#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 2.36 0.81 0.03 8.01 -1.26 -5.02 118.70 123.63 2k1h s GLU 2 Ca 0.00 -0.83 -0.16 0.00 0.01 0.00 0.00 54.97 54.00 2k1h s GLU 2 Cb 0.00 -2.43 -0.06 0.00 -4.31 0.00 0.00 34.13 27.33 2k1h s GLU 2 CO 0.00 -0.34 0.09 -0.89 0.01 0.00 0.00 175.26 174.13 2k1h n ILE 3 N 4.66 0.70 0.00 -1.63 5.41 -1.26 -4.25 119.36 122.99 2k1h n ILE 3 Ca -0.17 -0.39 0.00 0.00 1.00 0.00 0.00 62.75 63.19 2k1h n ILE 3 Cb 0.48 -0.43 0.00 0.00 -0.71 0.00 0.00 39.64 38.97 2k1h n ILE 3 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 2k1h n ILE 4 N -2.57 0.00 -3.59 1.39 2.08 -1.21 -4.93 119.36 110.53 2k1h n ILE 4 Ca 0.06 0.00 -0.07 0.00 0.56 0.00 0.00 62.75 63.30 2k1h n ILE 4 Cb 0.52 -0.29 -0.04 0.00 -0.75 0.00 0.00 39.64 39.08 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 -1.54 -2.00 -0.24 -1.39 0.00 -1.09 -5.05 121.76 110.44 2k1h s ALA 5 Ca 0.00 1.61 -0.05 0.00 0.00 0.00 0.00 51.96 53.51 2k1h s ALA 5 Cb 0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.45 2k1h s ALA 5 CO 0.00 -0.40 0.01 0.42 0.00 0.00 0.00 175.76 175.79 2k1h s ILE 6 N -1.61 3.74 -0.41 0.00 1.01 -1.26 -2.73 121.20 119.93 2k1h s ILE 6 Ca 0.04 -0.44 -0.18 0.00 0.00 0.00 0.00 60.65 60.07 2k1h s ILE 6 Cb -0.01 -2.76 0.02 0.00 0.01 0.00 0.00 42.46 39.72 2k1h s ILE 6 CO -0.03 0.34 0.50 -0.94 0.00 0.00 0.00 174.94 174.80 2k1h s SER 7 N 1.52 6.25 -0.50 3.58 1.04 -0.94 -5.01 113.70 119.63 2k1h s SER 7 Ca 0.05 -0.48 -0.26 0.00 0.48 0.00 0.00 55.95 55.74 2k1h s SER 7 Cb -0.15 -2.26 0.03 0.00 0.10 0.00 0.00 66.02 63.75 2k1h s SER 7 CO -0.00 -0.61 1.02 -1.61 0.98 0.00 0.00 173.24 173.01 2k1h s GLU 8 N 2.36 3.54 0.44 4.02 8.01 -1.26 -3.30 118.70 132.50 2k1h s GLU 8 Ca 0.16 0.20 -0.07 0.00 0.01 0.00 0.00 54.97 55.26 2k1h s GLU 8 Cb -0.16 -3.96 -0.05 0.00 -4.31 0.00 0.00 34.13 25.65 2k1h s GLU 8 CO 0.15 -1.38 0.76 -0.08 0.01 0.00 0.00 175.26 174.72 2k1h s THR 9 N 4.14 4.87 -0.69 3.63 -1.32 -1.26 -4.92 115.64 120.09 2k1h s THR 9 Ca 0.39 0.35 0.00 0.00 -1.21 0.00 0.00 61.69 61.23 2k1h s THR 9 Cb -0.09 -3.80 0.00 0.00 -1.51 0.00 0.00 72.50 67.09 2k1h s THR 9 CO 0.26 -0.68 0.16 -0.81 -2.21 0.00 0.00 174.62 171.35 2k1h n PRO 10 N -1.77 0.24 -0.37 7.08 -0.04 -1.26 -4.71 135.00 134.17 2k1h n PRO 10 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2k1h n PRO 10 Cb 0.55 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 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 0.53 0.00 0.00 3.54 3.02 -1.26 -5.09 115.26 116.00 2k1h n ASN 11 Ca 0.00 -0.86 0.00 0.00 -0.03 0.00 0.00 54.58 53.69 2k1h n ASN 11 Cb 0.08 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 2k1h n ASN 11 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 2k1h n HIS 12 N -1.34 0.00 -0.33 3.10 -0.00 -1.26 -4.83 115.22 110.55 2k1h n HIS 12 Ca 0.00 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.26 2k1h n HIS 12 Cb 0.00 0.00 0.23 0.00 -0.12 0.00 0.00 29.99 30.10 2k1h n HIS 12 CO 0.00 0.00 0.00 0.27 0.46 0.00 0.00 176.34 177.07 2k1h n ASN 13 N -2.36 3.48 -4.36 0.26 0.23 -1.26 -4.94 115.26 106.31 2k1h n ASN 13 Ca 0.00 -2.11 -0.33 0.00 -0.53 0.00 0.00 54.58 51.61 2k1h n ASN 13 Cb 0.00 -0.36 -0.15 0.00 -2.08 0.00 0.00 39.78 37.19 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 -1.21 2.90 0.01 5.53 2.01 -1.26 -3.45 115.64 120.17 2k1h s THR 14 Ca 0.35 -0.73 -0.04 0.00 0.31 0.00 0.00 61.69 61.59 2k1h s THR 14 Cb 0.20 -2.19 -0.01 0.00 0.01 0.00 0.00 72.50 70.51 2k1h s THR 14 CO 0.21 0.54 0.05 0.00 -0.69 0.00 0.00 174.62 174.74 2k1h s MET 15 N 0.18 0.38 -0.16 4.92 0.23 -1.24 -4.54 119.30 119.06 2k1h s MET 15 Ca -0.09 -0.47 -0.06 0.00 -1.03 0.00 0.00 55.69 54.05 2k1h s MET 15 Cb -0.15 0.15 -0.04 0.00 -1.53 0.00 0.00 34.83 33.26 2k1h s MET 15 CO 0.05 -0.08 0.03 0.21 -2.03 0.00 0.00 175.02 173.21 2k1h s LYS 16 N -1.33 3.78 -0.33 3.16 2.20 -1.21 -3.41 119.74 122.60 2k1h s LYS 16 Ca -0.14 -0.39 -0.07 0.00 -0.36 0.00 0.00 55.97 55.01 2k1h s LYS 16 Cb -0.08 -3.09 0.03 0.00 -1.51 0.00 0.00 37.83 33.18 2k1h s LYS 16 CO 0.00 0.33 0.11 0.08 -0.36 0.00 0.00 175.35 175.51 2k1h s VAL 17 N 0.18 3.89 -0.12 4.02 1.01 -1.12 -2.21 120.40 126.04 2k1h s VAL 17 Ca 0.03 -0.99 -0.19 0.00 0.00 0.00 0.00 61.98 60.82 2k1h s VAL 17 Cb -0.13 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 2k1h s VAL 17 CO 0.01 -0.11 0.53 -0.44 0.00 0.00 0.00 175.10 175.09 2k1h s SER 18 N 1.44 6.72 -0.04 3.32 0.01 -1.11 -3.17 113.70 120.87 2k1h s SER 18 Ca -0.00 0.87 -0.30 0.00 1.31 0.00 0.00 55.95 57.82 2k1h s SER 18 Cb -0.19 -2.31 0.11 0.00 0.21 0.00 0.00 66.02 63.84 2k1h s SER 18 CO 0.03 -0.06 1.04 -1.48 0.41 0.00 0.00 173.24 173.18 2k1h s LEU 19 N 0.87 -0.23 -0.50 2.44 2.34 -1.18 -2.68 118.68 119.74 2k1h s LEU 19 Ca 0.28 -0.07 -0.29 0.00 0.06 0.00 0.00 54.13 54.11 2k1h s LEU 19 Cb -0.16 1.78 0.03 0.00 -0.56 0.00 0.00 46.19 47.28 2k1h s LEU 19 CO 0.12 -0.51 1.15 -0.94 -1.06 0.00 0.00 176.35 175.11 2k1h s SER 20 N -2.51 6.59 -0.37 1.48 1.04 -1.26 -4.39 113.70 114.28 2k1h s SER 20 Ca 0.08 0.37 0.13 0.00 0.48 0.00 0.00 55.95 57.02 2k1h s SER 20 Cb -0.00 -2.55 0.40 0.00 0.10 0.00 0.00 66.02 63.97 2k1h s SER 20 CO -0.06 -1.30 0.88 -0.62 0.98 0.00 0.00 173.24 173.12 2k1h n GLU 21 N 7.97 1.45 -2.10 4.02 -0.58 -1.26 0.18 120.64 130.33 2k1h n GLU 21 Ca 0.11 -3.55 -0.38 0.00 -0.42 0.00 0.00 57.16 52.92 2k1h n GLU 21 Cb 0.49 -1.60 -0.00 0.00 -0.57 0.00 0.00 31.44 29.76 2k1h n GLU 21 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2k1h s PRO 22 N -2.92 3.80 -0.10 3.49 0.04 -1.26 -4.62 135.00 133.43 2k1h s PRO 22 Ca 0.36 2.03 -0.24 0.00 0.04 0.00 0.00 61.00 63.19 2k1h s PRO 22 Cb 0.40 -2.58 0.06 0.00 0.04 0.00 0.00 34.50 32.41 2k1h s PRO 22 CO -0.04 -0.59 0.57 0.50 0.04 0.00 0.00 177.00 177.48 2k1h s ARG 23 N -2.47 0.85 0.00 4.56 3.52 -1.26 -4.98 118.95 119.17 2k1h s ARG 23 Ca 0.61 0.36 0.17 0.00 -0.13 0.00 0.00 55.73 56.74 2k1h s ARG 23 Cb -0.35 0.40 0.96 0.00 -1.56 0.00 0.00 34.95 34.40 2k1h s ARG 23 CO 0.44 -0.21 1.48 1.04 -0.81 0.00 0.00 175.30 177.23 2k1h n GLN 24 N 1.63 0.41 -3.11 5.12 6.02 -1.26 -3.35 117.38 122.84 2k1h n GLN 24 Ca -0.18 0.06 -0.16 0.00 -0.01 0.00 0.00 57.00 56.71 2k1h n GLN 24 Cb 0.56 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.31 2k1h n GLN 24 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2k1h n ASP 25 N -1.13 0.56 0.00 1.08 2.03 -1.26 -5.03 116.55 112.80 2k1h n ASP 25 Ca 0.11 -3.05 0.00 0.00 0.52 0.00 0.00 54.79 52.37 2k1h n ASP 25 Cb 0.09 -0.36 0.00 0.00 -0.72 0.00 0.00 41.12 40.13 2k1h n ASP 25 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2k1h n ASN 26 N 0.26 0.00 -0.08 1.67 3.02 -1.21 -4.91 115.26 114.01 2k1h n ASN 26 Ca 0.22 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.95 2k1h n ASN 26 Cb 0.68 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.85 2k1h n ASN 26 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2k1h n SER 27 N -0.18 -1.00 -4.74 6.41 2.88 -1.26 -4.63 113.62 111.09 2k1h n SER 27 Ca 0.00 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.18 2k1h n SER 27 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 2k1h n SER 27 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2k1h s PHE 28 N 0.00 3.30 -0.30 0.66 0.40 -1.26 -4.08 117.98 116.71 2k1h s PHE 28 Ca 0.00 0.29 -0.04 0.00 -0.60 0.00 0.00 56.93 56.58 2k1h s PHE 28 Cb 0.00 -1.85 0.19 0.00 0.51 0.00 0.00 43.02 41.86 2k1h s PHE 28 CO 0.00 0.53 0.77 0.99 0.70 0.00 0.00 175.22 178.21 2k1h s THR 29 N -0.85 -0.74 -0.16 0.64 2.01 -1.08 -5.01 115.64 110.46 2k1h s THR 29 Ca 0.13 0.00 -0.06 0.00 0.31 0.00 0.00 61.69 62.07 2k1h s THR 29 Cb -0.12 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.43 2k1h s THR 29 CO 0.03 0.00 0.03 0.28 -0.69 0.00 0.00 174.62 174.27 2k1h s THR 30 N 2.89 4.52 0.22 -0.82 -1.32 -1.26 -2.63 115.64 117.23 2k1h s THR 30 Ca 0.13 -0.14 -0.02 0.00 -1.21 0.00 0.00 61.69 60.45 2k1h s THR 30 Cb -0.11 -3.00 -0.03 0.00 -1.51 0.00 0.00 72.50 67.84 2k1h s THR 30 CO -0.19 0.49 0.19 -0.72 -2.21 0.00 0.00 174.62 172.18 2k1h s TYR 31 N 0.15 1.07 -0.30 9.09 -0.85 -1.12 -4.95 117.35 120.44 2k1h s TYR 31 Ca 0.03 -1.30 -0.10 0.00 -0.52 0.00 0.00 57.07 55.18 2k1h s TYR 31 Cb -0.13 -0.45 0.17 0.00 0.38 0.00 0.00 41.96 41.93 2k1h s TYR 31 CO 0.01 -0.71 0.87 -0.08 -1.52 0.00 0.00 175.55 174.12 2k1h s THR 32 N -4.09 -0.62 0.00 -3.49 -1.32 -1.26 -3.61 115.64 101.25 2k1h s THR 32 Ca 0.37 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.85 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 0.12 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.53 2k1h n ALA 33 N 5.34 0.00 -2.69 11.08 0.00 -1.26 -5.11 120.51 127.88 2k1h n ALA 33 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.96 2k1h n ALA 33 Cb 0.52 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 0.00 3.40 0.14 0.00 0.00 -1.26 -4.60 121.76 119.44 2k1h s ALA 34 Ca 0.00 0.23 -0.25 0.00 0.00 0.00 0.00 51.96 51.94 2k1h s ALA 34 Cb 0.00 -3.27 0.07 0.00 0.00 0.00 0.00 23.12 19.92 2k1h s ALA 34 CO 0.00 -0.49 0.99 1.14 0.00 0.00 0.00 175.76 177.40 2k1h s GLN 35 N 1.72 1.14 0.23 0.00 -2.07 -1.26 -5.07 119.66 114.34 2k1h s GLN 35 Ca 0.43 -0.63 -0.23 0.00 -1.82 0.00 0.00 55.36 53.11 2k1h s GLN 35 Cb -0.18 0.38 -0.09 0.00 -1.09 0.00 0.00 33.01 32.04 2k1h s GLN 35 CO 0.17 -0.52 0.79 -1.21 -1.32 0.00 0.00 175.29 173.20 2k1h s GLU 36 N -3.18 4.43 0.00 9.60 2.02 -1.26 -3.76 118.70 126.56 2k1h s GLU 36 Ca 0.13 1.07 0.00 0.00 0.02 0.00 0.00 54.97 56.19 2k1h s GLU 36 Cb -0.01 -2.99 0.00 0.00 0.10 0.00 0.00 34.13 31.23 2k1h s GLU 36 CO 0.02 0.43 0.00 0.41 0.02 0.00 0.00 175.26 176.14 2k1h n GLY 37 N 0.98 3.11 3.88 -1.39 0.00 -1.26 -5.04 105.19 105.47 2k1h n GLY 37 Ca -0.02 0.00 -0.33 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 -0.28 3.70 -0.42 1.61 -0.21 -1.25 -5.00 119.66 117.81 2k1h s GLN 38 Ca 0.00 0.07 -0.46 0.00 0.02 0.00 0.00 55.36 54.99 2k1h s GLN 38 Cb 0.00 -2.88 -0.20 0.00 1.00 0.00 0.00 33.01 30.93 2k1h s GLN 38 CO 0.00 0.49 1.54 -2.30 -2.12 0.00 0.00 175.29 172.90 2k1h n PRO 39 N 0.40 0.09 0.25 2.91 -0.02 -1.26 -4.81 135.00 132.57 2k1h n PRO 39 Ca -0.04 0.03 0.12 0.00 -2.02 0.00 0.00 63.50 61.59 2k1h n PRO 39 Cb 0.52 -1.55 0.66 0.00 -0.02 0.00 0.00 33.50 33.12 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 4.92 0.00 0.00 -0.52 5.08 -1.94 -1.87 114.58 120.25 2k1h h GLU 40 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2k1h h GLU 40 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 2k1h h GLU 40 CO 0.94 0.15 0.00 0.74 -1.00 0.00 0.00 179.01 179.84 2k1h h PHE 41 N 0.00 0.00 0.00 4.33 0.04 -1.96 -2.18 116.94 117.17 2k1h h PHE 41 Ca -0.00 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.44 2k1h h PHE 41 Cb 0.41 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.50 2k1h h PHE 41 CO 0.00 0.00 -2.25 -0.89 -0.60 0.00 0.00 178.31 174.57 2k1h n ILE 42 N -2.84 1.26 -0.20 -0.55 2.08 -0.73 -4.46 119.36 113.92 2k1h n ILE 42 Ca -0.02 -0.68 -0.04 0.00 0.56 0.00 0.00 62.75 62.57 2k1h n ILE 42 Cb 0.10 -0.77 0.14 0.00 -0.75 0.00 0.00 39.64 38.36 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 0.92 -0.30 4.38 2.35 -1.15 -2.49 115.58 119.29 2k1h h ASN 43 Ca -0.49 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.11 2k1h h ASN 43 Cb 2.01 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 40.12 2k1h h ASN 43 CO -0.01 0.85 0.20 0.03 -1.65 0.00 0.00 177.43 176.86 2k1h h ARG 44 N 0.97 0.40 -0.69 0.81 2.47 -1.63 -1.92 114.38 114.78 2k1h h ARG 44 Ca 0.22 -0.03 -0.05 0.00 -1.26 0.00 0.00 59.98 58.87 2k1h h ARG 44 Cb 0.25 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.44 2k1h h ARG 44 CO -0.01 0.27 0.24 -0.07 0.56 0.00 0.00 179.97 180.96 2k1h h LEU 45 N 0.41 0.97 -0.49 3.04 4.07 -1.66 -1.55 115.31 120.11 2k1h h LEU 45 Ca 0.11 -0.16 0.00 0.00 0.08 0.00 0.00 57.88 57.91 2k1h h LEU 45 Cb -0.04 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.44 2k1h h LEU 45 CO -0.02 0.89 0.00 0.33 -1.08 0.00 0.00 178.44 178.56 2k1h n PHE 46 N -4.27 0.00 0.05 1.13 7.35 -0.72 -2.94 117.46 118.06 2k1h n PHE 46 Ca 0.06 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.79 2k1h n PHE 46 Cb 0.20 -0.04 -0.06 0.00 0.35 0.00 0.00 39.48 39.93 2k1h n PHE 46 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 2k1h n GLU 47 N -0.21 0.62 -5.02 -4.13 2.13 -0.58 -4.87 120.64 108.58 2k1h n GLU 47 Ca 0.00 0.17 -0.29 0.00 0.66 0.00 0.00 57.16 57.69 2k1h n GLU 47 Cb 0.10 -1.80 -0.15 0.00 0.27 0.00 0.00 31.44 29.86 2k1h n GLU 47 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 2k1h s ILE 48 N -3.09 1.95 0.41 6.31 -5.25 -1.15 -5.12 121.20 115.27 2k1h s ILE 48 Ca -0.02 -1.18 -0.25 0.00 -0.99 0.00 0.00 60.65 58.20 2k1h s ILE 48 Cb 0.09 -1.65 -0.08 0.00 2.95 0.00 0.00 42.46 43.77 2k1h s ILE 48 CO 0.81 0.43 1.22 -1.83 -1.79 0.00 0.00 174.94 173.78 2k1h s GLU 49 N -0.89 3.96 0.00 0.37 -1.05 -1.26 -4.03 118.70 115.78 2k1h s GLU 49 Ca 0.10 1.95 0.00 0.00 -0.15 0.00 0.00 54.97 56.87 2k1h s GLU 49 Cb -0.09 -2.66 0.00 0.00 -0.44 0.00 0.00 34.13 30.94 2k1h s GLU 49 CO 0.01 -0.44 0.00 0.41 0.95 0.00 0.00 175.26 176.19 2k1h n GLY 50 N 0.63 3.89 3.61 -3.83 0.00 -1.26 -4.67 105.19 103.57 2k1h n GLY 50 Ca 0.05 -0.90 -0.48 0.00 0.00 0.00 0.00 46.02 44.69 2k1h n GLY 50 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2k1h n VAL 51 N 0.00 0.44 -0.00 1.61 0.24 -1.26 0.81 118.33 120.17 2k1h n VAL 51 Ca 0.00 -0.21 -0.22 0.00 -2.04 0.00 0.00 64.34 61.88 2k1h n VAL 51 Cb 0.00 -1.94 -0.14 0.00 -1.47 0.00 0.00 33.84 30.30 2k1h n VAL 51 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2k1h h LYS 52 N 11.05 0.23 -1.98 7.34 3.64 -1.68 -3.47 116.57 131.70 2k1h h LYS 52 Ca -0.42 -0.39 0.23 0.00 -1.27 0.00 0.00 60.65 58.80 2k1h h LYS 52 Cb 1.28 0.15 -0.10 0.00 -0.41 0.00 0.00 32.23 33.14 2k1h h LYS 52 CO 0.97 1.19 0.62 -1.54 -2.27 0.00 0.00 179.45 178.42 2k1h s SER 53 N -7.04 -0.14 -0.01 4.20 1.04 -1.21 -5.04 113.70 105.50 2k1h s SER 53 Ca -0.22 -0.27 0.02 0.00 0.48 0.00 0.00 55.95 55.96 2k1h s SER 53 Cb 0.06 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2k1h s SER 53 CO 0.75 -0.64 -0.05 -0.63 0.98 0.00 0.00 173.24 173.64 2k1h s ILE 54 N -2.93 0.46 -0.10 -1.02 1.09 -1.24 -2.96 121.20 114.50 2k1h s ILE 54 Ca 0.12 -0.21 -0.00 0.00 -1.10 0.00 0.00 60.65 59.46 2k1h s ILE 54 Cb 0.01 -0.41 -0.03 0.00 -1.06 0.00 0.00 42.46 40.97 2k1h s ILE 54 CO -0.01 0.15 -0.07 -0.36 -0.10 0.00 0.00 174.94 174.55 2k1h s PHE 55 N 0.10 2.94 -0.16 3.97 0.08 -0.78 -2.81 117.98 121.31 2k1h s PHE 55 Ca -0.01 -0.14 0.01 0.00 0.12 0.00 0.00 56.93 56.91 2k1h s PHE 55 Cb -0.05 -1.79 0.03 0.00 -0.57 0.00 0.00 43.02 40.64 2k1h s PHE 55 CO -0.00 0.17 -0.14 -0.47 -0.10 0.00 0.00 175.22 174.68 2k1h s TYR 56 N -0.38 2.27 -0.26 0.36 5.04 -1.08 -2.66 117.35 120.65 2k1h s TYR 56 Ca 0.05 -1.34 -0.26 0.00 -2.44 0.00 0.00 57.07 53.09 2k1h s TYR 56 Cb -0.12 -1.63 0.11 0.00 0.35 0.00 0.00 41.96 40.66 2k1h s TYR 56 CO 0.02 -0.70 0.94 0.54 -1.34 0.00 0.00 175.55 175.01 2k1h s VAL 57 N 1.45 0.00 0.00 3.14 0.11 -1.22 -2.62 120.40 121.26 2k1h s VAL 57 Ca 0.04 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.09 2k1h s VAL 57 Cb -0.14 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.71 2k1h s VAL 57 CO -0.10 0.00 0.00 -0.11 -3.33 0.00 0.00 175.10 171.56 2k1h n LEU 58 N 2.15 0.00 -1.67 2.54 0.00 -1.26 -3.00 117.00 115.75 2k1h n LEU 58 Ca -0.13 0.00 0.07 0.00 0.00 0.00 0.00 56.01 55.95 2k1h n LEU 58 Cb 0.56 0.00 0.35 0.00 0.00 0.00 0.00 43.42 44.33 2k1h n LEU 58 CO 0.05 0.00 0.80 -0.90 0.00 0.00 0.00 177.39 177.33 2k1h n ASP 59 N -2.03 4.99 -4.01 1.96 5.75 -1.26 -4.70 116.55 117.25 2k1h n ASP 59 Ca 0.00 -2.71 -0.08 0.00 -0.01 0.00 0.00 54.79 51.99 2k1h n ASP 59 Cb 0.00 -0.64 -0.10 0.00 -1.03 0.00 0.00 41.12 39.36 2k1h n ASP 59 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 2k1h s PHE 60 N -2.36 0.36 0.02 2.11 -0.12 -1.16 -3.09 117.98 113.73 2k1h s PHE 60 Ca 0.48 -0.78 0.03 0.00 -0.05 0.00 0.00 56.93 56.61 2k1h s PHE 60 Cb 0.35 -0.26 -0.02 0.00 -0.63 0.00 0.00 43.02 42.46 2k1h s PHE 60 CO 0.16 -0.36 -0.10 0.96 -0.05 0.00 0.00 175.22 175.84 2k1h s ILE 61 N -3.12 0.80 -0.19 -4.49 -4.36 -1.19 -3.44 121.20 105.22 2k1h s ILE 61 Ca -0.01 -0.77 -0.03 0.00 -0.26 0.00 0.00 60.65 59.58 2k1h s ILE 61 Cb 0.02 -0.74 -0.02 0.00 1.25 0.00 0.00 42.46 42.98 2k1h s ILE 61 CO -0.07 -0.01 -0.05 -0.55 0.24 0.00 0.00 174.94 174.50 2k1h s SER 62 N -0.87 4.45 -0.17 4.36 0.15 -1.09 -2.78 113.70 117.75 2k1h s SER 62 Ca -0.00 -0.30 -0.02 0.00 0.70 0.00 0.00 55.95 56.33 2k1h s SER 62 Cb -0.06 -1.74 -0.01 0.00 -1.71 0.00 0.00 66.02 62.49 2k1h s SER 62 CO 0.00 0.06 -0.07 -0.63 1.20 0.00 0.00 173.24 173.80 2k1h s ILE 63 N 1.00 3.35 -0.09 6.45 1.01 -1.22 -1.87 121.20 129.83 2k1h s ILE 63 Ca 0.00 -0.53 0.03 0.00 0.00 0.00 0.00 60.65 60.15 2k1h s ILE 63 Cb -0.15 -2.47 -0.01 0.00 0.01 0.00 0.00 42.46 39.84 2k1h s ILE 63 CO 0.00 0.48 -0.18 -1.81 0.00 0.00 0.00 174.94 173.43 2k1h s ASP 64 N 0.85 3.64 0.05 3.58 1.01 -1.16 -3.60 116.67 121.03 2k1h s ASP 64 Ca -0.02 -0.38 -0.06 0.00 0.71 0.00 0.00 52.55 52.80 2k1h s ASP 64 Cb -0.15 -1.24 -0.01 0.00 1.01 0.00 0.00 42.92 42.53 2k1h s ASP 64 CO 0.01 0.22 0.11 -1.59 0.21 0.00 0.00 175.17 174.13 2k1h s LYS 65 N 0.01 0.64 1.00 8.23 -2.85 -1.22 -1.73 119.74 123.81 2k1h s LYS 65 Ca -0.06 -0.82 -0.15 0.00 -1.00 0.00 0.00 55.97 53.94 2k1h s LYS 65 Cb -0.15 0.25 0.04 0.00 -2.06 0.00 0.00 37.83 35.91 2k1h s LYS 65 CO 0.05 -0.17 0.18 -1.91 0.10 0.00 0.00 175.35 173.60 2k1h n GLU 66 N 0.57 -0.63 0.12 1.78 4.07 0.24 -4.73 120.64 122.06 2k1h n GLU 66 Ca -0.18 -0.15 0.11 0.00 -0.06 0.00 0.00 57.16 56.89 2k1h n GLU 66 Cb 0.59 -1.74 0.48 0.00 -0.06 0.00 0.00 31.44 30.71 2k1h n GLU 66 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2k1h n ASP 67 N -1.01 0.61 -0.57 4.31 8.00 -1.26 -2.11 116.55 124.52 2k1h n ASP 67 Ca 0.04 0.65 0.05 0.00 0.71 0.00 0.00 54.79 56.24 2k1h n ASP 67 Cb 0.57 -0.78 0.14 0.00 -0.02 0.00 0.00 41.12 41.02 2k1h n ASP 67 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2k1h n ASN 68 N -2.18 1.65 -4.88 -2.24 5.03 -1.26 -4.87 115.26 106.51 2k1h n ASN 68 Ca 0.02 -2.00 -0.21 0.00 0.87 0.00 0.00 54.58 53.27 2k1h n ASN 68 Cb 0.23 -0.21 -0.03 0.00 -1.02 0.00 0.00 39.78 38.75 2k1h n ASN 68 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2k1h s ALA 69 N -1.59 3.91 -0.14 5.41 0.00 -0.90 -4.98 121.76 123.48 2k1h s ALA 69 Ca 0.21 -1.61 -0.10 0.00 0.00 0.00 0.00 51.96 50.46 2k1h s ALA 69 Cb 0.11 -1.28 0.05 0.00 0.00 0.00 0.00 23.12 22.00 2k1h s ALA 69 CO 0.14 0.01 0.36 0.54 0.00 0.00 0.00 175.76 176.81 2k1h s ASN 70 N -4.03 -0.42 0.47 0.00 6.03 -1.26 -4.97 114.94 110.76 2k1h s ASN 70 Ca 0.41 0.76 0.31 0.00 -1.03 0.00 0.00 52.86 53.32 2k1h s ASN 70 Cb -0.07 0.69 1.38 0.00 -3.03 0.00 0.00 41.25 40.23 2k1h s ASN 70 CO 0.27 -0.16 1.93 -0.50 -2.03 0.00 0.00 177.10 176.62 2k1h h TRP 71 N 6.52 0.00 -0.01 1.54 6.55 -1.98 -2.81 115.95 125.76 2k1h h TRP 71 Ca -0.33 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.51 2k1h h TRP 71 Cb 1.18 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 29.48 2k1h h TRP 71 CO 0.33 0.00 0.11 -2.95 -1.05 0.00 0.00 178.44 174.88 2k1h h ASN 72 N 0.00 0.00 0.26 -3.49 -0.00 -2.01 0.36 115.58 110.70 2k1h h ASN 72 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 56.30 56.00 2k1h h ASN 72 Cb 0.37 0.00 -0.05 0.00 -0.00 0.00 0.00 38.32 38.64 2k1h h ASN 72 CO 0.00 0.00 -2.01 -0.62 -0.00 0.00 0.00 177.43 174.80 2k1h n GLU 73 N -3.08 0.66 0.02 4.14 1.02 -1.06 -4.33 120.64 118.00 2k1h n GLU 73 Ca -0.02 0.12 -0.18 0.00 -0.02 0.00 0.00 57.16 57.06 2k1h n GLU 73 Cb 0.18 -1.65 -0.08 0.00 -0.02 0.00 0.00 31.44 29.87 2k1h n GLU 73 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2k1h h LEU 74 N 0.00 0.88 -0.70 -4.62 4.07 -1.12 -3.30 115.31 110.53 2k1h h LEU 74 Ca -0.38 -0.65 0.06 0.00 0.08 0.00 0.00 57.88 57.00 2k1h h LEU 74 Cb 2.03 -0.27 -0.09 0.00 1.08 0.00 0.00 40.66 43.41 2k1h h LEU 74 CO 0.05 1.44 -0.45 -0.07 -1.08 0.00 0.00 178.44 178.34 2k1h h LEU 75 N 0.44 -1.63 -2.08 1.67 3.38 -1.27 0.48 115.31 116.30 2k1h h LEU 75 Ca -0.09 0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2k1h h LEU 75 Cb 1.55 0.71 -0.00 0.00 0.09 0.00 0.00 40.66 43.01 2k1h h LEU 75 CO 0.18 -0.20 -0.05 1.55 0.09 0.00 0.00 178.44 180.02 2k1h h PRO 76 N -0.05 0.00 -0.00 1.13 0.13 -1.80 0.74 132.00 132.16 2k1h h PRO 76 Ca 0.11 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2k1h h PRO 76 Cb 0.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.46 2k1h h PRO 76 CO -0.68 0.05 -0.00 1.96 -0.23 0.00 0.00 178.00 179.10 2k1h h GLN 77 N 0.00 0.00 -0.25 0.86 4.20 -0.43 -3.13 115.11 116.36 2k1h h GLN 77 Ca -0.00 -0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 2k1h h GLN 77 Cb 0.10 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 2k1h h GLN 77 CO 0.01 0.78 -0.31 -0.84 -0.67 0.00 0.00 178.83 177.80 2k1h h ILE 78 N -0.78 1.31 -0.85 2.54 3.07 -0.14 -3.03 117.51 119.64 2k1h h ILE 78 Ca -0.00 -1.50 0.17 0.00 1.55 0.00 0.00 64.86 65.09 2k1h h ILE 78 Cb 0.78 1.68 -0.06 0.00 -0.27 0.00 0.00 36.82 38.95 2k1h h ILE 78 CO 0.00 0.47 0.56 -0.08 -1.05 0.00 0.00 178.15 178.05 2k1h h GLU 79 N 0.38 0.45 -0.75 0.16 4.22 -0.98 0.20 114.58 118.26 2k1h h GLU 79 Ca 0.03 -0.03 -0.05 0.00 0.08 0.00 0.00 59.36 59.40 2k1h h GLU 79 Cb 0.89 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 2k1h h GLU 79 CO 0.07 0.30 0.27 -0.91 -2.18 0.00 0.00 179.01 176.56 2k1h h ASN 80 N 0.46 1.05 -0.17 1.04 2.35 -1.47 0.40 115.58 119.25 2k1h h ASN 80 Ca 0.43 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 56.00 2k1h h ASN 80 Cb 0.97 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 2k1h h ASN 80 CO -0.16 0.95 0.09 0.74 -1.65 0.00 0.00 177.43 177.39 2k1h h THR 81 N 1.09 1.12 -0.31 2.81 2.02 -0.64 -2.90 112.91 116.10 2k1h h THR 81 Ca 0.25 -0.33 -0.06 0.00 0.77 0.00 0.00 66.41 67.04 2k1h h THR 81 Cb 0.25 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 2k1h h THR 81 CO -0.02 0.11 -0.04 0.15 0.37 0.00 0.00 175.52 176.09 2k1h h PHE 82 N 0.16 0.64 -1.30 3.16 3.04 -1.17 -2.90 116.94 118.56 2k1h h PHE 82 Ca 0.06 -0.13 0.39 0.00 3.98 0.00 0.00 57.97 62.27 2k1h h PHE 82 Cb 0.10 -0.16 -0.09 0.00 2.56 0.00 0.00 35.95 38.35 2k1h h PHE 82 CO -0.03 0.74 0.88 0.00 -2.02 0.00 0.00 178.31 177.87 2k1h h ALA 83 N 0.81 2.84 0.11 2.41 0.00 -0.01 0.34 119.26 125.76 2k1h h ALA 83 Ca 0.08 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2k1h h ALA 83 Cb 0.51 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2k1h h ALA 83 CO 0.02 -1.33 -0.05 0.87 0.00 0.00 0.00 179.25 178.76 2k1h h LYS 84 N 0.14 -0.15 -1.54 0.00 1.57 -1.32 -2.91 116.57 112.36 2k1h h LYS 84 Ca 0.71 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.50 2k1h h LYS 84 Cb 2.37 0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.71 2k1h h LYS 84 CO -0.23 0.19 0.00 0.43 -0.57 0.00 0.00 179.45 179.27 2k1h n SER 85 N -5.00 3.37 0.00 0.86 7.64 0.12 -5.16 113.62 115.46 2k1h n SER 85 Ca -0.09 -1.89 0.00 0.00 1.01 0.00 0.00 58.87 57.90 2k1h n SER 85 Cb 0.22 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 2k1h n SER 85 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62