#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1h s GLU 2 N 0.00 0.25 0.79 3.17 2.12 -1.26 -5.10 118.70 118.67 2k1h s GLU 2 Ca 0.00 0.31 -0.16 0.00 0.36 0.00 0.00 54.97 55.48 2k1h s GLU 2 Cb 0.00 0.11 -0.06 0.00 0.26 0.00 0.00 34.13 34.44 2k1h s GLU 2 CO 0.00 -0.04 0.18 0.44 -0.54 0.00 0.00 175.26 175.31 2k1h n ILE 3 N 3.04 0.87 0.00 -3.70 -5.35 -1.26 -4.40 119.36 108.56 2k1h n ILE 3 Ca -0.13 -0.39 0.00 0.00 -0.27 0.00 0.00 62.75 61.96 2k1h n ILE 3 Cb 0.58 -0.49 0.00 0.00 -1.74 0.00 0.00 39.64 37.99 2k1h n ILE 3 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 2k1h n ILE 4 N -2.54 0.00 -3.56 7.28 2.08 -1.21 -4.95 119.36 116.45 2k1h n ILE 4 Ca 0.07 0.00 -0.10 0.00 0.56 0.00 0.00 62.75 63.28 2k1h n ILE 4 Cb 0.51 -0.67 -0.04 0.00 -0.75 0.00 0.00 39.64 38.70 2k1h n ILE 4 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2k1h s ALA 5 N -1.78 -1.91 -0.25 -1.39 0.00 -1.08 -5.06 121.76 110.28 2k1h s ALA 5 Ca 0.00 1.44 -0.06 0.00 0.00 0.00 0.00 51.96 53.34 2k1h s ALA 5 Cb 0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 2k1h s ALA 5 CO 0.00 -0.43 0.04 0.96 0.00 0.00 0.00 175.76 176.33 2k1h s ILE 6 N -1.72 3.90 -0.38 0.00 -0.00 -1.26 -2.11 121.20 119.64 2k1h s ILE 6 Ca 0.01 -0.42 -0.17 0.00 -0.00 0.00 0.00 60.65 60.07 2k1h s ILE 6 Cb -0.01 -2.87 0.00 0.00 -0.00 0.00 0.00 42.46 39.59 2k1h s ILE 6 CO -0.01 0.29 0.44 -0.94 -0.00 0.00 0.00 174.94 174.72 2k1h s SER 7 N 1.54 6.22 -0.29 4.36 1.04 0.01 -5.00 113.70 121.59 2k1h s SER 7 Ca 0.05 -0.34 -0.29 0.00 0.48 0.00 0.00 55.95 55.85 2k1h s SER 7 Cb -0.15 -2.23 0.01 0.00 0.10 0.00 0.00 66.02 63.75 2k1h s SER 7 CO 0.01 -0.48 1.06 -1.61 0.98 0.00 0.00 173.24 173.20 2k1h s GLU 8 N 2.19 4.13 0.70 4.02 2.02 -1.26 -2.08 118.70 128.42 2k1h s GLU 8 Ca 0.14 1.17 -0.01 0.00 0.02 0.00 0.00 54.97 56.29 2k1h s GLU 8 Cb -0.16 -3.70 0.11 0.00 0.10 0.00 0.00 34.13 30.48 2k1h s GLU 8 CO 0.13 -0.80 0.97 0.95 0.02 0.00 0.00 175.26 176.53 2k1h s THR 9 N 3.48 2.21 -1.75 3.63 -4.23 -1.26 -4.93 115.64 112.79 2k1h s THR 9 Ca 0.45 -0.58 0.00 0.00 -1.18 0.00 0.00 61.69 60.38 2k1h s THR 9 Cb -0.13 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 71.07 2k1h s THR 9 CO 0.12 0.00 0.22 -2.65 -0.54 0.00 0.00 174.62 171.77 2k1h n PRO 10 N -2.79 0.25 -2.89 3.99 -0.02 -1.26 -4.71 135.00 127.58 2k1h n PRO 10 Ca 0.14 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.42 2k1h n PRO 10 Cb 0.60 -1.03 0.08 0.00 -0.02 0.00 0.00 33.50 33.13 2k1h n PRO 10 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2k1h n ASN 11 N -0.28 1.95 -0.00 2.55 3.02 -1.26 -5.09 115.26 116.14 2k1h n ASN 11 Ca 0.00 -2.45 -0.03 0.00 -0.03 0.00 0.00 54.58 52.07 2k1h n ASN 11 Cb 0.02 -0.47 -0.01 0.00 -0.61 0.00 0.00 39.78 38.70 2k1h n ASN 11 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2k1h n HIS 12 N -2.39 0.00 1.25 3.10 8.25 -1.26 -4.75 115.22 119.41 2k1h n HIS 12 Ca 0.16 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.75 2k1h n HIS 12 Cb 0.60 -0.17 0.39 0.00 1.12 0.00 0.00 29.99 31.92 2k1h n HIS 12 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2k1h n ASN 13 N -3.69 1.97 -4.30 0.41 2.04 -1.26 -4.84 115.26 105.59 2k1h n ASN 13 Ca -0.05 -1.68 -0.33 0.00 -0.44 0.00 0.00 54.58 52.08 2k1h n ASN 13 Cb 0.18 -0.04 -0.15 0.00 -2.53 0.00 0.00 39.78 37.23 2k1h n ASN 13 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 2k1h s THR 14 N -1.91 2.71 0.02 5.53 2.01 -1.26 -3.86 115.64 118.88 2k1h s THR 14 Ca 0.35 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 61.60 2k1h s THR 14 Cb 0.20 -2.12 -0.02 0.00 0.01 0.00 0.00 72.50 70.57 2k1h s THR 14 CO 0.31 0.53 -0.08 -0.04 -0.69 0.00 0.00 174.62 174.65 2k1h s MET 15 N 0.49 0.55 -0.18 4.92 -1.94 -1.26 -4.48 119.30 117.41 2k1h s MET 15 Ca -0.11 -0.55 -0.14 0.00 -1.71 0.00 0.00 55.69 53.18 2k1h s MET 15 Cb -0.16 -0.44 -0.04 0.00 2.01 0.00 0.00 34.83 36.20 2k1h s MET 15 CO 0.05 0.10 0.32 0.21 -0.01 0.00 0.00 175.02 175.69 2k1h s LYS 16 N -0.98 4.23 -0.42 2.03 2.20 -0.88 -4.16 119.74 121.77 2k1h s LYS 16 Ca -0.04 0.11 -0.10 0.00 -0.36 0.00 0.00 55.97 55.58 2k1h s LYS 16 Cb -0.07 -3.47 0.07 0.00 -1.51 0.00 0.00 37.83 32.86 2k1h s LYS 16 CO 0.00 0.14 0.26 0.08 -0.36 0.00 0.00 175.35 175.48 2k1h s VAL 17 N 0.75 4.40 -0.06 4.02 1.01 -1.19 -0.81 120.40 128.53 2k1h s VAL 17 Ca 0.17 -1.26 -0.19 0.00 0.00 0.00 0.00 61.98 60.70 2k1h s VAL 17 Cb -0.14 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 2k1h s VAL 17 CO 0.05 -0.46 0.53 -0.44 0.00 0.00 0.00 175.10 174.78 2k1h s SER 18 N 2.06 6.82 -0.02 3.32 0.01 -0.90 -3.13 113.70 121.87 2k1h s SER 18 Ca 0.03 0.98 -0.29 0.00 1.31 0.00 0.00 55.95 57.98 2k1h s SER 18 Cb -0.22 -2.32 0.09 0.00 0.21 0.00 0.00 66.02 63.77 2k1h s SER 18 CO 0.03 0.05 0.76 -1.48 0.41 0.00 0.00 173.24 173.01 2k1h s LEU 19 N 0.21 -0.54 -0.70 2.44 2.34 -1.10 -2.62 118.68 118.70 2k1h s LEU 19 Ca 0.28 0.40 -0.27 0.00 0.06 0.00 0.00 54.13 54.60 2k1h s LEU 19 Cb -0.16 2.34 0.02 0.00 -0.56 0.00 0.00 46.19 47.83 2k1h s LEU 19 CO 0.14 -0.64 1.42 -0.94 -1.06 0.00 0.00 176.35 175.27 2k1h s SER 20 N -1.70 5.96 -0.42 1.48 1.04 -1.26 -4.46 113.70 114.34 2k1h s SER 20 Ca -0.04 -0.23 0.07 0.00 0.48 0.00 0.00 55.95 56.23 2k1h s SER 20 Cb -0.00 -2.55 0.25 0.00 0.10 0.00 0.00 66.02 63.81 2k1h s SER 20 CO 0.01 -1.95 0.64 -0.62 0.98 0.00 0.00 173.24 172.29 2k1h n GLU 21 N 9.29 0.74 0.00 4.02 1.02 -1.26 -0.11 120.64 134.33 2k1h n GLU 21 Ca 0.07 -2.75 0.00 0.00 -0.02 0.00 0.00 57.16 54.46 2k1h n GLU 21 Cb 0.50 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 2k1h n GLU 21 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2k1h n PRO 22 N 1.47 0.00 -2.47 3.49 -0.02 -1.26 -4.29 135.00 131.92 2k1h n PRO 22 Ca 0.17 0.36 -0.01 0.00 -2.02 0.00 0.00 63.50 62.00 2k1h n PRO 22 Cb 0.56 -1.33 -0.01 0.00 -0.02 0.00 0.00 33.50 32.70 2k1h n PRO 22 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2k1h n ARG 23 N -1.57 -2.23 0.00 -0.52 1.74 -1.26 -4.32 116.66 108.50 2k1h n ARG 23 Ca 0.00 1.72 0.00 0.00 -0.77 0.00 0.00 57.85 58.80 2k1h n ARG 23 Cb 0.00 -2.24 0.00 0.00 -1.02 0.00 0.00 32.46 29.20 2k1h n ARG 23 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2k1h n GLN 24 N 2.07 0.00 -1.39 5.56 10.64 -1.26 -0.80 117.38 132.20 2k1h n GLN 24 Ca -0.07 0.10 -0.14 0.00 -1.83 0.00 0.00 57.00 55.06 2k1h n GLN 24 Cb 0.11 -1.51 0.10 0.00 -0.86 0.00 0.00 30.24 28.08 2k1h n GLN 24 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 2k1h n ASP 25 N -1.05 3.95 -0.31 2.61 5.75 -1.26 -4.85 116.55 121.39 2k1h n ASP 25 Ca 0.00 -3.80 -0.06 0.00 -0.01 0.00 0.00 54.79 50.92 2k1h n ASP 25 Cb 0.01 -0.50 -0.02 0.00 -1.03 0.00 0.00 41.12 39.58 2k1h n ASP 25 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2k1h h ASN 26 N 1.66 -1.61 -4.07 -1.12 7.08 -1.16 -3.47 115.58 112.88 2k1h h ASN 26 Ca 0.28 0.29 0.00 0.00 -3.08 0.00 0.00 56.30 53.78 2k1h h ASN 26 Cb 1.37 0.77 0.00 0.00 -2.08 0.00 0.00 38.32 38.38 2k1h h ASN 26 CO 0.59 -0.30 -0.75 -0.24 -2.08 0.00 0.00 177.43 174.65 2k1h n SER 27 N -5.40 -7.16 -4.70 6.14 2.88 -1.26 -4.67 113.62 99.45 2k1h n SER 27 Ca 0.05 1.32 -0.36 0.00 -1.33 0.00 0.00 58.87 58.55 2k1h n SER 27 Cb 0.35 -4.36 -0.08 0.00 -0.75 0.00 0.00 64.21 59.36 2k1h n SER 27 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2k1h s PHE 28 N -0.94 3.38 -0.20 0.66 -0.71 -1.25 -4.40 117.98 114.51 2k1h s PHE 28 Ca 0.00 0.32 -0.28 0.00 -1.04 0.00 0.00 56.93 55.93 2k1h s PHE 28 Cb 0.00 -2.23 0.11 0.00 -1.21 0.00 0.00 43.02 39.70 2k1h s PHE 28 CO 0.00 0.19 0.93 0.99 -1.34 0.00 0.00 175.22 175.99 2k1h s THR 29 N 0.67 0.00 -0.30 -4.49 2.01 -1.25 -5.01 115.64 107.27 2k1h s THR 29 Ca 0.09 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 61.99 2k1h s THR 29 Cb -0.12 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.37 2k1h s THR 29 CO 0.01 0.00 0.16 0.28 -0.69 0.00 0.00 174.62 174.38 2k1h s THR 30 N -0.49 4.77 0.23 -0.82 -1.32 -1.26 -3.31 115.64 113.45 2k1h s THR 30 Ca -0.01 -0.24 -0.00 0.00 -1.21 0.00 0.00 61.69 60.22 2k1h s THR 30 Cb -0.02 -3.37 -0.03 0.00 -1.51 0.00 0.00 72.50 67.56 2k1h s THR 30 CO -0.00 0.14 0.20 -0.72 -2.21 0.00 0.00 174.62 172.02 2k1h s TYR 31 N 1.66 1.21 -0.30 9.09 -0.85 -0.85 -4.87 117.35 122.44 2k1h s TYR 31 Ca 0.06 -1.38 -0.14 0.00 -0.52 0.00 0.00 57.07 55.08 2k1h s TYR 31 Cb -0.17 -0.52 0.18 0.00 0.38 0.00 0.00 41.96 41.83 2k1h s TYR 31 CO 0.07 -0.73 1.03 -0.08 -1.52 0.00 0.00 175.55 174.32 2k1h s THR 32 N -3.97 -0.39 0.00 -3.49 -1.32 -1.26 -1.89 115.64 103.32 2k1h s THR 32 Ca 0.38 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.86 2k1h s THR 32 Cb 0.05 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.04 2k1h s THR 32 CO 0.15 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.56 2k1h n ALA 33 N 5.18 0.00 -2.71 11.08 0.00 -1.26 -5.06 120.51 127.74 2k1h n ALA 33 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.97 2k1h n ALA 33 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.94 2k1h n ALA 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k1h s ALA 34 N -0.59 3.35 0.10 0.00 0.00 -1.26 -4.55 121.76 118.81 2k1h s ALA 34 Ca 0.00 0.14 -0.26 0.00 0.00 0.00 0.00 51.96 51.85 2k1h s ALA 34 Cb 0.00 -3.02 0.08 0.00 0.00 0.00 0.00 23.12 20.18 2k1h s ALA 34 CO 0.00 -0.19 0.81 1.14 0.00 0.00 0.00 175.76 177.52 2k1h s GLN 35 N 1.00 1.11 0.25 0.00 -2.07 -1.26 -5.05 119.66 113.64 2k1h s GLN 35 Ca 0.38 -0.48 -0.23 0.00 -1.82 0.00 0.00 55.36 53.21 2k1h s GLN 35 Cb -0.18 0.46 -0.09 0.00 -1.09 0.00 0.00 33.01 32.12 2k1h s GLN 35 CO 0.18 -0.49 0.82 -2.00 -1.32 0.00 0.00 175.29 172.48 2k1h s GLU 36 N -3.40 4.44 0.00 9.60 2.12 -1.26 -3.77 118.70 126.43 2k1h s GLU 36 Ca 0.06 1.10 0.00 0.00 0.36 0.00 0.00 54.97 56.49 2k1h s GLU 36 Cb -0.02 -2.92 0.00 0.00 0.26 0.00 0.00 34.13 31.45 2k1h s GLU 36 CO -0.06 0.38 0.00 0.41 -0.54 0.00 0.00 175.26 175.45 2k1h n GLY 37 N 0.82 3.07 3.88 -1.50 0.00 -1.26 -5.05 105.19 105.16 2k1h n GLY 37 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 2k1h n GLY 37 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k1h s GLN 38 N -0.16 3.70 0.04 1.61 -0.21 -1.25 -5.02 119.66 118.37 2k1h s GLN 38 Ca 0.00 0.08 -0.38 0.00 0.02 0.00 0.00 55.36 55.08 2k1h s GLN 38 Cb 0.00 -2.94 -0.19 0.00 1.00 0.00 0.00 33.01 30.88 2k1h s GLN 38 CO 0.00 0.53 1.08 -2.30 -2.12 0.00 0.00 175.29 172.47 2k1h n PRO 39 N 0.62 0.24 0.25 2.91 -0.02 -1.26 -4.82 135.00 132.93 2k1h n PRO 39 Ca -0.06 0.09 0.11 0.00 -2.02 0.00 0.00 63.50 61.62 2k1h n PRO 39 Cb 0.52 -1.57 0.67 0.00 -0.02 0.00 0.00 33.50 33.10 2k1h n PRO 39 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2k1h h GLU 40 N 3.12 0.00 0.00 -0.52 4.39 -1.95 -2.53 114.58 117.09 2k1h h GLU 40 Ca -0.48 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.22 2k1h h GLU 40 Cb 1.41 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.06 2k1h h GLU 40 CO 0.67 0.14 0.01 1.19 -1.16 0.00 0.00 179.01 179.86 2k1h n PHE 41 N -3.76 0.00 -0.03 4.33 3.72 -1.26 -1.28 117.46 119.18 2k1h n PHE 41 Ca -0.02 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.34 2k1h n PHE 41 Cb 0.25 -0.08 -0.04 0.00 -0.94 0.00 0.00 39.48 38.68 2k1h n PHE 41 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2k1h n ILE 42 N -1.03 0.39 -0.30 4.37 2.08 -0.95 -4.59 119.36 119.33 2k1h n ILE 42 Ca 0.00 -0.20 -0.06 0.00 0.56 0.00 0.00 62.75 63.06 2k1h n ILE 42 Cb 0.01 -0.81 0.07 0.00 -0.75 0.00 0.00 39.64 38.16 2k1h n ILE 42 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 2k1h h ASN 43 N 0.00 1.11 -0.60 4.38 2.35 -1.28 -2.52 115.58 119.02 2k1h h ASN 43 Ca -0.15 -0.17 0.03 0.00 -0.55 0.00 0.00 56.30 55.46 2k1h h ASN 43 Cb 1.30 -0.29 -0.04 0.00 0.05 0.00 0.00 38.32 39.34 2k1h h ASN 43 CO -0.01 0.97 0.36 0.03 -1.65 0.00 0.00 177.43 177.13 2k1h h ARG 44 N 1.18 0.67 -0.74 0.81 3.08 -1.79 -2.26 114.38 115.33 2k1h h ARG 44 Ca 0.27 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.24 2k1h h ARG 44 Cb 0.20 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 2k1h h ARG 44 CO -0.02 0.44 0.30 -0.07 -1.07 0.00 0.00 179.97 179.55 2k1h h LEU 45 N 0.69 1.01 -0.24 3.04 4.07 -1.74 -1.32 115.31 120.83 2k1h h LEU 45 Ca 0.25 -0.17 0.00 0.00 0.08 0.00 0.00 57.88 58.04 2k1h h LEU 45 Cb 0.06 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.54 2k1h h LEU 45 CO -0.12 0.91 0.00 0.33 -1.08 0.00 0.00 178.44 178.48 2k1h n PHE 46 N -4.34 0.00 -0.00 1.13 7.35 -0.88 -3.09 117.46 117.62 2k1h n PHE 46 Ca 0.06 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.67 2k1h n PHE 46 Cb 0.18 -0.02 -0.13 0.00 0.35 0.00 0.00 39.48 39.85 2k1h n PHE 46 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 2k1h h GLU 47 N 0.02 0.00 -6.47 -4.13 4.57 -0.87 -3.45 114.58 104.26 2k1h h GLU 47 Ca 0.00 0.00 -0.69 0.00 -1.18 0.00 0.00 59.36 57.49 2k1h h GLU 47 Cb 0.11 0.00 -0.26 0.00 -0.16 0.00 0.00 28.75 28.44 2k1h h GLU 47 CO 0.00 0.56 -0.82 0.96 -1.18 0.00 0.00 179.01 178.53 2k1h s ILE 48 N -2.63 2.63 0.38 2.32 -5.25 -1.18 -5.11 121.20 112.35 2k1h s ILE 48 Ca -0.04 -0.93 -0.27 0.00 -0.99 0.00 0.00 60.65 58.43 2k1h s ILE 48 Cb 0.08 -2.00 -0.09 0.00 2.95 0.00 0.00 42.46 43.41 2k1h s ILE 48 CO 0.82 0.56 1.27 -1.83 -1.79 0.00 0.00 174.94 173.97 2k1h s GLU 49 N -0.76 4.12 0.00 0.37 -1.05 -1.26 -4.11 118.70 116.00 2k1h s GLU 49 Ca 0.11 2.09 0.00 0.00 -0.15 0.00 0.00 54.97 57.02 2k1h s GLU 49 Cb -0.10 -2.85 0.00 0.00 -0.44 0.00 0.00 34.13 30.74 2k1h s GLU 49 CO 0.00 -0.34 0.00 0.41 0.95 0.00 0.00 175.26 176.28 2k1h n GLY 50 N 0.72 4.54 3.68 -3.83 0.00 -1.26 -4.66 105.19 104.39 2k1h n GLY 50 Ca 0.03 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 2k1h n GLY 50 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2k1h s VAL 51 N -0.00 3.19 -0.20 1.61 -7.23 -1.26 -0.91 120.40 115.60 2k1h s VAL 51 Ca 0.00 0.58 -0.08 0.00 -1.81 0.00 0.00 61.98 60.67 2k1h s VAL 51 Cb 0.00 -3.37 -0.20 0.00 0.56 0.00 0.00 36.38 33.37 2k1h s VAL 51 CO 0.00 -0.01 0.04 1.17 -0.31 0.00 0.00 175.10 176.00 2k1h n LYS 52 N 5.81 0.67 -3.49 4.82 4.81 0.24 -4.97 118.16 126.05 2k1h n LYS 52 Ca 0.16 0.28 -0.14 0.00 -0.87 0.00 0.00 58.31 57.74 2k1h n LYS 52 Cb 0.41 -1.62 -0.04 0.00 0.02 0.00 0.00 35.03 33.80 2k1h n LYS 52 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2k1h s SER 53 N -6.92 -0.54 -0.10 3.14 1.04 -1.25 -4.93 113.70 104.14 2k1h s SER 53 Ca -0.30 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.31 2k1h s SER 53 Cb 0.09 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.78 2k1h s SER 53 CO 0.64 -0.84 -0.09 -0.63 0.98 0.00 0.00 173.24 173.31 2k1h s ILE 54 N -2.94 1.07 -0.12 -1.02 1.01 -0.79 -2.94 121.20 115.47 2k1h s ILE 54 Ca -0.03 -0.36 -0.06 0.00 0.00 0.00 0.00 60.65 60.20 2k1h s ILE 54 Cb -0.01 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 2k1h s ILE 54 CO -0.06 0.36 0.11 -0.36 0.00 0.00 0.00 174.94 174.99 2k1h s PHE 55 N 1.35 3.48 -0.20 3.97 0.40 -1.14 -2.00 117.98 123.83 2k1h s PHE 55 Ca -0.02 0.43 0.00 0.00 -0.60 0.00 0.00 56.93 56.74 2k1h s PHE 55 Cb -0.14 -1.93 0.05 0.00 0.51 0.00 0.00 43.02 41.52 2k1h s PHE 55 CO -0.04 0.63 -0.06 -0.47 0.70 0.00 0.00 175.22 175.98 2k1h s TYR 56 N -0.86 2.12 -0.04 0.36 5.04 -1.21 -3.78 117.35 118.98 2k1h s TYR 56 Ca 0.14 -1.47 -0.29 0.00 -2.44 0.00 0.00 57.07 53.01 2k1h s TYR 56 Cb -0.12 -1.49 0.10 0.00 0.35 0.00 0.00 41.96 40.81 2k1h s TYR 56 CO 0.03 -0.71 0.86 0.54 -1.34 0.00 0.00 175.55 174.93 2k1h s VAL 57 N 1.49 0.00 0.00 3.14 0.11 -1.25 -3.79 120.40 120.10 2k1h s VAL 57 Ca -0.02 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.03 2k1h s VAL 57 Cb -0.17 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.68 2k1h s VAL 57 CO -0.07 0.00 0.00 0.18 -3.33 0.00 0.00 175.10 171.88 2k1h n LEU 58 N 0.22 0.00 -0.68 2.54 4.77 -1.26 -3.17 117.00 119.42 2k1h n LEU 58 Ca -0.11 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.90 2k1h n LEU 58 Cb 0.60 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.83 2k1h n LEU 58 CO 0.14 -0.60 0.57 0.47 -1.33 0.00 0.00 177.39 176.64 2k1h n ASP 59 N -3.26 1.92 -3.80 -1.43 8.00 -1.26 -4.73 116.55 111.99 2k1h n ASP 59 Ca 0.00 -2.11 -0.10 0.00 0.71 0.00 0.00 54.79 53.29 2k1h n ASP 59 Cb 0.00 -0.31 -0.07 0.00 -0.02 0.00 0.00 41.12 40.72 2k1h n ASP 59 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2k1h s PHE 60 N -1.64 0.02 0.19 1.24 -0.12 -1.19 -2.71 117.98 113.78 2k1h s PHE 60 Ca 0.20 -0.32 0.02 0.00 -0.05 0.00 0.00 56.93 56.77 2k1h s PHE 60 Cb 0.12 0.02 -0.05 0.00 -0.63 0.00 0.00 43.02 42.48 2k1h s PHE 60 CO 0.11 -0.53 0.00 0.96 -0.05 0.00 0.00 175.22 175.71 2k1h s ILE 61 N -3.25 0.76 -0.02 -4.49 -4.36 -1.18 -3.96 121.20 104.69 2k1h s ILE 61 Ca 0.00 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.41 2k1h s ILE 61 Cb 0.02 -2.19 0.01 0.00 1.25 0.00 0.00 42.46 41.55 2k1h s ILE 61 CO -0.08 -0.42 -0.05 -0.94 0.24 0.00 0.00 174.94 173.69 2k1h s SER 62 N -3.21 0.80 -0.10 4.36 1.04 -1.25 -3.15 113.70 112.19 2k1h s SER 62 Ca 0.26 -0.11 0.03 0.00 0.48 0.00 0.00 55.95 56.61 2k1h s SER 62 Cb 0.06 -0.27 -0.01 0.00 0.10 0.00 0.00 66.02 65.91 2k1h s SER 62 CO 0.05 0.00 -0.22 -0.63 0.98 0.00 0.00 173.24 173.43 2k1h s ILE 63 N 0.45 2.29 -0.50 -1.02 1.09 -1.26 -2.89 121.20 119.36 2k1h s ILE 63 Ca -0.06 -0.95 -0.15 0.00 -1.10 0.00 0.00 60.65 58.39 2k1h s ILE 63 Cb -0.09 -1.89 0.10 0.00 -1.06 0.00 0.00 42.46 39.52 2k1h s ILE 63 CO -0.00 0.56 0.43 -0.62 -0.10 0.00 0.00 174.94 175.21 2k1h s ASP 64 N 0.23 6.15 -0.03 3.58 2.15 -1.15 -4.35 116.67 123.25 2k1h s ASP 64 Ca -0.14 -1.53 0.02 0.00 0.43 0.00 0.00 52.55 51.34 2k1h s ASP 64 Cb -0.17 -2.19 -0.03 0.00 -0.30 0.00 0.00 42.92 40.23 2k1h s ASP 64 CO 0.07 -0.73 -0.07 -0.54 -0.17 0.00 0.00 175.17 173.73 2k1h s LYS 65 N 1.62 2.62 1.22 4.34 1.02 -1.25 -0.60 119.74 128.71 2k1h s LYS 65 Ca 0.04 -0.65 -0.16 0.00 0.02 0.00 0.00 55.97 55.21 2k1h s LYS 65 Cb -0.27 -2.53 0.29 0.00 -0.52 0.00 0.00 37.83 34.81 2k1h s LYS 65 CO 0.05 0.63 1.02 -1.21 -0.92 0.00 0.00 175.35 174.92 2k1h s GLU 66 N -1.13 -1.32 0.22 1.68 8.01 -0.08 -4.71 118.70 121.38 2k1h s GLU 66 Ca 0.15 0.46 0.22 0.00 0.01 0.00 0.00 54.97 55.81 2k1h s GLU 66 Cb -0.11 -1.54 0.93 0.00 -4.31 0.00 0.00 34.13 29.11 2k1h s GLU 66 CO 0.05 -3.89 1.68 -0.40 0.01 0.00 0.00 175.26 172.71 2k1h n ASP 67 N -4.98 0.59 -0.64 -0.19 5.75 -1.26 -2.17 116.55 113.64 2k1h n ASP 67 Ca 0.07 0.64 0.06 0.00 -0.01 0.00 0.00 54.79 55.55 2k1h n ASP 67 Cb 0.57 -0.77 0.18 0.00 -1.03 0.00 0.00 41.12 40.07 2k1h n ASP 67 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2k1h n ASN 68 N -2.14 1.87 -4.86 -1.12 3.02 -1.26 -4.87 115.26 105.90 2k1h n ASN 68 Ca 0.02 -1.97 -0.30 0.00 -0.03 0.00 0.00 54.58 52.30 2k1h n ASN 68 Cb 0.23 -0.23 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 2k1h n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k1h s ALA 69 N -1.55 3.81 -0.08 5.41 0.00 -0.92 -4.92 121.76 123.51 2k1h s ALA 69 Ca 0.24 -0.94 -0.03 0.00 0.00 0.00 0.00 51.96 51.23 2k1h s ALA 69 Cb 0.13 -1.64 0.04 0.00 0.00 0.00 0.00 23.12 21.65 2k1h s ALA 69 CO 0.17 0.76 0.16 0.54 0.00 0.00 0.00 175.76 177.39 2k1h s ASN 70 N -2.55 0.11 0.60 0.00 6.03 -1.26 -4.90 114.94 112.97 2k1h s ASN 70 Ca 0.32 0.34 0.39 0.00 -1.03 0.00 0.00 52.86 52.88 2k1h s ASN 70 Cb -0.12 0.25 1.92 0.00 -3.03 0.00 0.00 41.25 40.26 2k1h s ASN 70 CO 0.25 -0.18 2.17 -0.50 -2.03 0.00 0.00 177.10 176.82 2k1h h TRP 71 N 7.56 0.00 0.00 1.54 4.06 -1.96 -2.53 115.95 124.63 2k1h h TRP 71 Ca -0.34 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.61 2k1h h TRP 71 Cb 1.13 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.29 2k1h h TRP 71 CO 0.42 0.00 0.29 -2.95 -3.56 0.00 0.00 178.44 172.64 2k1h h ASN 72 N 0.00 0.00 0.16 -3.49 -0.00 -2.01 0.14 115.58 110.38 2k1h h ASN 72 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 56.30 55.95 2k1h h ASN 72 Cb 0.22 0.00 -0.06 0.00 -0.00 0.00 0.00 38.32 38.48 2k1h h ASN 72 CO 0.00 0.00 -2.16 -0.62 -0.00 0.00 0.00 177.43 174.65 2k1h n GLU 73 N -2.87 0.68 -0.12 4.14 -0.58 -0.95 -4.37 120.64 116.56 2k1h n GLU 73 Ca -0.02 0.15 -0.12 0.00 -0.42 0.00 0.00 57.16 56.74 2k1h n GLU 73 Cb 0.34 -1.62 -0.03 0.00 -0.57 0.00 0.00 31.44 29.55 2k1h n GLU 73 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2k1h h LEU 74 N 0.01 0.81 -0.45 -4.62 4.07 -0.90 -2.78 115.31 111.46 2k1h h LEU 74 Ca -0.46 -0.43 0.05 0.00 0.08 0.00 0.00 57.88 57.11 2k1h h LEU 74 Cb 2.09 -0.23 -0.08 0.00 1.08 0.00 0.00 40.66 43.52 2k1h h LEU 74 CO 0.03 1.07 -0.47 -0.07 -1.08 0.00 0.00 178.44 177.92 2k1h h LEU 75 N 0.56 -1.62 -1.42 1.67 4.07 -1.34 1.06 115.31 118.30 2k1h h LEU 75 Ca 0.07 0.22 -0.06 0.00 0.08 0.00 0.00 57.88 58.19 2k1h h LEU 75 Cb 0.80 0.67 -0.01 0.00 1.08 0.00 0.00 40.66 43.20 2k1h h LEU 75 CO 0.06 -0.31 -0.29 1.55 -1.08 0.00 0.00 178.44 178.38 2k1h h PRO 76 N -0.26 0.00 0.03 1.13 0.13 -1.78 -2.37 132.00 128.87 2k1h h PRO 76 Ca 0.08 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2k1h h PRO 76 Cb 0.47 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.60 2k1h h PRO 76 CO -0.56 0.29 -0.01 0.37 -0.23 0.00 0.00 178.00 177.85 2k1h h GLN 77 N 0.00 -0.04 -0.71 0.86 4.15 -0.63 -3.32 115.11 115.43 2k1h h GLN 77 Ca -0.00 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.35 2k1h h GLN 77 Cb 0.56 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.23 2k1h h GLN 77 CO 0.04 0.65 0.19 -0.84 -1.93 0.00 0.00 178.83 176.94 2k1h h ILE 78 N -0.84 1.26 -0.79 2.39 -0.00 0.10 -2.37 117.51 117.27 2k1h h ILE 78 Ca -0.00 -0.95 0.23 0.00 -0.00 0.00 0.00 64.86 64.14 2k1h h ILE 78 Cb 0.71 0.53 -0.03 0.00 -0.00 0.00 0.00 36.82 38.03 2k1h h ILE 78 CO 0.01 0.37 0.68 -0.08 -0.00 0.00 0.00 178.15 179.12 2k1h h GLU 79 N 1.06 0.00 -0.36 0.16 4.81 -1.54 0.20 114.58 118.91 2k1h h GLU 79 Ca 0.22 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 2k1h h GLU 79 Cb 0.35 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 2k1h h GLU 79 CO -0.00 0.00 0.18 -0.97 -0.73 0.00 0.00 179.01 177.48 2k1h h ASN 80 N 0.00 0.47 0.15 1.04 -0.73 -1.51 0.76 115.58 115.75 2k1h h ASN 80 Ca 0.37 -0.12 -0.01 0.00 1.87 0.00 0.00 56.30 58.41 2k1h h ASN 80 Cb 1.72 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 40.19 2k1h h ASN 80 CO -0.00 0.46 -0.07 0.74 -0.37 0.00 0.00 177.43 178.19 2k1h h THR 81 N 0.45 0.96 -0.18 -3.57 2.02 -0.75 0.54 112.91 112.38 2k1h h THR 81 Ca 0.12 -0.50 0.01 0.00 0.77 0.00 0.00 66.41 66.81 2k1h h THR 81 Cb 0.11 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 2k1h h THR 81 CO -0.02 0.12 0.11 0.15 0.37 0.00 0.00 175.52 176.25 2k1h h PHE 82 N -0.44 0.20 -0.41 3.16 3.04 -1.43 0.52 116.94 121.59 2k1h h PHE 82 Ca -0.02 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 2k1h h PHE 82 Cb 0.35 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.77 2k1h h PHE 82 CO 0.01 0.13 0.22 0.00 -2.02 0.00 0.00 178.31 176.64 2k1h h ALA 83 N 1.08 0.52 0.00 2.41 0.00 0.62 -0.87 119.26 123.01 2k1h h ALA 83 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2k1h h ALA 83 Cb -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2k1h h ALA 83 CO -0.03 0.05 0.00 1.17 0.00 0.00 0.00 179.25 180.44 2k1h n LYS 84 N -4.72 0.12 -0.18 0.00 4.81 0.19 -3.04 118.16 115.35 2k1h n LYS 84 Ca 0.00 0.18 -0.07 0.00 -0.87 0.00 0.00 58.31 57.55 2k1h n LYS 84 Cb 0.09 -1.50 0.02 0.00 0.02 0.00 0.00 35.03 33.66 2k1h n LYS 84 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2k1h h SER 85 N 0.00 0.62 0.00 3.14 4.64 0.60 -3.50 113.55 119.06 2k1h h SER 85 Ca 0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2k1h h SER 85 Cb 0.20 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2k1h h SER 85 CO 0.00 0.49 0.00 0.59 -0.87 0.00 0.00 176.83 177.04