#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 0.48 0.00 0.03 -1.05 -1.26 -5.01 118.70 111.89 2k1h s GLU 2 Ca 0.00 0.43 -0.31 0.00 -0.15 0.00 0.00 54.97 54.94 2k1h s GLU 2 Cb 0.00 0.23 -0.10 0.00 -0.44 0.00 0.00 34.13 33.82 2k1h s GLU 2 CO 0.00 -0.07 1.95 -0.89 0.95 0.00 0.00 175.26 177.20 2k1h n ILE 3 N 2.65 0.73 -0.02 1.83 5.41 -1.26 -4.65 119.36 124.05 2k1h n ILE 3 Ca -0.14 -0.13 -0.16 0.00 1.00 0.00 0.00 62.75 63.32 2k1h n ILE 3 Cb 0.57 -2.21 -0.11 0.00 -0.71 0.00 0.00 39.64 37.19 2k1h n ILE 3 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2k1h h ILE 4 N 5.60 1.47 -2.53 1.39 5.03 -1.93 -3.49 117.51 123.04 2k1h h ILE 4 Ca -0.50 -1.95 0.17 0.00 -0.12 0.00 0.00 64.86 62.47 2k1h h ILE 4 Cb 1.25 2.59 -0.03 0.00 -3.03 0.00 0.00 36.82 37.60 2k1h h ILE 4 CO 0.94 0.55 0.60 0.00 -0.68 0.00 0.00 178.15 179.57 2k1h s ALA 5 N -3.28 -1.63 -0.07 1.87 0.00 -1.15 -5.07 121.76 112.43 2k1h s ALA 5 Ca -0.14 -0.33 0.02 0.00 0.00 0.00 0.00 51.96 51.50 2k1h s ALA 5 Cb 0.03 0.77 0.02 0.00 0.00 0.00 0.00 23.12 23.94 2k1h s ALA 5 CO 0.78 -1.07 -0.10 0.42 0.00 0.00 0.00 175.76 175.79 2k1h s ILE 6 N -2.15 0.99 -0.38 0.00 1.01 -1.26 -3.17 121.20 116.25 2k1h s ILE 6 Ca 0.22 -0.38 -0.17 0.00 0.00 0.00 0.00 60.65 60.32 2k1h s ILE 6 Cb -0.03 -0.94 0.00 0.00 0.01 0.00 0.00 42.46 41.51 2k1h s ILE 6 CO 0.05 0.33 0.47 -0.55 0.00 0.00 0.00 174.94 175.24 2k1h s SER 7 N 0.86 6.25 -0.69 3.58 0.15 -0.25 -5.00 113.70 118.60 2k1h s SER 7 Ca -0.11 -0.29 -0.26 0.00 0.70 0.00 0.00 55.95 55.99 2k1h s SER 7 Cb -0.15 -2.24 0.04 0.00 -1.71 0.00 0.00 66.02 61.96 2k1h s SER 7 CO 0.01 -0.51 1.17 -1.61 1.20 0.00 0.00 173.24 173.50 2k1h s GLU 8 N 2.28 3.21 0.54 5.44 2.02 -1.26 -3.18 118.70 127.74 2k1h s GLU 8 Ca 0.16 -0.35 -0.09 0.00 0.02 0.00 0.00 54.97 54.70 2k1h s GLU 8 Cb -0.16 -4.17 -0.04 0.00 0.10 0.00 0.00 34.13 29.86 2k1h s GLU 8 CO 0.14 -1.98 0.90 -0.08 0.02 0.00 0.00 175.26 174.26 2k1h s THR 9 N 5.11 4.79 -0.05 3.63 -1.32 -1.26 -4.91 115.64 121.63 2k1h s THR 9 Ca 0.32 0.60 0.00 0.00 -1.21 0.00 0.00 61.69 61.40 2k1h s THR 9 Cb -0.11 -3.85 0.00 0.00 -1.51 0.00 0.00 72.50 67.04 2k1h s THR 9 CO 0.15 -0.94 0.27 -0.81 -2.21 0.00 0.00 174.62 171.08 2k1h n PRO 10 N -2.34 0.28 -0.73 7.08 -0.04 -1.26 -4.72 135.00 133.27 2k1h n PRO 10 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2k1h n PRO 10 Cb 0.54 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 2k1h n PRO 10 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2k1h n ASN 11 N 0.83 0.00 -0.02 3.54 5.03 -1.26 -5.09 115.26 118.29 2k1h n ASN 11 Ca 0.00 -0.87 -0.04 0.00 0.87 0.00 0.00 54.58 54.54 2k1h n ASN 11 Cb 0.14 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 38.88 2k1h n ASN 11 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 2k1h n HIS 12 N -1.01 0.00 0.05 3.10 -0.00 -1.26 -4.84 115.22 111.26 2k1h n HIS 12 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.74 2k1h n HIS 12 Cb 0.00 -0.23 0.03 0.00 -0.00 0.00 0.00 29.99 29.79 2k1h n HIS 12 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 2k1h n ASN 13 N -3.94 1.83 -4.51 0.26 0.23 -1.26 -4.99 115.26 102.88 2k1h n ASN 13 Ca -0.07 -1.59 -0.34 0.00 -0.53 0.00 0.00 54.58 52.05 2k1h n ASN 13 Cb 0.24 -0.04 -0.12 0.00 -2.08 0.00 0.00 39.78 37.79 2k1h n ASN 13 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2k1h s THR 14 N -0.67 4.13 0.01 5.53 2.01 -1.26 -3.92 115.64 121.48 2k1h s THR 14 Ca 0.06 -0.26 -0.04 0.00 0.31 0.00 0.00 61.69 61.77 2k1h s THR 14 Cb 0.04 -2.85 -0.01 0.00 0.01 0.00 0.00 72.50 69.69 2k1h s THR 14 CO 0.05 0.45 0.05 -0.04 -0.69 0.00 0.00 174.62 174.45 2k1h s MET 15 N 0.66 0.41 -0.16 4.92 -1.94 -1.26 -4.55 119.30 117.38 2k1h s MET 15 Ca -0.00 -0.54 -0.05 0.00 -1.71 0.00 0.00 55.69 53.38 2k1h s MET 15 Cb -0.14 0.16 -0.03 0.00 2.01 0.00 0.00 34.83 36.83 2k1h s MET 15 CO 0.02 -0.09 0.02 0.21 -0.01 0.00 0.00 175.02 175.17 2k1h s LYS 16 N -1.55 3.76 -0.31 2.03 2.20 -1.19 -4.11 119.74 120.56 2k1h s LYS 16 Ca -0.14 -0.42 -0.08 0.00 -0.36 0.00 0.00 55.97 54.97 2k1h s LYS 16 Cb -0.08 -3.05 0.01 0.00 -1.51 0.00 0.00 37.83 33.20 2k1h s LYS 16 CO -0.00 0.31 0.11 0.08 -0.36 0.00 0.00 175.35 175.49 2k1h s VAL 17 N 0.23 4.11 -0.14 4.02 1.01 -1.15 -1.09 120.40 127.39 2k1h s VAL 17 Ca 0.01 -0.73 -0.18 0.00 0.00 0.00 0.00 61.98 61.08 2k1h s VAL 17 Cb -0.13 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 2k1h s VAL 17 CO 0.01 0.00 0.48 -0.44 0.00 0.00 0.00 175.10 175.15 2k1h s SER 18 N 1.51 6.63 -0.07 3.32 0.01 -1.19 -3.22 113.70 120.69 2k1h s SER 18 Ca 0.02 0.75 -0.31 0.00 1.31 0.00 0.00 55.95 57.73 2k1h s SER 18 Cb -0.18 -2.28 0.08 0.00 0.21 0.00 0.00 66.02 63.86 2k1h s SER 18 CO 0.04 -0.04 0.75 -1.48 0.41 0.00 0.00 173.24 172.92 2k1h s LEU 19 N 0.89 -0.59 -1.25 2.44 2.34 -1.11 -2.93 118.68 118.48 2k1h s LEU 19 Ca 0.25 0.64 -0.14 0.00 0.06 0.00 0.00 54.13 54.94 2k1h s LEU 19 Cb -0.15 2.38 0.15 0.00 -0.56 0.00 0.00 46.19 48.01 2k1h s LEU 19 CO 0.10 -0.55 1.57 -0.24 -1.06 0.00 0.00 176.35 176.17 2k1h n SER 20 N 0.86 5.11 -4.83 1.48 2.88 -1.26 -4.38 113.62 113.48 2k1h n SER 20 Ca -0.17 -2.97 -0.32 0.00 -1.33 0.00 0.00 58.87 54.08 2k1h n SER 20 Cb 0.57 -1.60 0.00 0.00 -0.75 0.00 0.00 64.21 62.43 2k1h n SER 20 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2k1h s GLU 21 N 2.08 3.52 0.40 -1.46 2.02 -1.26 -3.87 118.70 120.12 2k1h s GLU 21 Ca 0.45 1.01 -0.27 0.00 0.02 0.00 0.00 54.97 56.18 2k1h s GLU 21 Cb 0.00 -2.07 -0.09 0.00 0.10 0.00 0.00 34.13 32.07 2k1h s GLU 21 CO 0.02 -0.63 1.38 -1.25 0.02 0.00 0.00 175.26 174.80 2k1h s PRO 22 N -4.39 4.01 -0.04 0.39 0.04 -1.26 -4.82 135.00 128.92 2k1h s PRO 22 Ca 0.60 2.33 0.13 0.00 0.04 0.00 0.00 61.00 64.10 2k1h s PRO 22 Cb -0.13 -2.84 0.46 0.00 0.04 0.00 0.00 34.50 32.03 2k1h s PRO 22 CO 0.40 -0.53 1.34 0.54 0.04 0.00 0.00 177.00 178.80 2k1h n ARG 23 N 0.25 2.50 0.03 4.56 3.00 -1.26 -4.35 116.66 121.39 2k1h n ARG 23 Ca 0.03 -1.82 -0.11 0.00 -0.01 0.00 0.00 57.85 55.94 2k1h n ARG 23 Cb 0.42 -1.54 -0.05 0.00 0.00 0.00 0.00 32.46 31.29 2k1h n ARG 23 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 2k1h h GLN 24 N 2.77 -0.13 -2.02 5.56 5.75 -2.02 -3.34 115.11 121.69 2k1h h GLN 24 Ca 0.00 0.01 -0.49 0.00 -0.15 0.00 0.00 58.65 58.02 2k1h h GLN 24 Cb 0.86 0.03 -0.40 0.00 1.07 0.00 0.00 27.48 29.04 2k1h h GLN 24 CO 0.09 -0.08 -1.16 -0.25 -2.65 0.00 0.00 178.83 174.77 2k1h n ASP 25 N -5.21 0.98 -1.99 -0.69 8.00 -1.26 -4.97 116.55 111.41 2k1h n ASP 25 Ca -0.05 -3.02 -0.04 0.00 0.71 0.00 0.00 54.79 52.39 2k1h n ASP 25 Cb 0.14 -0.62 -0.06 0.00 -0.02 0.00 0.00 41.12 40.56 2k1h n ASP 25 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2k1h n ASN 26 N 0.34 3.17 -4.91 -2.24 0.23 -1.26 -4.84 115.26 105.75 2k1h n ASN 26 Ca 0.25 -1.98 -0.28 0.00 -0.53 0.00 0.00 54.58 52.04 2k1h n ASN 26 Cb 0.64 -0.78 0.05 0.00 -2.08 0.00 0.00 39.78 37.61 2k1h n ASN 26 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2k1h s SER 27 N 2.23 5.25 -0.18 0.53 0.15 -1.26 -3.87 113.70 116.55 2k1h s SER 27 Ca 0.23 0.81 -0.08 0.00 0.70 0.00 0.00 55.95 57.61 2k1h s SER 27 Cb 0.11 -1.61 -0.04 0.00 -1.71 0.00 0.00 66.02 62.77 2k1h s SER 27 CO 0.00 -1.37 0.10 0.72 1.20 0.00 0.00 173.24 173.89 2k1h s PHE 28 N -3.24 3.36 -0.30 3.44 -0.71 -1.26 -4.27 117.98 115.00 2k1h s PHE 28 Ca 0.58 0.24 -0.03 0.00 -1.04 0.00 0.00 56.93 56.68 2k1h s PHE 28 Cb -0.11 -2.09 0.17 0.00 -1.21 0.00 0.00 43.02 39.79 2k1h s PHE 28 CO 0.48 0.29 0.60 0.99 -1.34 0.00 0.00 175.22 176.24 2k1h s THR 29 N 0.16 -0.98 -0.22 -4.49 2.01 -1.25 -5.06 115.64 105.81 2k1h s THR 29 Ca 0.07 -0.00 -0.16 0.00 0.31 0.00 0.00 61.69 61.91 2k1h s THR 29 Cb -0.12 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.37 2k1h s THR 29 CO -0.00 -0.00 0.39 -0.89 -0.69 0.00 0.00 174.62 173.42 2k1h s THR 30 N 2.85 5.19 0.21 -0.82 2.01 -1.26 -4.23 115.64 119.59 2k1h s THR 30 Ca 0.15 0.67 -0.01 0.00 0.31 0.00 0.00 61.69 62.80 2k1h s THR 30 Cb -0.14 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 2k1h s THR 30 CO -0.20 0.22 0.16 -0.72 -0.69 0.00 0.00 174.62 173.39 2k1h s TYR 31 N 1.52 1.15 -0.30 4.92 -0.85 -1.23 -4.96 117.35 117.60 2k1h s TYR 31 Ca 0.18 -1.36 -0.12 0.00 -0.52 0.00 0.00 57.07 55.24 2k1h s TYR 31 Cb -0.15 -0.52 0.18 0.00 0.38 0.00 0.00 41.96 41.84 2k1h s TYR 31 CO 0.08 -0.68 0.99 -0.08 -1.52 0.00 0.00 175.55 174.35 2k1h s THR 32 N -4.10 -0.44 0.00 -3.49 -1.32 -1.26 -2.88 115.64 102.14 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 0.06 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.05 2k1h s THR 32 CO 0.13 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.54 2k1h n ALA 33 N 5.30 0.00 -2.61 11.08 0.00 -1.26 -5.11 120.51 127.92 2k1h n ALA 33 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.94 2k1h n ALA 33 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.40 3.34 -0.00 0.00 0.00 -1.26 -4.47 121.76 118.97 2k1h s ALA 34 Ca 0.00 -0.41 -0.09 0.00 0.00 0.00 0.00 51.96 51.46 2k1h s ALA 34 Cb 0.00 -3.68 0.01 0.00 0.00 0.00 0.00 23.12 19.45 2k1h s ALA 34 CO 0.00 -1.81 0.19 -0.65 0.00 0.00 0.00 175.76 173.48 2k1h s GLN 35 N 3.82 0.53 0.28 0.00 -1.52 -1.26 -5.06 119.66 116.45 2k1h s GLN 35 Ca 0.42 -0.32 -0.29 0.00 -1.95 0.00 0.00 55.36 53.22 2k1h s GLN 35 Cb -0.10 0.22 -0.10 0.00 -0.22 0.00 0.00 33.01 32.81 2k1h s GLN 35 CO 0.22 -0.13 1.26 -1.21 -0.25 0.00 0.00 175.29 175.18 2k1h s GLU 36 N -1.32 4.43 0.00 2.91 0.41 -1.26 -2.51 118.70 121.36 2k1h s GLU 36 Ca -0.14 2.08 0.00 0.00 -0.41 0.00 0.00 54.97 56.50 2k1h s GLU 36 Cb -0.07 -3.13 0.00 0.00 -1.78 0.00 0.00 34.13 29.15 2k1h s GLU 36 CO 0.02 -0.11 0.00 0.41 -0.49 0.00 0.00 175.26 175.09 2k1h n GLY 37 N 1.30 2.25 3.88 -1.39 0.00 -1.26 -5.03 105.19 104.94 2k1h n GLY 37 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.47 3.74 -0.47 1.61 -1.52 -1.05 -4.98 119.66 116.53 2k1h s GLN 38 Ca 0.00 0.18 -0.44 0.00 -1.95 0.00 0.00 55.36 53.16 2k1h s GLN 38 Cb 0.00 -2.65 -0.19 0.00 -0.22 0.00 0.00 33.01 29.95 2k1h s GLN 38 CO 0.00 0.29 1.63 -2.30 -0.25 0.00 0.00 175.29 174.66 2k1h n PRO 39 N -0.37 0.00 0.28 2.91 -0.02 -1.26 -4.79 135.00 131.76 2k1h n PRO 39 Ca -0.00 0.00 0.16 0.00 -2.02 0.00 0.00 63.50 61.63 2k1h n PRO 39 Cb 0.53 -1.42 0.84 0.00 -0.02 0.00 0.00 33.50 33.43 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 5.60 0.00 0.00 -0.52 3.07 -1.93 -0.78 114.58 120.02 2k1h h GLU 40 Ca -0.34 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.52 2k1h h GLU 40 Cb 1.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.22 2k1h h GLU 40 CO 0.95 0.07 0.00 0.34 -1.40 0.00 0.00 179.01 178.97 2k1h n PHE 41 N -3.49 0.00 -0.05 4.33 7.35 -1.26 -2.03 117.46 122.30 2k1h n PHE 41 Ca -0.02 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.59 2k1h n PHE 41 Cb 0.19 -0.43 -0.05 0.00 0.35 0.00 0.00 39.48 39.55 2k1h n PHE 41 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 2k1h n ILE 42 N -1.43 0.62 -0.29 -2.13 -0.00 -0.35 -4.51 119.36 111.28 2k1h n ILE 42 Ca 0.04 -0.23 -0.06 0.00 -0.00 0.00 0.00 62.75 62.50 2k1h n ILE 42 Cb 0.14 -0.97 0.06 0.00 -0.00 0.00 0.00 39.64 38.88 2k1h n ILE 42 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.55 177.33 2k1h h ASN 43 N -0.04 1.09 -0.24 4.38 2.35 -1.34 -2.33 115.58 119.46 2k1h h ASN 43 Ca -0.25 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.31 2k1h h ASN 43 Cb 1.36 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 39.44 2k1h h ASN 43 CO -0.05 0.97 0.12 0.03 -1.65 0.00 0.00 177.43 176.85 2k1h h ARG 44 N 1.14 0.38 -0.61 0.81 3.08 -1.68 -2.23 114.38 115.28 2k1h h ARG 44 Ca 0.26 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.19 2k1h h ARG 44 Cb 0.23 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 2k1h h ARG 44 CO -0.02 0.31 0.04 -0.07 -1.07 0.00 0.00 179.97 179.16 2k1h h LEU 45 N 0.38 0.99 -1.75 3.04 4.07 -1.65 -2.47 115.31 117.93 2k1h h LEU 45 Ca 0.10 -0.26 -0.00 0.00 0.08 0.00 0.00 57.88 57.80 2k1h h LEU 45 Cb 0.06 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 41.53 2k1h h LEU 45 CO -0.01 1.02 -0.01 0.15 -1.08 0.00 0.00 178.44 178.51 2k1h h PHE 46 N 0.95 0.00 -0.01 1.13 3.57 -1.29 -2.82 116.94 118.47 2k1h h PHE 46 Ca 0.18 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.68 2k1h h PHE 46 Cb 0.49 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.23 2k1h h PHE 46 CO 0.03 0.01 0.02 0.93 -2.23 0.00 0.00 178.31 177.07 2k1h h GLU 47 N 0.00 0.00 -6.23 1.11 4.39 -1.34 -3.41 114.58 109.10 2k1h h GLU 47 Ca -0.00 0.00 -0.63 0.00 0.34 0.00 0.00 59.36 59.07 2k1h h GLU 47 Cb 0.42 0.00 -0.28 0.00 -0.10 0.00 0.00 28.75 28.79 2k1h h GLU 47 CO 0.00 0.00 -0.86 0.96 -1.16 0.00 0.00 179.01 177.95 2k1h s ILE 48 N -4.50 1.78 0.30 3.13 -5.25 -1.06 -5.12 121.20 110.47 2k1h s ILE 48 Ca -0.05 -1.06 -0.29 0.00 -0.99 0.00 0.00 60.65 58.26 2k1h s ILE 48 Cb 0.14 -1.50 -0.10 0.00 2.95 0.00 0.00 42.46 43.96 2k1h s ILE 48 CO 0.51 0.41 1.32 -1.83 -1.79 0.00 0.00 174.94 173.56 2k1h s GLU 49 N -0.76 4.36 0.00 0.37 -1.05 -1.26 -4.19 118.70 116.16 2k1h s GLU 49 Ca 0.09 2.19 0.00 0.00 -0.15 0.00 0.00 54.97 57.10 2k1h s GLU 49 Cb -0.09 -3.10 0.00 0.00 -0.44 0.00 0.00 34.13 30.50 2k1h s GLU 49 CO 0.00 -0.22 0.00 0.41 0.95 0.00 0.00 175.26 176.40 2k1h n GLY 50 N 1.29 2.98 3.70 -3.83 0.00 -1.26 -4.73 105.19 103.34 2k1h n GLY 50 Ca 0.02 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 2k1h n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k1h s VAL 51 N 0.00 2.50 -0.14 1.61 0.11 -1.26 -0.71 120.40 122.51 2k1h s VAL 51 Ca 0.00 0.13 0.12 0.00 -2.93 0.00 0.00 61.98 59.30 2k1h s VAL 51 Cb 0.00 -3.08 -0.17 0.00 -1.53 0.00 0.00 36.38 31.59 2k1h s VAL 51 CO 0.00 0.00 0.05 0.29 -3.33 0.00 0.00 175.10 172.11 2k1h n LYS 52 N 5.18 1.67 -3.53 1.54 5.02 -0.42 -4.95 118.16 122.67 2k1h n LYS 52 Ca 0.17 -0.01 -0.08 0.00 -2.02 0.00 0.00 58.31 56.37 2k1h n LYS 52 Cb 0.38 -1.36 -0.02 0.00 -0.02 0.00 0.00 35.03 34.01 2k1h n LYS 52 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2k1h s SER 53 N -4.75 -0.34 -0.07 4.39 1.04 -1.25 -4.93 113.70 107.79 2k1h s SER 53 Ca -0.07 -0.05 0.03 0.00 0.48 0.00 0.00 55.95 56.34 2k1h s SER 53 Cb 0.04 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.57 2k1h s SER 53 CO 0.58 -0.66 -0.17 -0.63 0.98 0.00 0.00 173.24 173.34 2k1h s ILE 54 N -3.15 1.47 -0.21 -1.02 1.09 -1.14 -3.20 121.20 115.04 2k1h s ILE 54 Ca 0.06 -0.70 -0.04 0.00 -1.10 0.00 0.00 60.65 58.87 2k1h s ILE 54 Cb -0.01 -1.29 -0.01 0.00 -1.06 0.00 0.00 42.46 40.08 2k1h s ILE 54 CO -0.08 0.43 -0.04 -0.36 -0.10 0.00 0.00 174.94 174.79 2k1h s PHE 55 N 0.36 2.96 -0.23 3.97 0.08 -1.17 -3.51 117.98 120.44 2k1h s PHE 55 Ca -0.12 -0.80 0.02 0.00 0.12 0.00 0.00 56.93 56.14 2k1h s PHE 55 Cb -0.15 -2.07 0.05 0.00 -0.57 0.00 0.00 43.02 40.28 2k1h s PHE 55 CO 0.04 -0.45 -0.11 -0.47 -0.10 0.00 0.00 175.22 174.14 2k1h s TYR 56 N 1.26 2.84 -0.12 0.36 5.04 -1.26 -3.33 117.35 122.14 2k1h s TYR 56 Ca 0.03 -1.96 -0.30 0.00 -2.44 0.00 0.00 57.07 52.40 2k1h s TYR 56 Cb -0.14 -1.79 0.10 0.00 0.35 0.00 0.00 41.96 40.48 2k1h s TYR 56 CO -0.01 -0.82 0.86 0.54 -1.34 0.00 0.00 175.55 174.78 2k1h s VAL 57 N 1.25 0.00 0.00 3.14 0.11 -1.25 -3.82 120.40 119.83 2k1h s VAL 57 Ca -0.05 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.00 2k1h s VAL 57 Cb -0.18 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.67 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 0.86 0.00 -1.06 2.54 7.99 -1.25 -3.08 117.00 123.00 2k1h n LEU 58 Ca -0.14 0.00 0.07 0.00 -0.01 0.00 0.00 56.01 55.93 2k1h n LEU 58 Cb 0.57 0.00 0.24 0.00 -0.11 0.00 0.00 43.42 44.12 2k1h n LEU 58 CO 0.19 -0.25 0.69 -0.90 -1.51 0.00 0.00 177.39 175.60 2k1h n ASP 59 N -3.19 3.08 -3.98 -1.43 5.68 -1.26 -4.75 116.55 110.70 2k1h n ASP 59 Ca 0.00 -2.16 -0.09 0.00 -0.50 0.00 0.00 54.79 52.04 2k1h n ASP 59 Cb 0.00 -0.41 -0.11 0.00 -1.14 0.00 0.00 41.12 39.46 2k1h n ASP 59 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 2k1h s PHE 60 N -1.54 0.29 0.12 2.11 -0.12 -1.18 -2.76 117.98 114.89 2k1h s PHE 60 Ca 0.35 -0.51 0.04 0.00 -0.05 0.00 0.00 56.93 56.76 2k1h s PHE 60 Cb 0.20 -0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 42.35 2k1h s PHE 60 CO 0.20 -0.17 -0.10 0.96 -0.05 0.00 0.00 175.22 176.05 2k1h s ILE 61 N -1.40 1.06 -0.07 -4.49 -4.36 -1.20 -3.88 121.20 106.87 2k1h s ILE 61 Ca -0.15 -1.85 -0.00 0.00 -0.26 0.00 0.00 60.65 58.39 2k1h s ILE 61 Cb -0.10 -1.61 0.03 0.00 1.25 0.00 0.00 42.46 42.03 2k1h s ILE 61 CO -0.01 -0.65 -0.02 -0.55 0.24 0.00 0.00 174.94 173.95 2k1h s SER 62 N -2.80 1.49 -0.19 4.36 0.15 -1.21 -2.92 113.70 112.58 2k1h s SER 62 Ca 0.11 -0.13 -0.07 0.00 0.70 0.00 0.00 55.95 56.56 2k1h s SER 62 Cb -0.00 -0.50 -0.04 0.00 -1.71 0.00 0.00 66.02 63.77 2k1h s SER 62 CO 0.00 -0.14 0.05 -0.63 1.20 0.00 0.00 173.24 173.72 2k1h s ILE 63 N 1.61 4.59 -0.40 6.45 -1.09 -1.26 -3.06 121.20 128.04 2k1h s ILE 63 Ca 0.00 -0.10 -0.17 0.00 -2.23 0.00 0.00 60.65 58.15 2k1h s ILE 63 Cb -0.13 -3.07 0.01 0.00 -1.58 0.00 0.00 42.46 37.69 2k1h s ILE 63 CO -0.04 0.45 0.42 -1.81 -1.23 0.00 0.00 174.94 172.73 2k1h s ASP 64 N 0.55 6.20 0.05 3.58 1.01 -1.20 -4.42 116.67 122.45 2k1h s ASP 64 Ca 0.02 -0.55 0.08 0.00 0.71 0.00 0.00 52.55 52.82 2k1h s ASP 64 Cb -0.13 -2.22 -0.03 0.00 1.01 0.00 0.00 42.92 41.55 2k1h s ASP 64 CO 0.01 -0.52 -0.24 -0.54 0.21 0.00 0.00 175.17 174.10 2k1h s LYS 65 N 2.12 1.59 1.08 8.23 1.02 -1.25 -1.30 119.74 131.22 2k1h s LYS 65 Ca 0.12 -1.03 -0.12 0.00 0.02 0.00 0.00 55.97 54.96 2k1h s LYS 65 Cb -0.17 -1.74 0.22 0.00 -0.52 0.00 0.00 37.83 35.62 2k1h s LYS 65 CO 0.13 0.45 0.94 -1.91 -0.92 0.00 0.00 175.35 174.04 2k1h n GLU 66 N 1.80 -1.64 0.28 1.68 2.13 0.12 -4.71 120.64 120.29 2k1h n GLU 66 Ca -0.17 -0.44 0.18 0.00 0.66 0.00 0.00 57.16 57.39 2k1h n GLU 66 Cb 0.53 -2.18 0.71 0.00 0.27 0.00 0.00 31.44 30.76 2k1h n GLU 66 CO 0.00 0.00 0.00 0.38 -0.41 0.00 0.00 177.13 177.10 2k1h h ASP 67 N -2.33 0.00 -0.32 4.31 3.04 -1.95 -2.66 116.42 116.51 2k1h h ASP 67 Ca -0.54 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.25 2k1h h ASP 67 Cb 1.31 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.60 2k1h h ASP 67 CO 0.45 0.00 0.00 -0.46 -2.04 0.00 0.00 179.24 177.19 2k1h n ASN 68 N -3.08 2.72 -4.55 4.15 0.23 -1.26 -4.88 115.26 108.59 2k1h n ASN 68 Ca 0.00 -2.26 -0.25 0.00 -0.53 0.00 0.00 54.58 51.55 2k1h n ASN 68 Cb 0.29 -0.44 -0.10 0.00 -2.08 0.00 0.00 39.78 37.46 2k1h n ASN 68 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2k1h s ALA 69 N -1.71 2.96 -0.09 -2.53 0.00 -1.00 -5.00 121.76 114.38 2k1h s ALA 69 Ca 0.26 -1.94 -0.06 0.00 0.00 0.00 0.00 51.96 50.22 2k1h s ALA 69 Cb 0.17 -0.27 0.04 0.00 0.00 0.00 0.00 23.12 23.06 2k1h s ALA 69 CO 0.12 0.17 0.22 0.54 0.00 0.00 0.00 175.76 176.81 2k1h s ASN 70 N -3.60 -0.23 0.50 0.00 6.03 -1.26 -4.89 114.94 111.48 2k1h s ASN 70 Ca 0.32 0.47 0.34 0.00 -1.03 0.00 0.00 52.86 52.95 2k1h s ASN 70 Cb -0.02 0.39 1.75 0.00 -3.03 0.00 0.00 41.25 40.34 2k1h s ASN 70 CO 0.17 -0.14 2.02 -0.50 -2.03 0.00 0.00 177.10 176.62 2k1h h TRP 71 N 6.80 0.00 -0.35 1.54 4.06 -1.95 -2.04 115.95 124.02 2k1h h TRP 71 Ca -0.37 0.00 0.09 0.00 2.06 0.00 0.00 58.89 60.68 2k1h h TRP 71 Cb 1.17 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.31 2k1h h TRP 71 CO 0.38 0.00 0.25 -0.91 -3.56 0.00 0.00 178.44 174.60 2k1h h ASN 72 N 0.00 0.03 0.30 -3.49 -0.26 -2.00 0.42 115.58 110.58 2k1h h ASN 72 Ca 0.00 0.00 -0.33 0.00 -0.56 0.00 0.00 56.30 55.41 2k1h h ASN 72 Cb 0.09 -0.01 0.01 0.00 -1.06 0.00 0.00 38.32 37.35 2k1h h ASN 72 CO 0.00 0.02 -1.61 -0.33 -1.06 0.00 0.00 177.43 174.45 2k1h h GLU 73 N 0.04 0.38 -0.26 0.81 4.39 -1.81 -3.36 114.58 114.77 2k1h h GLU 73 Ca 0.16 -0.65 -0.19 0.00 0.34 0.00 0.00 59.36 59.02 2k1h h GLU 73 Cb 0.60 0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 2k1h h GLU 73 CO -0.01 1.28 -0.58 -0.07 -1.16 0.00 0.00 179.01 178.47 2k1h h LEU 74 N 0.10 0.95 -0.66 1.33 4.07 -1.38 -3.24 115.31 116.48 2k1h h LEU 74 Ca -0.29 -0.55 0.06 0.00 0.08 0.00 0.00 57.88 57.18 2k1h h LEU 74 Cb 2.09 -0.28 -0.08 0.00 1.08 0.00 0.00 40.66 43.47 2k1h h LEU 74 CO 0.20 1.33 -0.40 -0.07 -1.08 0.00 0.00 178.44 178.42 2k1h h LEU 75 N 0.61 -1.46 -2.05 1.67 3.38 -0.36 0.87 115.31 117.97 2k1h h LEU 75 Ca -0.00 0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 2k1h h LEU 75 Cb 1.20 0.65 -0.00 0.00 0.09 0.00 0.00 40.66 42.59 2k1h h LEU 75 CO 0.13 -0.16 -0.09 1.55 0.09 0.00 0.00 178.44 179.96 2k1h h PRO 76 N -0.01 0.00 0.06 1.13 0.13 -1.74 0.52 132.00 132.08 2k1h h PRO 76 Ca 0.11 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2k1h h PRO 76 Cb 0.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.41 2k1h h PRO 76 CO -0.63 0.09 -0.03 0.37 -0.23 0.00 0.00 178.00 177.58 2k1h h GLN 77 N 0.00 -0.07 -0.28 0.86 5.75 -0.01 -3.27 115.11 118.09 2k1h h GLN 77 Ca -0.00 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.41 2k1h h GLN 77 Cb 0.24 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.80 2k1h h GLN 77 CO 0.01 0.31 -0.20 -0.84 -2.65 0.00 0.00 178.83 175.46 2k1h h ILE 78 N -0.98 1.30 -0.99 2.39 -0.00 0.47 -3.05 117.51 116.64 2k1h h ILE 78 Ca -0.01 -1.33 0.24 0.00 -0.00 0.00 0.00 64.86 63.76 2k1h h ILE 78 Cb 0.42 1.56 -0.09 0.00 -0.00 0.00 0.00 36.82 38.71 2k1h h ILE 78 CO 0.01 0.42 0.64 -0.08 -0.00 0.00 0.00 178.15 179.14 2k1h h GLU 79 N 0.36 0.44 0.00 0.16 4.22 -1.04 1.03 114.58 119.75 2k1h h GLU 79 Ca 0.05 -0.03 -0.06 0.00 0.08 0.00 0.00 59.36 59.40 2k1h h GLU 79 Cb 0.74 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2k1h h GLU 79 CO 0.05 0.29 -0.30 -0.91 -2.18 0.00 0.00 179.01 175.97 2k1h h ASN 80 N 0.45 0.00 -0.27 1.04 2.35 -1.58 -2.61 115.58 114.96 2k1h h ASN 80 Ca 0.55 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.30 2k1h h ASN 80 Cb 1.31 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.67 2k1h h ASN 80 CO -0.27 0.30 0.16 0.74 -1.65 0.00 0.00 177.43 176.71 2k1h h THR 81 N 0.00 1.10 -0.35 2.81 2.02 0.11 -1.93 112.91 116.67 2k1h h THR 81 Ca -0.00 -0.24 -0.12 0.00 0.77 0.00 0.00 66.41 66.82 2k1h h THR 81 Cb 0.57 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 2k1h h THR 81 CO 0.04 0.10 -0.28 -0.26 0.37 0.00 0.00 175.52 175.48 2k1h h PHE 82 N 0.34 0.83 -0.85 3.16 0.04 -1.41 -2.00 116.94 117.05 2k1h h PHE 82 Ca 0.10 -0.21 0.05 0.00 2.80 0.00 0.00 57.97 60.71 2k1h h PHE 82 Cb 0.02 -0.19 -0.06 0.00 2.20 0.00 0.00 35.95 37.92 2k1h h PHE 82 CO -0.04 0.92 0.54 0.00 -0.60 0.00 0.00 178.31 179.13 2k1h h ALA 83 N 1.06 1.15 0.00 2.45 0.00 -1.15 -0.45 119.26 122.32 2k1h h ALA 83 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2k1h h ALA 83 Cb 0.79 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2k1h h ALA 83 CO 0.07 0.32 -0.00 -0.22 0.00 0.00 0.00 179.25 179.41 2k1h h LYS 84 N 1.01 0.00 -1.73 0.00 3.64 -1.21 -3.29 116.57 114.99 2k1h h LYS 84 Ca 0.36 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.54 2k1h h LYS 84 Cb 0.10 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.84 2k1h h LYS 84 CO -0.15 0.00 0.24 -1.13 -2.27 0.00 0.00 179.45 176.14 2k1h n SER 85 N -2.41 6.00 0.00 4.20 3.41 -0.18 -5.11 113.62 119.54 2k1h n SER 85 Ca 0.05 -2.79 0.00 0.00 -0.26 0.00 0.00 58.87 55.87 2k1h n SER 85 Cb 0.45 -1.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.30 2k1h n SER 85 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42