#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8h n SER 2 N 0.00 -1.67 -3.15 7.83 2.88 -1.26 -5.08 113.62 113.17 2k8h n SER 2 Ca 0.00 -1.39 -0.21 0.00 -1.33 0.00 0.00 58.87 55.94 2k8h n SER 2 Cb 0.00 0.87 -0.06 0.00 -0.75 0.00 0.00 64.21 64.27 2k8h n SER 2 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2k8h n ASN 3 N 2.37 -0.59 -4.00 -3.46 5.15 -1.26 -5.11 115.26 108.35 2k8h n ASN 3 Ca 0.10 -2.72 -0.14 0.00 -0.60 0.00 0.00 54.58 51.21 2k8h n ASN 3 Cb 0.65 -0.15 -0.13 0.00 -0.53 0.00 0.00 39.78 39.62 2k8h n ASN 3 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 2k8h s ASN 4 N -0.89 0.70 0.00 1.20 0.01 -1.26 -5.10 114.94 109.61 2k8h s ASN 4 Ca 0.34 -0.30 0.00 0.00 -0.71 0.00 0.00 52.86 52.19 2k8h s ASN 4 Cb 0.14 -0.02 0.00 0.00 0.41 0.00 0.00 41.25 41.78 2k8h s ASN 4 CO -0.15 -0.06 0.00 0.61 -1.51 0.00 0.00 177.10 175.99 2k8h n GLY 5 N 2.27 -0.66 2.06 0.66 0.00 -1.26 -5.03 105.19 103.24 2k8h n GLY 5 Ca -0.17 -2.10 -0.03 0.00 0.00 0.00 0.00 46.02 43.72 2k8h n GLY 5 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k8h n GLY 6 N 0.00 0.36 3.86 -0.02 0.00 -1.26 -5.05 105.19 103.08 2k8h n GLY 6 Ca 0.00 -0.83 -0.22 0.00 0.00 0.00 0.00 46.02 44.98 2k8h n GLY 6 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k8h s GLU 7 N -3.56 3.01 1.09 1.61 2.02 -1.26 -5.12 118.70 116.49 2k8h s GLU 7 Ca 0.00 -1.02 -0.15 0.00 0.02 0.00 0.00 54.97 53.82 2k8h s GLU 7 Cb 0.00 -2.62 0.23 0.00 0.10 0.00 0.00 34.13 31.84 2k8h s GLU 7 CO 0.00 0.38 1.10 -1.25 0.02 0.00 0.00 175.26 175.51 2k8h s PRO 8 N -3.89 -0.29 0.00 0.39 0.04 -1.26 -4.84 135.00 125.15 2k8h s PRO 8 Ca 0.34 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.65 2k8h s PRO 8 Cb -0.08 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.79 2k8h s PRO 8 CO 0.26 -3.16 0.00 0.43 0.04 0.00 0.00 177.00 174.57 2k8h n SER 9 N -4.43 0.00 -2.85 6.66 7.64 -1.26 -5.06 113.62 114.31 2k8h n SER 9 Ca 0.08 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.94 2k8h n SER 9 Cb 0.58 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.79 2k8h n SER 9 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2k8h s ASN 10 N -2.86 -1.20 -0.50 6.43 2.20 -1.26 -5.07 114.94 112.68 2k8h s ASN 10 Ca 0.00 -1.18 0.07 0.00 -0.94 0.00 0.00 52.86 50.81 2k8h s ASN 10 Cb 0.00 1.56 0.24 0.00 -2.00 0.00 0.00 41.25 41.05 2k8h s ASN 10 CO 0.00 -0.07 0.60 0.59 -2.94 0.00 0.00 177.10 175.28 2k8h n ASN 11 N 3.27 1.68 -0.01 3.54 4.13 -1.26 -4.86 115.26 121.76 2k8h n ASN 11 Ca 0.14 -2.99 0.09 0.00 1.68 0.00 0.00 54.58 53.50 2k8h n ASN 11 Cb 0.58 -0.65 -0.13 0.00 -1.54 0.00 0.00 39.78 38.04 2k8h n ASN 11 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2k8h n GLY 12 N 1.30 -0.79 0.00 7.41 0.00 -1.26 -4.91 105.19 106.95 2k8h n GLY 12 Ca 0.25 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2k8h n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k8h n GLY 13 N 1.51 0.63 0.47 -0.02 0.00 -1.26 -5.11 105.19 101.41 2k8h n GLY 13 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2k8h n GLY 13 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k8h n GLU 14 N 0.00 0.00 0.00 1.61 1.02 -1.26 -5.17 120.64 116.84 2k8h n GLU 14 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2k8h n GLU 14 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2k8h n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k8h n GLY 15 N -1.19 2.99 3.64 0.62 0.00 -1.26 -5.06 105.19 104.93 2k8h n GLY 15 Ca 0.00 -1.51 -0.04 0.00 0.00 0.00 0.00 46.02 44.47 2k8h n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k8h s ALA 16 N -0.81 -2.14 0.06 4.61 0.00 -1.26 -5.12 121.76 117.11 2k8h s ALA 16 Ca 0.00 1.75 -0.27 0.00 0.00 0.00 0.00 51.96 53.44 2k8h s ALA 16 Cb 0.00 -1.58 0.10 0.00 0.00 0.00 0.00 23.12 21.63 2k8h s ALA 16 CO 0.00 -0.17 1.17 -2.00 0.00 0.00 0.00 175.76 174.76 2k8h s GLU 17 N -0.26 0.75 0.00 0.00 2.56 -1.26 -5.09 118.70 115.39 2k8h s GLU 17 Ca 0.06 -0.44 0.00 0.00 0.00 0.00 0.00 54.97 54.59 2k8h s GLU 17 Cb -0.04 0.23 0.00 0.00 2.00 0.00 0.00 34.13 36.33 2k8h s GLU 17 CO -0.11 -0.35 0.00 0.41 -0.56 0.00 0.00 175.26 174.65 2k8h n GLY 18 N -0.60 1.50 3.84 -1.50 0.00 -1.26 -5.05 105.19 102.13 2k8h n GLY 18 Ca -0.05 -0.34 -0.07 0.00 0.00 0.00 0.00 46.02 45.56 2k8h n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k8h s THR 19 N -2.00 0.00 -0.02 2.61 2.01 -1.26 -5.17 115.64 111.81 2k8h s THR 19 Ca 0.00 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 61.05 2k8h s THR 19 Cb 0.00 -2.18 0.01 0.00 0.01 0.00 0.00 72.50 70.34 2k8h s THR 19 CO 0.00 0.00 -0.01 0.00 -0.69 0.00 0.00 174.62 173.92 2k8h n LYS 21 N 3.64 -2.44 0.00 0.00 4.81 -1.26 -5.02 118.16 117.89 2k8h n LYS 21 Ca -0.21 2.11 0.00 0.00 -0.87 0.00 0.00 58.31 59.34 2k8h n LYS 21 Cb 0.54 -4.12 0.00 0.00 0.02 0.00 0.00 35.03 31.47 2k8h n LYS 21 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2k8h n GLU 22 N 0.63 0.00 -2.28 1.64 2.13 -1.26 -5.16 120.64 116.33 2k8h n GLU 22 Ca 0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 2k8h n GLU 22 Cb 0.24 -0.11 0.00 0.00 0.27 0.00 0.00 31.44 31.85 2k8h n GLU 22 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2k8h n GLU 23 N -2.00 0.05 -4.42 5.31 2.13 -1.26 -5.17 120.64 115.28 2k8h n GLU 23 Ca 0.00 -0.19 -0.31 0.00 0.66 0.00 0.00 57.16 57.32 2k8h n GLU 23 Cb 0.00 0.31 -0.10 0.00 0.27 0.00 0.00 31.44 31.91 2k8h n GLU 23 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 2k8h s THR 24 N -2.16 3.47 0.04 6.31 -1.32 -1.26 -4.96 115.64 115.76 2k8h s THR 24 Ca 0.07 -0.97 -0.28 0.00 -1.21 0.00 0.00 61.69 59.30 2k8h s THR 24 Cb -0.00 -2.54 0.09 0.00 -1.51 0.00 0.00 72.50 68.54 2k8h s THR 24 CO 0.00 0.30 0.90 0.00 -2.21 0.00 0.00 174.62 173.62 2k8h s ALA 25 N -1.06 -1.78 -0.09 11.08 0.00 -1.26 -5.08 121.76 123.58 2k8h s ALA 25 Ca 0.18 0.76 0.02 0.00 0.00 0.00 0.00 51.96 52.92 2k8h s ALA 25 Cb -0.11 0.49 0.01 0.00 0.00 0.00 0.00 23.12 23.51 2k8h s ALA 25 CO 0.09 -0.79 -0.15 -0.51 0.00 0.00 0.00 175.76 174.41 2k8h s LEU 26 N -2.62 1.70 -0.03 0.00 1.02 -1.26 -3.16 118.68 114.34 2k8h s LEU 26 Ca 0.07 -0.38 0.01 0.00 0.02 0.00 0.00 54.13 53.85 2k8h s LEU 26 Cb -0.01 -1.00 0.01 0.00 0.02 0.00 0.00 46.19 45.21 2k8h s LEU 26 CO -0.06 0.03 -0.05 -0.69 0.02 0.00 0.00 176.35 175.60 2k8h s VAL 27 N 0.81 0.53 -0.01 -1.59 1.01 -0.43 -4.66 120.40 116.07 2k8h s VAL 27 Ca -0.11 -0.18 -0.19 0.00 0.00 0.00 0.00 61.98 61.50 2k8h s VAL 27 Cb -0.16 -0.51 -0.06 0.00 0.00 0.00 0.00 36.38 35.66 2k8h s VAL 27 CO 0.02 0.20 0.53 0.00 0.00 0.00 0.00 175.10 175.84 2k8h s ALA 28 N 0.50 3.55 -0.01 5.51 0.00 -0.31 -1.43 121.76 129.58 2k8h s ALA 28 Ca -0.07 -0.06 0.08 0.00 0.00 0.00 0.00 51.96 51.91 2k8h s ALA 28 Cb -0.10 -2.63 -0.02 0.00 0.00 0.00 0.00 23.12 20.37 2k8h s ALA 28 CO 0.00 0.25 -0.24 0.08 0.00 0.00 0.00 175.76 175.85 2k8h s VAL 29 N -0.44 2.24 -0.25 0.00 1.01 -0.48 -1.54 120.40 120.95 2k8h s VAL 29 Ca 0.28 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 61.14 2k8h s VAL 29 Cb -0.18 -1.82 0.07 0.00 0.00 0.00 0.00 36.38 34.45 2k8h s VAL 29 CO 0.16 0.52 -0.02 -0.75 0.00 0.00 0.00 175.10 175.01 2k8h s LYS 30 N -0.81 1.40 -0.30 2.72 2.20 -0.38 -1.25 119.74 123.31 2k8h s LYS 30 Ca 0.11 -0.99 -0.15 0.00 -0.36 0.00 0.00 55.97 54.57 2k8h s LYS 30 Cb -0.10 -2.51 -0.02 0.00 -1.51 0.00 0.00 37.83 33.68 2k8h s LYS 30 CO 0.00 -0.67 0.38 0.08 -0.36 0.00 0.00 175.35 174.78 2k8h s VAL 31 N 1.44 5.15 0.27 4.02 1.01 -0.49 -1.45 120.40 130.36 2k8h s VAL 31 Ca -0.02 0.35 0.09 0.00 0.00 0.00 0.00 61.98 62.40 2k8h s VAL 31 Cb -0.18 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 2k8h s VAL 31 CO -0.08 0.03 0.02 0.68 0.00 0.00 0.00 175.10 175.74 2k8h s VAL 32 N 2.09 3.46 0.08 2.92 -7.23 -0.46 -1.35 120.40 119.91 2k8h s VAL 32 Ca 0.14 -1.86 0.04 0.00 -1.81 0.00 0.00 61.98 58.48 2k8h s VAL 32 Cb -0.16 -2.89 -0.03 0.00 0.56 0.00 0.00 36.38 33.86 2k8h s VAL 32 CO 0.11 -0.35 -0.10 0.20 -0.31 0.00 0.00 175.10 174.64 2k8h s ASN 33 N -3.70 1.36 0.57 4.85 0.01 -1.08 -1.25 114.94 115.71 2k8h s ASN 33 Ca 0.32 -0.71 0.31 0.00 -0.71 0.00 0.00 52.86 52.07 2k8h s ASN 33 Cb -0.06 0.00 1.75 0.00 0.41 0.00 0.00 41.25 43.36 2k8h s ASN 33 CO 0.20 -0.21 2.19 0.00 -1.51 0.00 0.00 177.10 177.78 2k8h h ALA 34 N 3.92 1.33 0.00 0.60 0.00 -1.89 -1.01 119.26 122.21 2k8h h ALA 34 Ca -0.38 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 2k8h h ALA 34 Cb 1.19 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2k8h h ALA 34 CO 0.47 0.06 -0.43 0.38 0.00 0.00 0.00 179.25 179.74 2k8h h ASP 35 N 0.00 0.00 0.00 0.00 3.04 -1.95 -3.48 116.42 114.03 2k8h h ASP 35 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2k8h h ASP 35 Cb 0.15 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.44 2k8h h ASP 35 CO 0.01 0.43 0.00 0.61 -2.04 0.00 0.00 179.24 178.24 2k8h n GLY 36 N 0.83 3.46 3.69 7.15 0.00 -0.38 -5.08 105.19 114.85 2k8h n GLY 36 Ca 0.01 -1.04 -0.52 0.00 0.00 0.00 0.00 46.02 44.47 2k8h n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k8h n ALA 37 N 0.00 0.34 -2.71 4.61 0.00 -1.26 -4.55 120.51 116.93 2k8h n ALA 37 Ca 0.00 0.35 -0.09 0.00 0.00 0.00 0.00 53.44 53.70 2k8h n ALA 37 Cb 0.00 -2.35 -0.09 0.00 0.00 0.00 0.00 19.45 17.01 2k8h n ALA 37 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2k8h s GLU 38 N 3.41 0.57 -0.23 0.00 -1.05 -1.26 -2.62 118.70 117.53 2k8h s GLU 38 Ca 0.94 -0.76 -0.20 0.00 -0.15 0.00 0.00 54.97 54.80 2k8h s GLU 38 Cb -0.87 0.22 0.06 0.00 -0.44 0.00 0.00 34.13 33.11 2k8h s GLU 38 CO 0.56 -0.14 0.61 0.00 0.95 0.00 0.00 175.26 177.24 2k8h s MET 39 N -2.59 0.69 0.15 -4.83 0.23 -0.45 -5.01 119.30 107.48 2k8h s MET 39 Ca -0.05 0.89 0.06 0.00 -1.03 0.00 0.00 55.69 55.56 2k8h s MET 39 Cb -0.01 0.30 -0.04 0.00 -1.53 0.00 0.00 34.83 33.55 2k8h s MET 39 CO -0.05 -0.10 -0.14 -0.59 -2.03 0.00 0.00 175.02 172.11 2k8h s PHE 40 N 0.54 1.51 0.02 3.16 -0.71 -1.26 -1.39 117.98 119.85 2k8h s PHE 40 Ca -0.02 -0.57 -0.28 0.00 -1.04 0.00 0.00 56.93 55.03 2k8h s PHE 40 Cb -0.05 -0.76 0.07 0.00 -1.21 0.00 0.00 43.02 41.07 2k8h s PHE 40 CO -0.02 0.20 0.63 -0.06 -1.34 0.00 0.00 175.22 174.63 2k8h s PHE 41 N -2.39 -0.59 -0.28 3.49 0.08 -0.38 -4.98 117.98 112.93 2k8h s PHE 41 Ca 0.13 0.81 -0.19 0.00 0.12 0.00 0.00 56.93 57.80 2k8h s PHE 41 Cb -0.04 0.44 -0.02 0.00 -0.57 0.00 0.00 43.02 42.84 2k8h s PHE 41 CO 0.04 -0.68 0.58 0.50 -0.10 0.00 0.00 175.22 175.56 2k8h s ARG 42 N -2.08 3.99 0.03 0.44 3.52 -1.26 -1.38 118.95 122.21 2k8h s ARG 42 Ca -0.07 0.34 -0.02 0.00 -0.13 0.00 0.00 55.73 55.86 2k8h s ARG 42 Cb -0.00 -3.69 -0.02 0.00 -1.56 0.00 0.00 34.95 29.68 2k8h s ARG 42 CO 0.02 -0.46 -0.00 0.42 -0.81 0.00 0.00 175.30 174.47 2k8h s ILE 43 N 2.47 0.14 0.22 4.11 1.09 -0.51 -4.96 121.20 123.75 2k8h s ILE 43 Ca 0.24 -1.15 -0.31 0.00 -1.10 0.00 0.00 60.65 58.32 2k8h s ILE 43 Cb -0.15 -0.68 -0.14 0.00 -1.06 0.00 0.00 42.46 40.42 2k8h s ILE 43 CO 0.10 -0.63 1.27 0.29 -0.10 0.00 0.00 174.94 175.87 2k8h n LYS 44 N 1.09 1.63 -0.16 2.79 4.76 -1.25 -1.31 118.16 125.71 2k8h n LYS 44 Ca -0.21 0.58 0.09 0.00 -2.87 0.00 0.00 58.31 55.91 2k8h n LYS 44 Cb 0.57 -2.15 0.41 0.00 -1.84 0.00 0.00 35.03 32.03 2k8h n LYS 44 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 2k8h h SER 45 N 3.65 0.55 -0.85 4.39 0.02 -1.82 -0.55 113.55 118.93 2k8h h SER 45 Ca -0.44 0.01 0.24 0.00 -0.84 0.00 0.00 61.79 60.76 2k8h h SER 45 Cb 1.31 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.71 2k8h h SER 45 CO 0.72 0.33 0.61 -0.09 -1.14 0.00 0.00 176.83 177.26 2k8h h ARG 46 N 0.61 0.03 -2.09 3.45 1.12 -1.86 -3.39 114.38 112.25 2k8h h ARG 46 Ca 0.32 -0.00 0.05 0.00 -1.11 0.00 0.00 59.98 59.24 2k8h h ARG 46 Cb 0.44 -0.01 -0.21 0.00 -0.01 0.00 0.00 29.97 30.19 2k8h h ARG 46 CO -0.11 0.02 -0.16 0.99 -3.11 0.00 0.00 179.97 177.60 2k8h s THR 47 N -5.01 -0.89 0.19 0.20 2.01 -0.22 -4.84 115.64 107.09 2k8h s THR 47 Ca -0.05 0.03 0.00 0.00 0.31 0.00 0.00 61.69 61.98 2k8h s THR 47 Cb 0.21 -0.94 0.00 0.00 0.01 0.00 0.00 72.50 71.78 2k8h s THR 47 CO 0.77 0.01 0.00 0.00 -0.69 0.00 0.00 174.62 174.71 2k8h n ALA 48 N 5.38 1.13 0.21 7.40 0.00 -1.25 -3.96 120.51 129.41 2k8h n ALA 48 Ca -0.12 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.37 2k8h n ALA 48 Cb 0.50 0.00 0.46 0.00 0.00 0.00 0.00 19.45 20.41 2k8h n ALA 48 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2k8h h LEU 49 N 0.00 0.00 -0.02 0.00 7.12 -1.89 -0.14 115.31 120.38 2k8h h LEU 49 Ca 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.00 2k8h h LEU 49 Cb 0.00 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.13 2k8h h LEU 49 CO 0.00 0.26 -0.03 0.11 -0.13 0.00 0.00 178.44 178.65 2k8h h LYS 50 N 0.00 0.06 0.00 1.25 1.79 -1.91 -0.76 116.57 117.00 2k8h h LYS 50 Ca -0.00 -0.03 -0.09 0.00 -2.18 0.00 0.00 60.65 58.35 2k8h h LYS 50 Cb 0.48 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.13 2k8h h LYS 50 CO 0.03 0.58 -0.41 0.87 -1.08 0.00 0.00 179.45 179.44 2k8h h LYS 51 N -0.46 0.00 0.15 3.15 1.57 -1.86 -0.72 116.57 118.40 2k8h h LYS 51 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2k8h h LYS 51 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 2k8h h LYS 51 CO 0.01 0.41 -0.07 -0.07 -0.57 0.00 0.00 179.45 179.15 2k8h h LEU 52 N 0.00 -0.17 -1.58 2.94 4.07 -1.01 -2.08 115.31 117.48 2k8h h LEU 52 Ca -0.00 -0.36 -0.05 0.00 0.08 0.00 0.00 57.88 57.55 2k8h h LEU 52 Cb 0.80 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.58 2k8h h LEU 52 CO 0.05 0.40 -0.23 0.16 -1.08 0.00 0.00 178.44 177.75 2k8h h ILE 53 N -0.88 0.95 -0.09 1.22 -0.00 -1.16 -0.03 117.51 117.51 2k8h h ILE 53 Ca -0.02 -0.84 -0.07 0.00 -0.00 0.00 0.00 64.86 63.93 2k8h h ILE 53 Cb 0.52 1.48 0.00 0.00 -0.00 0.00 0.00 36.82 38.82 2k8h h ILE 53 CO 0.03 0.22 -0.22 -0.78 -0.00 0.00 0.00 178.15 177.40 2k8h h ASP 54 N 0.00 0.36 0.39 2.16 3.58 -1.18 -0.30 116.42 121.43 2k8h h ASP 54 Ca -0.00 -0.58 -0.15 0.00 0.42 0.00 0.00 57.03 56.72 2k8h h ASP 54 Cb 0.46 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 2k8h h ASP 54 CO 0.03 0.87 -0.64 0.00 -2.88 0.00 0.00 179.24 176.62 2k8h h THR 55 N -0.14 1.40 -0.08 2.25 1.03 -1.18 -0.79 112.91 115.40 2k8h h THR 55 Ca -0.00 -2.06 -0.14 0.00 -0.01 0.00 0.00 66.41 64.20 2k8h h THR 55 Cb 0.82 2.06 0.01 0.00 -1.07 0.00 0.00 68.15 69.97 2k8h h THR 55 CO 0.05 0.61 -0.49 1.88 -0.01 0.00 0.00 175.52 177.56 2k8h h TYR 56 N 0.17 0.65 -0.29 0.00 0.05 -1.04 -0.83 116.97 115.69 2k8h h TYR 56 Ca -0.01 -0.30 -0.16 0.00 0.05 0.00 0.00 58.73 58.31 2k8h h TYR 56 Cb 1.16 -0.10 -0.00 0.00 1.01 0.00 0.00 36.73 38.80 2k8h h TYR 56 CO 0.02 1.07 -0.47 0.00 -1.05 0.00 0.00 178.16 177.73 2k8h h LYS 58 N 0.62 0.85 -0.15 0.00 1.57 -1.20 -0.30 116.57 117.97 2k8h h LYS 58 Ca 0.03 -0.51 -0.04 0.00 -1.87 0.00 0.00 60.65 58.26 2k8h h LYS 58 Cb 1.05 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.40 2k8h h LYS 58 CO 0.10 1.15 -0.06 0.87 -0.57 0.00 0.00 179.45 180.95 2k8h h LYS 59 N 0.64 0.30 0.00 3.15 1.57 -1.13 -2.77 116.57 118.32 2k8h h LYS 59 Ca 0.03 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2k8h h LYS 59 Cb 1.07 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2k8h h LYS 59 CO 0.11 0.60 0.00 1.96 -0.57 0.00 0.00 179.45 181.55 2k8h h GLN 60 N -0.03 0.00 -0.11 3.15 4.20 -1.22 -3.46 115.11 117.66 2k8h h GLN 60 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2k8h h GLN 60 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 2k8h h GLN 60 CO 0.02 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.59 2k8h n GLY 61 N -0.79 0.59 2.95 3.46 0.00 -0.97 -5.06 105.19 105.37 2k8h n GLY 61 Ca -0.02 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 45.10 2k8h n GLY 61 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k8h s ILE 62 N -2.11 -0.02 1.25 -0.61 -4.36 -0.16 -5.04 121.20 110.16 2k8h s ILE 62 Ca 0.00 0.08 -0.16 0.00 -0.26 0.00 0.00 60.65 60.30 2k8h s ILE 62 Cb 0.00 -0.19 0.29 0.00 1.25 0.00 0.00 42.46 43.81 2k8h s ILE 62 CO 0.00 0.03 0.81 -0.24 0.24 0.00 0.00 174.94 175.79 2k8h n SER 63 N 3.52 -2.55 -2.45 4.36 2.88 -1.26 -4.20 113.62 113.91 2k8h n SER 63 Ca -0.18 -0.37 -0.23 0.00 -1.33 0.00 0.00 58.87 56.76 2k8h n SER 63 Cb 0.56 -1.13 -0.10 0.00 -0.75 0.00 0.00 64.21 62.79 2k8h n SER 63 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2k8h n ARG 64 N -4.71 2.56 -1.37 -1.46 3.00 -1.26 -4.06 116.66 109.35 2k8h n ARG 64 Ca 0.05 -1.88 0.04 0.00 -0.01 0.00 0.00 57.85 56.05 2k8h n ARG 64 Cb 0.56 -2.19 0.05 0.00 0.00 0.00 0.00 32.46 30.88 2k8h n ARG 64 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2k8h n ASN 65 N 1.86 1.14 -0.93 0.55 5.15 -1.26 -4.79 115.26 116.98 2k8h n ASN 65 Ca 0.50 -2.33 -0.02 0.00 -0.60 0.00 0.00 54.58 52.14 2k8h n ASN 65 Cb 0.65 -0.34 -0.02 0.00 -0.53 0.00 0.00 39.78 39.53 2k8h n ASN 65 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2k8h n SER 66 N 0.20 -0.12 -3.61 1.20 2.88 -1.26 -4.94 113.62 107.98 2k8h n SER 66 Ca 0.08 -1.77 -0.07 0.00 -1.33 0.00 0.00 58.87 55.78 2k8h n SER 66 Cb 1.07 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 64.45 2k8h n SER 66 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2k8h s VAL 67 N 0.00 -0.72 -0.42 2.46 -7.23 -1.26 -4.78 120.40 108.45 2k8h s VAL 67 Ca 0.09 0.11 -0.14 0.00 -1.81 0.00 0.00 61.98 60.23 2k8h s VAL 67 Cb 0.10 -0.75 0.03 0.00 0.56 0.00 0.00 36.38 36.32 2k8h s VAL 67 CO -0.04 0.04 0.30 -0.60 -0.31 0.00 0.00 175.10 174.49 2k8h s ARG 68 N 2.67 2.93 -0.48 4.82 6.06 -0.52 -4.89 118.95 129.53 2k8h s ARG 68 Ca -0.01 -1.12 -0.20 0.00 -2.50 0.00 0.00 55.73 51.90 2k8h s ARG 68 Cb -0.12 -3.96 0.04 0.00 0.06 0.00 0.00 34.95 30.97 2k8h s ARG 68 CO -0.14 -0.81 0.66 -0.06 -2.50 0.00 0.00 175.30 172.45 2k8h s PHE 69 N 1.64 3.03 0.09 5.12 0.08 -1.26 -1.34 117.98 125.34 2k8h s PHE 69 Ca 0.04 -0.28 0.06 0.00 0.12 0.00 0.00 56.93 56.87 2k8h s PHE 69 Cb -0.20 -3.49 -0.04 0.00 -0.57 0.00 0.00 43.02 38.72 2k8h s PHE 69 CO 0.08 -0.99 -0.09 -0.48 -0.10 0.00 0.00 175.22 173.64 2k8h s LEU 70 N 2.83 3.07 -0.27 -0.37 0.05 -1.14 -1.03 118.68 121.82 2k8h s LEU 70 Ca 0.20 -0.34 0.02 0.00 0.05 0.00 0.00 54.13 54.05 2k8h s LEU 70 Cb -0.16 -1.85 0.07 0.00 -2.05 0.00 0.00 46.19 42.20 2k8h s LEU 70 CO 0.16 0.19 -0.04 0.12 -0.55 0.00 0.00 176.35 176.23 2k8h s PHE 71 N -1.18 2.87 -2.04 3.48 5.36 -0.41 -1.19 117.98 124.88 2k8h s PHE 71 Ca 0.21 -2.16 0.00 0.00 -0.96 0.00 0.00 56.93 54.02 2k8h s PHE 71 Cb -0.11 -1.94 0.00 0.00 -0.34 0.00 0.00 43.02 40.63 2k8h s PHE 71 CO 0.13 -0.85 0.00 -3.47 -1.46 0.00 0.00 175.22 169.57 2k8h n ASP 72 N 4.53 -5.27 0.00 6.13 2.03 -1.26 -1.12 116.55 121.59 2k8h n ASP 72 Ca -0.09 0.42 0.00 0.00 0.52 0.00 0.00 54.79 55.64 2k8h n ASP 72 Cb 0.43 -4.63 0.00 0.00 -0.72 0.00 0.00 41.12 36.19 2k8h n ASP 72 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k8h n GLY 73 N -0.46 1.11 3.16 0.27 0.00 -1.26 -4.90 105.19 103.11 2k8h n GLY 73 Ca -0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 2k8h n GLY 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k8h s THR 74 N -2.00 4.41 -0.70 2.61 -4.23 -0.28 -4.48 115.64 110.98 2k8h s THR 74 Ca 0.00 -3.09 -0.26 0.00 -1.18 0.00 0.00 61.69 57.16 2k8h s THR 74 Cb 0.00 -3.79 -0.03 0.00 1.34 0.00 0.00 72.50 70.03 2k8h s THR 74 CO 0.00 -0.98 1.89 -2.16 -0.54 0.00 0.00 174.62 172.83 2k8h s PRO 75 N -0.38 2.60 -0.06 3.99 0.04 -1.26 -1.28 135.00 138.65 2k8h s PRO 75 Ca 0.20 0.35 -0.10 0.00 0.04 0.00 0.00 61.00 61.49 2k8h s PRO 75 Cb -0.14 -4.59 0.02 0.00 0.04 0.00 0.00 34.50 29.83 2k8h s PRO 75 CO -0.07 -2.92 0.24 0.42 0.04 0.00 0.00 177.00 174.71 2k8h s ILE 76 N 9.37 0.03 -0.51 0.56 1.01 -0.20 -4.93 121.20 126.53 2k8h s ILE 76 Ca 0.68 -0.27 0.01 0.00 0.00 0.00 0.00 60.65 61.08 2k8h s ILE 76 Cb -0.11 -0.44 0.13 0.00 0.01 0.00 0.00 42.46 42.05 2k8h s ILE 76 CO 0.14 -0.15 0.27 1.51 0.00 0.00 0.00 174.94 176.72 2k8h s ASP 77 N -0.55 4.76 -0.11 3.58 -4.77 -1.26 -4.52 116.67 113.80 2k8h s ASP 77 Ca -0.06 -2.73 -0.33 0.00 -3.30 0.00 0.00 52.55 46.12 2k8h s ASP 77 Cb -0.04 -1.72 0.15 0.00 -1.09 0.00 0.00 42.92 40.22 2k8h s ASP 77 CO 0.02 -0.33 1.40 -1.61 0.70 0.00 0.00 175.17 175.35 2k8h s GLU 78 N 0.11 0.09 -0.06 2.11 2.02 -1.26 -5.02 118.70 116.68 2k8h s GLU 78 Ca 0.15 -0.05 0.14 0.00 0.02 0.00 0.00 54.97 55.24 2k8h s GLU 78 Cb -0.23 0.03 0.46 0.00 0.10 0.00 0.00 34.13 34.50 2k8h s GLU 78 CO -0.03 -0.04 1.39 -2.37 0.02 0.00 0.00 175.26 174.23 2k8h n THR 79 N -0.42 1.47 -0.01 3.63 5.66 -1.26 -4.40 114.28 118.95 2k8h n THR 79 Ca -0.07 -1.25 -0.01 0.00 -3.05 0.00 0.00 64.05 59.67 2k8h n THR 79 Cb 0.63 0.25 -0.01 0.00 -1.55 0.00 0.00 70.33 69.64 2k8h n THR 79 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2k8h n LYS 80 N 0.46 2.01 0.30 1.09 4.01 -1.26 -4.32 118.16 120.45 2k8h n LYS 80 Ca 0.18 0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.86 2k8h n LYS 80 Cb 0.64 -1.03 -0.06 0.00 -0.51 0.00 0.00 35.03 34.07 2k8h n LYS 80 CO 0.00 0.00 0.00 1.79 -1.11 0.00 0.00 177.40 178.08 2k8h h THR 81 N 0.00 0.00 0.00 -0.18 1.35 -1.97 -1.16 112.91 110.95 2k8h h THR 81 Ca -0.04 -0.32 -0.04 0.00 -0.55 0.00 0.00 66.41 65.47 2k8h h THR 81 Cb 1.07 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.49 2k8h h THR 81 CO -0.00 0.00 -0.17 1.55 -0.25 0.00 0.00 175.52 176.65 2k8h h PRO 82 N -1.12 0.00 -0.00 4.72 0.13 -1.88 -0.87 132.00 132.98 2k8h h PRO 82 Ca -0.08 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.01 2k8h h PRO 82 Cb 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.75 2k8h h PRO 82 CO 0.13 0.17 -0.16 1.49 -0.23 0.00 0.00 178.00 179.41 2k8h h GLU 83 N 0.00 0.12 -0.08 0.86 4.22 -1.75 -0.24 114.58 117.71 2k8h h GLU 83 Ca -0.00 -0.12 -0.18 0.00 0.08 0.00 0.00 59.36 59.14 2k8h h GLU 83 Cb 0.62 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2k8h h GLU 83 CO 0.02 0.86 -0.70 1.49 -2.18 0.00 0.00 179.01 178.50 2k8h h GLU 84 N -0.58 0.39 -0.01 1.92 4.22 -1.18 0.27 114.58 119.62 2k8h h GLU 84 Ca -0.02 -0.31 -0.20 0.00 0.08 0.00 0.00 59.36 58.91 2k8h h GLU 84 Cb 0.91 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2k8h h GLU 84 CO 0.03 0.94 -0.87 1.25 -2.18 0.00 0.00 179.01 178.19 2k8h h LEU 85 N 0.27 0.36 0.00 1.64 5.85 -1.25 -3.37 115.31 118.81 2k8h h LEU 85 Ca -0.02 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 2k8h h LEU 85 Cb 1.26 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 2k8h h LEU 85 CO 0.12 1.07 -0.43 1.23 -0.34 0.00 0.00 178.44 180.09 2k8h h GLY 86 N 1.59 0.00 -5.02 3.75 0.00 -1.01 -3.49 103.07 98.89 2k8h h GLY 86 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.00 2k8h h GLY 86 CO 0.14 0.00 -0.63 1.03 0.00 0.00 0.00 176.54 177.08 2k8h n MET 87 N -4.64 -5.65 -3.67 4.80 2.81 0.95 -5.02 117.12 106.70 2k8h n MET 87 Ca -0.08 0.70 -0.10 0.00 -1.81 0.00 0.00 57.70 56.41 2k8h n MET 87 Cb 0.25 -5.29 -0.04 0.00 -0.71 0.00 0.00 33.22 27.43 2k8h n MET 87 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2k8h s GLU 88 N -5.27 1.27 -0.12 0.03 2.12 -1.26 -5.03 118.70 110.44 2k8h s GLU 88 Ca 0.07 -0.77 0.07 0.00 0.36 0.00 0.00 54.97 54.70 2k8h s GLU 88 Cb -0.03 0.51 0.40 0.00 0.26 0.00 0.00 34.13 35.28 2k8h s GLU 88 CO 0.60 -0.53 1.14 -0.40 -0.54 0.00 0.00 175.26 175.53 2k8h n ASP 89 N -0.31 3.36 -2.36 -1.70 5.68 -1.26 -4.04 116.55 115.92 2k8h n ASP 89 Ca -0.13 -2.48 -0.18 0.00 -0.50 0.00 0.00 54.79 51.50 2k8h n ASP 89 Cb 0.63 -0.60 0.02 0.00 -1.14 0.00 0.00 41.12 40.04 2k8h n ASP 89 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2k8h n ASP 90 N 0.28 3.84 -4.61 -1.12 8.00 -1.20 -1.16 116.55 120.59 2k8h n ASP 90 Ca 0.15 -3.29 -0.43 0.00 0.71 0.00 0.00 54.79 51.93 2k8h n ASP 90 Cb 0.74 -0.42 -0.02 0.00 -0.02 0.00 0.00 41.12 41.40 2k8h n ASP 90 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2k8h s ASP 91 N -3.58 6.42 0.08 -2.24 2.15 -0.59 -4.91 116.67 114.00 2k8h s ASP 91 Ca 0.43 0.93 0.04 0.00 0.43 0.00 0.00 52.55 54.38 2k8h s ASP 91 Cb 0.39 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 40.44 2k8h s ASP 91 CO -0.03 -1.35 0.02 0.68 -0.17 0.00 0.00 175.17 174.32 2k8h s VAL 92 N 5.17 4.17 -0.13 1.11 -7.23 -1.26 -1.25 120.40 120.98 2k8h s VAL 92 Ca 0.60 -0.88 -0.05 0.00 -1.81 0.00 0.00 61.98 59.84 2k8h s VAL 92 Cb -0.15 -2.98 0.06 0.00 0.56 0.00 0.00 36.38 33.88 2k8h s VAL 92 CO 0.30 0.15 0.27 0.27 -0.31 0.00 0.00 175.10 175.79 2k8h s ILE 93 N -1.30 -0.31 -0.37 -0.62 -4.36 -0.53 -4.28 121.20 109.43 2k8h s ILE 93 Ca 0.26 0.23 -0.13 0.00 -0.26 0.00 0.00 60.65 60.75 2k8h s ILE 93 Cb -0.12 -0.44 0.01 0.00 1.25 0.00 0.00 42.46 43.16 2k8h s ILE 93 CO 0.18 0.10 0.24 -0.62 0.24 0.00 0.00 174.94 175.08 2k8h s ASP 94 N 2.07 5.94 -0.26 4.36 -1.08 -0.33 -1.35 116.67 126.01 2k8h s ASP 94 Ca -0.02 -0.75 -0.29 0.00 -0.52 0.00 0.00 52.55 50.97 2k8h s ASP 94 Cb -0.11 -2.10 0.01 0.00 -1.46 0.00 0.00 42.92 39.25 2k8h s ASP 94 CO -0.09 -0.35 1.14 0.00 0.52 0.00 0.00 175.17 176.39 2k8h s ALA 95 N 1.65 3.57 0.18 3.66 0.00 -0.38 -2.87 121.76 127.58 2k8h s ALA 95 Ca 0.05 0.15 0.11 0.00 0.00 0.00 0.00 51.96 52.26 2k8h s ALA 95 Cb -0.18 -3.64 -0.04 0.00 0.00 0.00 0.00 23.12 19.25 2k8h s ALA 95 CO 0.09 -1.32 -0.23 -1.64 0.00 0.00 0.00 175.76 172.66 2k8h s MET 96 N 3.55 1.45 -0.51 0.00 -1.94 -0.45 -4.01 119.30 117.40 2k8h s MET 96 Ca 0.49 -1.48 -0.26 0.00 -1.71 0.00 0.00 55.69 52.72 2k8h s MET 96 Cb -0.16 -1.73 0.03 0.00 2.01 0.00 0.00 34.83 34.98 2k8h s MET 96 CO 0.13 0.37 1.02 0.08 -0.01 0.00 0.00 175.02 176.62 2k8h s VAL 97 N -1.70 4.31 -0.31 -6.03 1.01 -1.26 -1.44 120.40 114.98 2k8h s VAL 97 Ca 0.19 0.74 0.17 0.00 0.00 0.00 0.00 61.98 63.08 2k8h s VAL 97 Cb -0.08 -4.55 0.48 0.00 0.00 0.00 0.00 36.38 32.23 2k8h s VAL 97 CO 0.09 -1.04 1.07 -0.62 0.00 0.00 0.00 175.10 174.60 2k8h n GLU 98 N 7.62 2.08 -1.13 2.72 1.02 -1.26 -4.88 120.64 126.80 2k8h n GLU 98 Ca 0.07 -3.66 -0.26 0.00 -0.02 0.00 0.00 57.16 53.28 2k8h n GLU 98 Cb 0.48 -1.69 0.09 0.00 -0.02 0.00 0.00 31.44 30.31 2k8h n GLU 98 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2k8h n GLN 99 N -0.44 2.28 -2.31 3.49 7.27 -1.26 -4.98 117.38 121.43 2k8h n GLN 99 Ca 0.18 -2.63 -0.41 0.00 0.07 0.00 0.00 57.00 54.21 2k8h n GLN 99 Cb 0.82 -2.03 -0.03 0.00 2.41 0.00 0.00 30.24 31.40 2k8h n GLN 99 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 2k8h s THR 100 N -3.60 3.31 0.00 1.69 -4.23 -1.26 -4.96 115.64 106.60 2k8h s THR 100 Ca 0.51 1.17 0.00 0.00 -1.18 0.00 0.00 61.69 62.20 2k8h s THR 100 Cb 0.41 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 70.50 2k8h s THR 100 CO 0.02 0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.93 2k8h n GLY 101 N 1.78 3.23 0.00 3.99 0.00 -1.26 -5.29 105.19 107.63 2k8h n GLY 101 Ca 0.03 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.62 2k8h n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93