74 Ca -0.41 -2.40 0.10 0.00 0.82 0.00 0.00 66.70 64.82 2ffm h VAL 74 Cb 1.90 2.93 -0.07 0.00 -1.52 0.00 0.00 31.29 34.53 2ffm h VAL 74 CO 0.02 0.63 0.27 0.25 0.02 0.00 0.00 177.57 178.77 2ffm h LEU 75 N -0.57 0.31 -0.88 2.57 5.85 -1.21 0.26 115.31 121.64 2ffm h LEU 75 Ca -0.20 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.55 2ffm h LEU 75 Cb 1.50 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.53 2ffm h LEU 75 CO 0.03 0.17 0.28 1.55 -0.34 0.00 0.00 178.44 180.14 2ffm h PRO 76 N 0.47 1.10 -0.04 5.25 0.13 -1.75 0.01 132.00 137.18 2ffm h PRO 76 Ca 0.33 -0.20 -0.12 0.00 -0.87 0.00 0.00 66.00 65.14 2ffm h PRO 76 Cb 0.40 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.33 2ffm h PRO 76 CO -0.30 0.90 -0.53 0.87 -0.23 0.00 0.00 178.00 178.71 2ffm h LYS 77 N 1.07 0.11 -0.41 0.86 1.57 -1.53 -0.30 116.57 117.93 2ffm h LYS 77 Ca 0.25 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.86 2ffm h LYS 77 Cb 0.22 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 2ffm h LYS 77 CO -0.02 0.61 -0.13 0.28 -0.57 0.00 0.00 179.45 179.62 2ffm h VAL 78 N 0.08 1.28 0.00 0.50 2.07 -0.18 -2.80 116.25 117.20 2ffm h VAL 78 Ca -0.00 -1.25 -0.10 0.00 0.82 0.00 0.00 66.70 66.17 2ffm h VAL 78 Cb 0.97 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 2ffm h VAL 78 CO 0.07 0.42 -0.46 -0.08 0.02 0.00 0.00 177.57 177.54 2ffm h GLU 79 N 0.63 0.00 0.00 1.57 4.22 -0.87 -2.97 114.58 117.16 2ffm h GLU 79 Ca 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.53 2ffm h GLU 79 Cb 0.67 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 2ffm h GLU 79 CO 0.05 0.46 -0.05 0.00 -2.18 0.00 0.00 179.01 177.29 2ffm h ALA 80 N 1.54 1.27 -0.54 2.92 0.00 -0.78 -2.37 119.26 121.30 2ffm h ALA 80 Ca -0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2ffm h ALA 80 Cb 1.08 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2ffm h ALA 80 CO 0.06 0.06 0.23 0.28 0.00 0.00 0.00 179.25 179.88 2ffm h VAL 81 N 0.00 1.21 0.00 0.00 2.07 -1.43 -1.32 116.25 116.78 2ffm h VAL 81 Ca -0.00 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.87 2ffm h VAL 81 Cb 0.18 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2ffm h VAL 81 CO 0.01 0.25 0.00 0.49 0.02 0.00 0.00 177.57 178.34 2ffm n PHE 82 N -4.53 0.00 -0.41 1.57 3.72 -0.89 -5.06 117.46 111.85 2ffm n PHE 82 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 2ffm n PHE 82 Cb 0.15 -0.36 0.00 0.00 -0.94 0.00 0.00 39.48 38.33 2ffm n PHE 82 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10