#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8h s SER 2 N 0.00 -0.14 -0.30 7.83 0.01 -1.26 -5.17 113.70 114.68 2k8h s SER 2 Ca 0.00 -0.57 -0.16 0.00 1.31 0.00 0.00 55.95 56.53 2k8h s SER 2 Cb 0.00 0.49 0.18 0.00 0.21 0.00 0.00 66.02 66.91 2k8h s SER 2 CO 0.00 -0.94 1.15 0.21 0.41 0.00 0.00 173.24 174.07 2k8h s ASN 3 N -2.88 -0.25 0.09 2.44 2.47 -1.26 -5.19 114.94 110.36 2k8h s ASN 3 Ca 0.10 0.39 -0.02 0.00 0.42 0.00 0.00 52.86 53.75 2k8h s ASN 3 Cb 0.01 1.13 0.01 0.00 -1.45 0.00 0.00 41.25 40.95 2k8h s ASN 3 CO -0.05 -0.06 0.14 -0.46 -3.72 0.00 0.00 177.10 172.95 2k8h n ASN 4 N 3.50 -0.41 0.00 -4.21 6.94 -1.26 -5.18 115.26 114.64 2k8h n ASN 4 Ca -0.17 -1.41 0.00 0.00 -0.02 0.00 0.00 54.58 52.99 2k8h n ASN 4 Cb 0.56 0.71 0.00 0.00 -2.36 0.00 0.00 39.78 38.70 2k8h n ASN 4 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k8h n GLY 5 N -0.13 -0.87 0.00 4.83 0.00 -1.26 -5.17 105.19 102.60 2k8h n GLY 5 Ca -0.01 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.63 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 1.52 3.97 -0.02 0.00 -1.26 -5.17 105.19 104.22 2k8h n GLY 6 Ca 0.00 0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.01 3.42 1.18 1.61 2.02 -1.26 -5.11 118.70 119.54 2k8h s GLU 7 Ca 0.00 -0.68 -0.18 0.00 0.02 0.00 0.00 54.97 54.13 2k8h s GLU 7 Cb 0.00 -2.83 0.27 0.00 0.10 0.00 0.00 34.13 31.68 2k8h s GLU 7 CO 0.00 0.32 1.11 -1.25 0.02 0.00 0.00 175.26 175.46 2k8h s PRO 8 N -4.08 -1.01 -0.40 0.39 0.04 -1.26 -5.07 135.00 123.60 2k8h s PRO 8 Ca 0.36 0.01 0.05 0.00 0.04 0.00 0.00 61.00 61.46 2k8h s PRO 8 Cb -0.09 -1.61 0.18 0.00 0.04 0.00 0.00 34.50 33.02 2k8h s PRO 8 CO 0.31 -3.59 0.72 -1.54 0.04 0.00 0.00 177.00 172.94 2k8h s SER 9 N -3.83 -1.29 0.46 6.66 1.04 -1.26 -5.16 113.70 110.32 2k8h s SER 9 Ca 0.70 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 56.42 2k8h s SER 9 Cb -0.11 1.66 0.04 0.00 0.10 0.00 0.00 66.02 67.70 2k8h s SER 9 CO 0.56 -0.14 0.26 -3.20 0.98 0.00 0.00 173.24 171.71 2k8h n ASN 10 N 4.19 0.37 -2.50 7.02 5.15 -1.26 -4.92 115.26 123.30 2k8h n ASN 10 Ca 0.10 -1.31 -0.05 0.00 -0.60 0.00 0.00 54.58 52.73 2k8h n ASN 10 Cb 0.58 -0.17 -0.04 0.00 -0.53 0.00 0.00 39.78 39.62 2k8h n ASN 10 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2k8h n ASN 11 N -2.97 -0.59 -0.05 1.20 3.02 -1.26 -5.03 115.26 109.58 2k8h n ASN 11 Ca 0.04 1.23 -0.10 0.00 -0.03 0.00 0.00 54.58 55.72 2k8h n ASN 11 Cb 0.16 -4.90 -0.04 0.00 -0.61 0.00 0.00 39.78 34.38 2k8h n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k8h n GLY 12 N 1.53 -0.16 0.00 7.41 0.00 -1.26 -5.07 105.19 107.63 2k8h n GLY 12 Ca -0.38 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 2.59 -0.52 3.74 -0.02 0.00 -1.26 -5.19 105.19 104.54 2k8h n GLY 13 Ca -0.20 0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 2k8h n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k8h s GLU 14 N 0.00 2.16 0.00 1.61 2.02 -1.26 -5.15 118.70 118.08 2k8h s GLU 14 Ca 0.00 -2.36 0.00 0.00 0.02 0.00 0.00 54.97 52.63 2k8h s GLU 14 Cb 0.00 -1.55 0.00 0.00 0.10 0.00 0.00 34.13 32.68 2k8h s GLU 14 CO 0.00 -0.32 0.00 0.41 0.02 0.00 0.00 175.26 175.37 2k8h n GLY 15 N -1.23 3.08 3.90 -1.39 0.00 -1.26 -5.03 105.19 103.27 2k8h n GLY 15 Ca -0.17 0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.27 4.38 -0.00 4.61 0.00 -1.26 -5.12 121.76 124.10 2k8h s ALA 16 Ca 0.00 -1.44 -0.09 0.00 0.00 0.00 0.00 51.96 50.42 2k8h s ALA 16 Cb 0.00 -0.81 0.01 0.00 0.00 0.00 0.00 23.12 22.32 2k8h s ALA 16 CO 0.00 -0.45 0.18 -2.00 0.00 0.00 0.00 175.76 173.50 2k8h s GLU 17 N -4.28 0.53 0.00 0.00 -6.30 -1.26 -4.79 118.70 102.59 2k8h s GLU 17 Ca 0.38 -0.34 0.00 0.00 -2.50 0.00 0.00 54.97 52.51 2k8h s GLU 17 Cb -0.02 0.23 0.00 0.00 0.00 0.00 0.00 34.13 34.33 2k8h s GLU 17 CO 0.23 -0.13 0.00 0.41 0.02 0.00 0.00 175.26 175.79 2k8h n GLY 18 N 1.41 3.33 1.73 -1.50 0.00 -1.26 -5.07 105.19 103.83 2k8h n GLY 18 Ca -0.22 -0.16 -0.01 0.00 0.00 0.00 0.00 46.02 45.63 2k8h n GLY 18 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k8h n THR 19 N 0.00 0.21 -2.32 2.61 -1.04 -1.26 -5.05 114.28 107.43 2k8h n THR 19 Ca 0.00 -1.02 -0.11 0.00 -2.04 0.00 0.00 64.05 60.88 2k8h n THR 19 Cb 0.00 0.90 0.06 0.00 -1.82 0.00 0.00 70.33 69.47 2k8h n THR 19 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k8h s LYS 21 N -3.69 2.93 0.24 0.00 2.36 -1.26 -4.93 119.74 115.40 2k8h s LYS 21 Ca 0.31 -0.02 -0.02 0.00 -2.55 0.00 0.00 55.97 53.68 2k8h s LYS 21 Cb -0.02 -4.52 -0.03 0.00 -1.05 0.00 0.00 37.83 32.22 2k8h s LYS 21 CO 0.20 -2.55 0.25 -1.83 1.55 0.00 0.00 175.35 172.98 2k8h s GLU 22 N 6.33 1.41 -0.53 4.03 -1.05 -1.26 -5.07 118.70 122.56 2k8h s GLU 22 Ca 0.53 -1.63 0.03 0.00 -0.15 0.00 0.00 54.97 53.76 2k8h s GLU 22 Cb -0.09 0.33 0.42 0.00 -0.44 0.00 0.00 34.13 34.35 2k8h s GLU 22 CO 0.12 -0.51 1.45 0.39 0.95 0.00 0.00 175.26 177.65 2k8h n GLU 23 N -0.37 3.23 -4.12 -4.83 1.02 -1.26 -5.01 120.64 109.30 2k8h n GLU 23 Ca 0.02 -4.07 -0.08 0.00 -0.02 0.00 0.00 57.16 53.01 2k8h n GLU 23 Cb 0.64 -2.27 -0.10 0.00 -0.02 0.00 0.00 31.44 29.70 2k8h n GLU 23 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2k8h s THR 24 N -5.15 0.16 -0.30 2.62 -1.32 -1.26 -5.15 115.64 105.24 2k8h s THR 24 Ca 0.52 -1.85 -0.09 0.00 -1.21 0.00 0.00 61.69 59.05 2k8h s THR 24 Cb 0.42 -1.77 0.17 0.00 -1.51 0.00 0.00 72.50 69.81 2k8h s THR 24 CO -0.17 -0.74 0.79 0.00 -2.21 0.00 0.00 174.62 172.29 2k8h s ALA 25 N -3.98 -2.53 -0.12 11.08 0.00 -1.26 -5.00 121.76 119.95 2k8h s ALA 25 Ca 0.15 1.96 -0.04 0.00 0.00 0.00 0.00 51.96 54.03 2k8h s ALA 25 Cb 0.08 -2.10 0.05 0.00 0.00 0.00 0.00 23.12 21.15 2k8h s ALA 25 CO -0.04 -1.15 0.07 -0.51 0.00 0.00 0.00 175.76 174.12 2k8h s LEU 26 N 2.78 0.35 -0.04 0.00 1.02 -1.26 -3.00 118.68 118.53 2k8h s LEU 26 Ca 0.04 -0.36 -0.07 0.00 0.02 0.00 0.00 54.13 53.76 2k8h s LEU 26 Cb -0.11 -0.24 0.01 0.00 0.02 0.00 0.00 46.19 45.87 2k8h s LEU 26 CO -0.18 -0.30 0.18 0.68 0.02 0.00 0.00 176.35 176.75 2k8h s VAL 27 N 2.12 0.03 -0.05 -1.59 -7.23 -0.64 -4.72 120.40 108.33 2k8h s VAL 27 Ca 0.03 -0.28 -0.02 0.00 -1.81 0.00 0.00 61.98 59.90 2k8h s VAL 27 Cb -0.14 -0.35 -0.04 0.00 0.56 0.00 0.00 36.38 36.41 2k8h s VAL 27 CO -0.07 -0.15 0.05 0.00 -0.31 0.00 0.00 175.10 174.62 2k8h s ALA 28 N -0.52 3.49 0.07 1.32 0.00 -0.15 -1.43 121.76 124.54 2k8h s ALA 28 Ca -0.06 -0.82 0.08 0.00 0.00 0.00 0.00 51.96 51.16 2k8h s ALA 28 Cb -0.04 -1.58 -0.03 0.00 0.00 0.00 0.00 23.12 21.47 2k8h s ALA 28 CO 0.01 0.64 -0.21 0.54 0.00 0.00 0.00 175.76 176.73 2k8h s VAL 29 N -1.04 1.71 -0.17 0.00 0.11 -0.46 -1.73 120.40 118.81 2k8h s VAL 29 Ca 0.18 -1.35 -0.03 0.00 -2.93 0.00 0.00 61.98 57.85 2k8h s VAL 29 Cb -0.12 -1.51 0.05 0.00 -1.53 0.00 0.00 36.38 33.27 2k8h s VAL 29 CO 0.07 0.10 0.03 -0.75 -3.33 0.00 0.00 175.10 171.23 2k8h s LYS 30 N -1.48 0.67 -0.22 1.54 2.20 -0.26 -1.27 119.74 120.92 2k8h s LYS 30 Ca 0.07 -0.34 -0.16 0.00 -0.36 0.00 0.00 55.97 55.19 2k8h s LYS 30 Cb -0.09 -1.93 -0.04 0.00 -1.51 0.00 0.00 37.83 34.26 2k8h s LYS 30 CO 0.03 -0.58 0.39 0.08 -0.36 0.00 0.00 175.35 174.91 2k8h s VAL 31 N 1.87 5.19 0.22 4.02 1.01 -0.44 -1.49 120.40 130.78 2k8h s VAL 31 Ca 0.00 0.68 0.10 0.00 0.00 0.00 0.00 61.98 62.76 2k8h s VAL 31 Cb -0.16 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 2k8h s VAL 31 CO -0.08 0.23 -0.15 0.68 0.00 0.00 0.00 175.10 175.78 2k8h s VAL 32 N 1.49 2.80 0.08 2.92 -7.23 -0.39 -1.30 120.40 118.78 2k8h s VAL 32 Ca 0.18 -1.97 0.04 0.00 -1.81 0.00 0.00 61.98 58.42 2k8h s VAL 32 Cb -0.15 -2.41 -0.03 0.00 0.56 0.00 0.00 36.38 34.35 2k8h s VAL 32 CO 0.08 -0.21 -0.11 0.20 -0.31 0.00 0.00 175.10 174.75 2k8h s ASN 33 N -3.03 1.48 0.56 4.85 -0.87 -1.02 -1.32 114.94 115.59 2k8h s ASN 33 Ca 0.25 -0.72 0.32 0.00 -1.57 0.00 0.00 52.86 51.14 2k8h s ASN 33 Cb -0.07 -0.01 1.64 0.00 -0.02 0.00 0.00 41.25 42.78 2k8h s ASN 33 CO 0.14 -0.19 2.12 0.00 -2.57 0.00 0.00 177.10 176.60 2k8h h ALA 34 N 3.89 1.19 0.00 0.60 0.00 -1.89 -1.74 119.26 121.30 2k8h h ALA 34 Ca -0.38 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.35 2k8h h ALA 34 Cb 1.19 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2k8h h ALA 34 CO 0.47 0.09 -0.62 0.38 0.00 0.00 0.00 179.25 179.57 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 0.29 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.58 2k8h h ASP 35 CO 0.01 0.50 0.00 0.61 -2.04 0.00 0.00 179.24 178.32 2k8h n GLY 36 N 1.24 2.61 3.52 7.15 0.00 -0.66 -5.08 105.19 113.99 2k8h n GLY 36 Ca 0.00 -0.65 -0.51 0.00 0.00 0.00 0.00 46.02 44.86 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 0.91 -2.48 4.61 0.00 -1.26 -4.57 120.51 117.72 2k8h n ALA 37 Ca 0.00 0.04 -0.09 0.00 0.00 0.00 0.00 53.44 53.40 2k8h n ALA 37 Cb 0.00 -2.51 -0.08 0.00 0.00 0.00 0.00 19.45 16.86 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 5.55 0.83 -0.28 0.00 -1.05 -1.26 -2.43 118.70 120.07 2k8h s GLU 38 Ca 1.05 -1.03 -0.22 0.00 -0.15 0.00 0.00 54.97 54.62 2k8h s GLU 38 Cb -0.84 0.32 0.12 0.00 -0.44 0.00 0.00 34.13 33.28 2k8h s GLU 38 CO 0.51 -0.25 0.95 0.00 0.95 0.00 0.00 175.26 177.42 2k8h s MET 39 N -3.88 0.54 0.05 -4.83 0.23 -0.42 -5.01 119.30 105.98 2k8h s MET 39 Ca 0.07 0.72 0.06 0.00 -1.03 0.00 0.00 55.69 55.51 2k8h s MET 39 Cb 0.05 0.22 -0.03 0.00 -1.53 0.00 0.00 34.83 33.55 2k8h s MET 39 CO -0.10 -0.08 -0.17 -0.59 -2.03 0.00 0.00 175.02 172.06 2k8h s PHE 40 N 0.60 1.44 0.17 3.16 -0.71 -1.26 -1.32 117.98 120.06 2k8h s PHE 40 Ca -0.01 -0.38 -0.22 0.00 -1.04 0.00 0.00 56.93 55.28 2k8h s PHE 40 Cb -0.05 -0.84 0.06 0.00 -1.21 0.00 0.00 43.02 40.99 2k8h s PHE 40 CO -0.08 0.08 0.60 0.12 -1.34 0.00 0.00 175.22 174.59 2k8h s PHE 41 N -0.95 -0.46 -0.05 3.49 5.36 -0.40 -4.99 117.98 119.98 2k8h s PHE 41 Ca 0.03 0.21 -0.10 0.00 -0.96 0.00 0.00 56.93 56.11 2k8h s PHE 41 Cb -0.09 0.55 -0.05 0.00 -0.34 0.00 0.00 43.02 43.09 2k8h s PHE 41 CO 0.02 -0.89 0.27 0.50 -1.46 0.00 0.00 175.22 173.66 2k8h s ARG 42 N -3.78 3.66 0.17 10.12 3.52 -1.26 -1.36 118.95 130.02 2k8h s ARG 42 Ca 0.03 0.11 -0.23 0.00 -0.13 0.00 0.00 55.73 55.50 2k8h s ARG 42 Cb -0.01 -3.19 0.06 0.00 -1.56 0.00 0.00 34.95 30.25 2k8h s ARG 42 CO -0.10 0.73 0.63 -1.50 -0.81 0.00 0.00 175.30 174.24 2k8h s ILE 43 N -1.08 0.00 0.22 4.11 2.07 -0.51 -4.98 121.20 121.02 2k8h s ILE 43 Ca 0.20 -0.14 -0.32 0.00 -1.41 0.00 0.00 60.65 58.98 2k8h s ILE 43 Cb -0.14 -1.14 -0.13 0.00 0.13 0.00 0.00 42.46 41.17 2k8h s ILE 43 CO 0.09 0.00 1.51 0.29 -1.91 0.00 0.00 174.94 174.92 2k8h n LYS 44 N -0.39 2.21 0.27 3.50 4.76 -1.26 -1.61 118.16 125.64 2k8h n LYS 44 Ca -0.15 0.79 0.18 0.00 -2.87 0.00 0.00 58.31 56.26 2k8h n LYS 44 Cb 0.64 -2.52 0.93 0.00 -1.84 0.00 0.00 35.03 32.25 2k8h n LYS 44 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2k8h h SER 45 N 5.03 0.00 0.39 4.39 4.64 -1.81 0.72 113.55 126.92 2k8h h SER 45 Ca -0.45 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2k8h h SER 45 Cb 1.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2k8h h SER 45 CO 0.82 0.00 -0.00 -0.09 -0.87 0.00 0.00 176.83 176.69 2k8h h ARG 46 N 0.00 0.00 -1.84 4.77 9.65 -1.85 -3.42 114.38 121.69 2k8h h ARG 46 Ca 0.04 0.00 0.09 0.00 -1.10 0.00 0.00 59.98 59.01 2k8h h ARG 46 Cb 0.31 0.00 -0.21 0.00 -1.39 0.00 0.00 29.97 28.68 2k8h h ARG 46 CO -0.00 0.00 -0.04 0.99 2.80 0.00 0.00 179.97 183.72 2k8h s THR 47 N -3.97 -0.75 0.38 0.20 2.01 0.25 -4.90 115.64 108.85 2k8h s THR 47 Ca -0.03 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.97 2k8h s THR 47 Cb 0.11 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.62 2k8h s THR 47 CO 0.46 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.39 2k8h n ALA 48 N 5.17 1.28 0.28 7.40 0.00 -1.26 -4.06 120.51 129.32 2k8h n ALA 48 Ca -0.13 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.45 2k8h n ALA 48 Cb 0.51 0.00 0.81 0.00 0.00 0.00 0.00 19.45 20.77 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 0.47 0.00 7.12 -1.94 -0.42 115.31 120.54 2k8h h LEU 49 Ca 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.99 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 0.08 -0.22 0.11 -0.13 0.00 0.00 178.44 178.27 2k8h h LYS 50 N 0.00 -0.60 0.00 1.25 1.79 -1.90 -1.11 116.57 115.99 2k8h h LYS 50 Ca -0.00 0.04 -0.10 0.00 -2.18 0.00 0.00 60.65 58.41 2k8h h LYS 50 Cb 0.23 0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 2k8h h LYS 50 CO 0.01 -0.30 -0.47 0.87 -1.08 0.00 0.00 179.45 178.47 2k8h h LYS 51 N -0.90 0.00 0.25 3.15 6.56 -1.87 -0.76 116.57 123.01 2k8h h LYS 51 Ca -0.06 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.51 2k8h h LYS 51 Cb 0.58 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.24 2k8h h LYS 51 CO 0.11 0.47 -0.12 -0.07 -2.06 0.00 0.00 179.45 177.78 2k8h h LEU 52 N 0.00 -0.28 -0.63 2.94 -0.00 -1.04 0.30 115.31 116.59 2k8h h LEU 52 Ca -0.00 -0.18 -0.15 0.00 -0.00 0.00 0.00 57.88 57.55 2k8h h LEU 52 Cb 0.95 0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 41.67 2k8h h LEU 52 CO 0.06 0.03 -0.65 -0.29 -0.00 0.00 0.00 178.44 177.59 2k8h h ILE 53 N -0.62 1.43 -0.21 1.22 2.10 -1.22 -0.91 117.51 119.29 2k8h h ILE 53 Ca -0.03 -2.13 -0.15 0.00 1.08 0.00 0.00 64.86 63.63 2k8h h ILE 53 Cb 0.44 2.12 0.00 0.00 -1.09 0.00 0.00 36.82 38.30 2k8h h ILE 53 CO 0.06 0.62 -0.44 0.44 -1.08 0.00 0.00 178.15 177.75 2k8h h ASP 54 N 0.11 0.75 -0.03 2.19 3.32 -1.11 -0.85 116.42 120.80 2k8h h ASP 54 Ca -0.01 -0.55 -0.22 0.00 0.02 0.00 0.00 57.03 56.27 2k8h h ASP 54 Cb 1.16 -0.21 0.01 0.00 0.22 0.00 0.00 39.33 40.51 2k8h h ASP 54 CO 0.09 1.16 -0.78 0.74 -1.72 0.00 0.00 179.24 178.73 2k8h h THR 55 N 0.36 1.30 -0.29 0.35 2.02 -0.40 -0.91 112.91 115.34 2k8h h THR 55 Ca 0.00 -2.04 -0.09 0.00 0.77 0.00 0.00 66.41 65.06 2k8h h THR 55 Cb 1.04 2.04 -0.01 0.00 -1.74 0.00 0.00 68.15 69.48 2k8h h THR 55 CO 0.10 0.64 -0.17 0.22 0.37 0.00 0.00 175.52 176.67 2k8h h TYR 56 N 0.46 0.73 -0.28 3.16 5.03 -1.20 0.90 116.97 125.77 2k8h h TYR 56 Ca -0.05 -0.19 -0.12 0.00 2.58 0.00 0.00 58.73 60.94 2k8h h TYR 56 Cb 1.40 -0.16 -0.00 0.00 1.55 0.00 0.00 36.73 39.51 2k8h h TYR 56 CO 0.08 0.88 -0.31 0.00 -1.32 0.00 0.00 178.16 177.48 2k8h h LYS 58 N 0.44 0.91 -0.21 0.00 3.64 -1.17 -0.48 116.57 119.71 2k8h h LYS 58 Ca 0.04 -0.36 -0.04 0.00 -1.27 0.00 0.00 60.65 59.02 2k8h h LYS 58 Cb 0.89 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 2k8h h LYS 58 CO 0.08 1.02 -0.01 0.87 -2.27 0.00 0.00 179.45 179.13 2k8h h LYS 59 N 0.75 0.37 0.00 1.90 1.79 -0.81 -2.59 116.57 117.98 2k8h h LYS 59 Ca 0.11 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2k8h h LYS 59 Cb 0.70 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 2k8h h LYS 59 CO 0.05 0.58 0.00 0.37 -1.08 0.00 0.00 179.45 179.37 2k8h h GLN 60 N 0.12 0.00 0.00 3.15 4.15 -1.17 -3.46 115.11 117.90 2k8h h GLN 60 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.48 2k8h h GLN 60 Cb 0.42 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.11 2k8h h GLN 60 CO 0.01 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.32 2k8h n GLY 61 N -0.80 0.73 2.92 2.39 0.00 -0.92 -5.07 105.19 104.44 2k8h n GLY 61 Ca -0.02 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.00 -0.02 1.25 -0.61 -5.25 -0.23 -5.04 121.20 109.30 2k8h s ILE 62 Ca 0.00 0.07 -0.16 0.00 -0.99 0.00 0.00 60.65 59.57 2k8h s ILE 62 Cb 0.00 -0.14 0.29 0.00 2.95 0.00 0.00 42.46 45.57 2k8h s ILE 62 CO 0.00 0.03 0.81 -1.20 -1.79 0.00 0.00 174.94 172.79 2k8h n SER 63 N 3.45 -2.54 -2.45 4.36 7.64 -1.26 -4.10 113.62 118.71 2k8h n SER 63 Ca -0.17 -0.36 -0.23 0.00 1.01 0.00 0.00 58.87 59.11 2k8h n SER 63 Cb 0.56 -1.13 -0.10 0.00 -1.01 0.00 0.00 64.21 62.54 2k8h n SER 63 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2k8h n ARG 64 N -4.70 2.55 -1.50 1.43 -4.01 -1.26 -4.14 116.66 105.03 2k8h n ARG 64 Ca 0.04 -1.90 0.02 0.00 -1.04 0.00 0.00 57.85 54.98 2k8h n ARG 64 Cb 0.56 -2.19 0.08 0.00 -3.04 0.00 0.00 32.46 27.87 2k8h n ARG 64 CO 0.00 0.00 0.00 0.09 -3.04 0.00 0.00 177.63 174.68 2k8h n ASN 65 N 1.83 1.57 -1.41 2.89 4.13 -1.26 -4.78 115.26 118.23 2k8h n ASN 65 Ca 0.50 -2.65 -0.04 0.00 1.68 0.00 0.00 54.58 54.07 2k8h n ASN 65 Cb 0.65 -0.39 -0.00 0.00 -1.54 0.00 0.00 39.78 38.49 2k8h n ASN 65 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2k8h n SER 66 N -0.19 -0.93 -3.60 6.41 2.88 -1.26 -5.11 113.62 111.82 2k8h n SER 66 Ca 0.13 -1.74 -0.08 0.00 -1.33 0.00 0.00 58.87 55.85 2k8h n SER 66 Cb 0.96 0.35 -0.09 0.00 -0.75 0.00 0.00 64.21 64.68 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 0.03 -0.67 -0.32 2.46 -7.23 -1.26 -4.80 120.40 108.61 2k8h s VAL 67 Ca 0.02 0.13 -0.15 0.00 -1.81 0.00 0.00 61.98 60.17 2k8h s VAL 67 Cb 0.12 -0.71 -0.02 0.00 0.56 0.00 0.00 36.38 36.33 2k8h s VAL 67 CO -0.03 0.04 0.39 -0.13 -0.31 0.00 0.00 175.10 175.05 2k8h s ARG 68 N 2.62 3.72 -0.49 4.82 0.52 -0.50 -4.93 118.95 124.71 2k8h s ARG 68 Ca 0.01 -0.24 -0.16 0.00 -0.52 0.00 0.00 55.73 54.81 2k8h s ARG 68 Cb -0.13 -3.76 0.07 0.00 0.52 0.00 0.00 34.95 31.66 2k8h s ARG 68 CO -0.14 -0.46 0.47 -0.06 0.02 0.00 0.00 175.30 175.13 2k8h s PHE 69 N 2.09 3.19 0.23 -0.53 0.40 -1.26 -1.46 117.98 120.64 2k8h s PHE 69 Ca 0.14 -0.85 0.11 0.00 -0.60 0.00 0.00 56.93 55.72 2k8h s PHE 69 Cb -0.16 -3.32 -0.05 0.00 0.51 0.00 0.00 43.02 40.01 2k8h s PHE 69 CO 0.11 -0.88 -0.16 -0.48 0.70 0.00 0.00 175.22 174.51 2k8h s LEU 70 N 1.91 2.71 -0.25 -0.37 0.05 -1.22 -0.93 118.68 120.58 2k8h s LEU 70 Ca 0.07 -0.84 -0.01 0.00 0.05 0.00 0.00 54.13 53.40 2k8h s LEU 70 Cb -0.23 -1.32 0.08 0.00 -2.05 0.00 0.00 46.19 42.66 2k8h s LEU 70 CO 0.08 0.07 0.05 0.12 -0.55 0.00 0.00 176.35 176.12 2k8h s PHE 71 N -2.09 1.53 -2.18 3.48 5.36 -0.12 -1.10 117.98 122.87 2k8h s PHE 71 Ca 0.27 -1.38 0.00 0.00 -0.96 0.00 0.00 56.93 54.85 2k8h s PHE 71 Cb -0.07 -1.42 0.00 0.00 -0.34 0.00 0.00 43.02 41.20 2k8h s PHE 71 CO 0.14 -0.76 0.00 -3.47 -1.46 0.00 0.00 175.22 169.68 2k8h n ASP 72 N 4.90 -5.54 0.00 6.13 -0.08 -1.26 -1.21 116.55 119.49 2k8h n ASP 72 Ca -0.06 0.47 0.00 0.00 -1.51 0.00 0.00 54.79 53.69 2k8h n ASP 72 Cb 0.44 -4.85 0.00 0.00 2.34 0.00 0.00 41.12 39.06 2k8h n ASP 72 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k8h n GLY 73 N -0.46 0.98 3.23 0.27 0.00 -1.26 -5.07 105.19 102.88 2k8h n GLY 73 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 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 4.57 -0.74 2.61 -4.23 -0.35 -5.03 115.64 110.47 2k8h s THR 74 Ca 0.00 -2.06 -0.26 0.00 -1.18 0.00 0.00 61.69 58.19 2k8h s THR 74 Cb 0.00 -3.95 -0.03 0.00 1.34 0.00 0.00 72.50 69.86 2k8h s THR 74 CO 0.00 -0.86 1.90 -2.16 -0.54 0.00 0.00 174.62 172.96 2k8h s PRO 75 N 0.94 2.59 -0.13 3.99 0.04 -1.26 -0.94 135.00 140.22 2k8h s PRO 75 Ca 0.09 0.21 -0.12 0.00 0.04 0.00 0.00 61.00 61.22 2k8h s PRO 75 Cb -0.23 -4.69 0.03 0.00 0.04 0.00 0.00 34.50 29.66 2k8h s PRO 75 CO -0.02 -3.02 0.36 0.42 0.04 0.00 0.00 177.00 174.77 2k8h s ILE 76 N 9.54 0.00 -0.54 0.56 -1.09 -0.11 -4.96 121.20 124.60 2k8h s ILE 76 Ca 0.69 -0.01 0.04 0.00 -2.23 0.00 0.00 60.65 59.13 2k8h s ILE 76 Cb -0.10 -0.50 0.14 0.00 -1.58 0.00 0.00 42.46 40.42 2k8h s ILE 76 CO 0.11 -0.01 0.31 1.51 -1.23 0.00 0.00 174.94 175.63 2k8h s ASP 77 N 0.15 4.26 0.00 3.58 1.47 -1.26 -4.45 116.67 120.41 2k8h s ASP 77 Ca -0.00 -3.13 0.00 0.00 1.18 0.00 0.00 52.55 50.60 2k8h s ASP 77 Cb -0.03 -1.52 0.00 0.00 -0.34 0.00 0.00 42.92 41.03 2k8h s ASP 77 CO 0.01 -0.20 0.00 -1.84 0.68 0.00 0.00 175.17 173.81 2k8h n GLU 78 N 2.93 -1.23 -1.60 2.11 0.28 -1.26 -4.95 120.64 116.92 2k8h n GLU 78 Ca 0.09 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.89 2k8h n GLU 78 Cb 0.33 0.00 0.07 0.00 1.43 0.00 0.00 31.44 33.28 2k8h n GLU 78 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2k8h n THR 79 N -0.05 2.70 0.03 3.84 -1.04 -1.26 -4.42 114.28 114.07 2k8h n THR 79 Ca 0.00 -3.70 0.00 0.00 -2.04 0.00 0.00 64.05 58.31 2k8h n THR 79 Cb 0.00 -0.95 0.00 0.00 -1.82 0.00 0.00 70.33 67.56 2k8h n THR 79 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2k8h n LYS 80 N -0.84 0.00 0.32 -2.82 4.76 -1.26 -4.56 118.16 113.76 2k8h n LYS 80 Ca 0.44 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.74 2k8h n LYS 80 Cb 0.90 -0.28 -0.07 0.00 -1.84 0.00 0.00 35.03 33.75 2k8h n LYS 80 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 2k8h h THR 81 N 0.00 0.07 0.00 -0.18 2.02 -1.99 -1.22 112.91 111.61 2k8h h THR 81 Ca 0.00 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 2k8h h THR 81 Cb 0.41 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2k8h h THR 81 CO 0.00 0.01 -0.14 1.55 0.37 0.00 0.00 175.52 177.31 2k8h h PRO 82 N -1.19 0.00 0.00 6.66 0.13 -1.91 -0.93 132.00 134.76 2k8h h PRO 82 Ca -0.09 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.97 2k8h h PRO 82 Cb 0.67 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.81 2k8h h PRO 82 CO 0.14 0.14 -0.27 1.49 -0.23 0.00 0.00 178.00 179.27 2k8h h GLU 83 N 0.00 0.18 -0.06 0.86 4.22 -1.80 -0.06 114.58 117.92 2k8h h GLU 83 Ca -0.00 -0.19 -0.19 0.00 0.08 0.00 0.00 59.36 59.06 2k8h h GLU 83 Cb 0.60 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2k8h h GLU 83 CO 0.02 0.93 -0.76 1.49 -2.18 0.00 0.00 179.01 178.52 2k8h h GLU 84 N -0.50 0.37 0.02 1.92 4.22 -1.18 -2.48 114.58 116.95 2k8h h GLU 84 Ca -0.03 -0.32 -0.22 0.00 0.08 0.00 0.00 59.36 58.87 2k8h h GLU 84 Cb 1.03 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 2k8h h GLU 84 CO 0.05 0.97 -0.95 1.25 -2.18 0.00 0.00 179.01 178.15 2k8h h LEU 85 N 0.25 0.34 0.33 1.64 5.85 -1.27 -3.34 115.31 119.11 2k8h h LEU 85 Ca -0.04 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.38 2k8h h LEU 85 Cb 1.34 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.27 2k8h h LEU 85 CO 0.13 1.11 -0.16 1.23 -0.34 0.00 0.00 178.44 180.41 2k8h h GLY 86 N 1.70 -0.46 -1.53 3.75 0.00 -1.00 -3.47 103.07 102.06 2k8h h GLY 86 Ca -0.06 0.17 -0.35 0.00 0.00 0.00 0.00 47.33 47.09 2k8h h GLY 86 CO 0.15 -0.17 -0.37 1.03 0.00 0.00 0.00 176.54 177.18 2k8h n MET 87 N -5.10 -1.28 -4.11 4.80 2.81 -0.94 -4.97 117.12 108.33 2k8h n MET 87 Ca -0.09 0.99 -0.08 0.00 -1.81 0.00 0.00 57.70 56.71 2k8h n MET 87 Cb 0.27 -5.32 -0.10 0.00 -0.71 0.00 0.00 33.22 27.35 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 -4.07 0.78 -0.08 0.03 2.12 -1.26 -4.84 118.70 111.38 2k8h s GLU 88 Ca 0.00 -1.33 0.16 0.00 0.36 0.00 0.00 54.97 54.17 2k8h s GLU 88 Cb 0.00 0.23 0.62 0.00 0.26 0.00 0.00 34.13 35.24 2k8h s GLU 88 CO 0.00 -0.19 1.51 -0.40 -0.54 0.00 0.00 175.26 175.63 2k8h n ASP 89 N 0.00 4.05 -2.19 -1.70 5.68 -1.26 -4.27 116.55 116.86 2k8h n ASP 89 Ca -0.10 -2.31 -0.26 0.00 -0.50 0.00 0.00 54.79 51.61 2k8h n ASP 89 Cb 0.62 -0.52 0.02 0.00 -1.14 0.00 0.00 41.12 40.11 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 1.03 5.29 -4.66 -1.12 8.00 -1.22 -0.98 116.55 122.91 2k8h n ASP 90 Ca 0.22 -3.75 -0.43 0.00 0.71 0.00 0.00 54.79 51.54 2k8h n ASP 90 Cb 0.74 -0.47 -0.02 0.00 -0.02 0.00 0.00 41.12 41.35 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 -3.29 6.76 0.02 -2.24 -1.08 -0.71 -4.91 116.67 111.23 2k8h s ASP 91 Ca 0.52 1.92 0.02 0.00 -0.52 0.00 0.00 52.55 54.50 2k8h s ASP 91 Cb 0.42 -2.54 -0.04 0.00 -1.46 0.00 0.00 42.92 39.31 2k8h s ASP 91 CO -0.03 -0.89 0.01 0.68 0.52 0.00 0.00 175.17 175.46 2k8h s VAL 92 N 3.91 4.17 -0.14 1.11 -7.23 -1.26 -1.10 120.40 119.86 2k8h s VAL 92 Ca 0.65 -0.69 -0.03 0.00 -1.81 0.00 0.00 61.98 60.10 2k8h s VAL 92 Cb -0.27 -2.90 0.05 0.00 0.56 0.00 0.00 36.38 33.82 2k8h s VAL 92 CO 0.23 0.30 0.03 -0.63 -0.31 0.00 0.00 175.10 174.72 2k8h s ILE 93 N -1.16 0.39 -0.49 -0.62 -1.09 -0.55 -4.34 121.20 113.34 2k8h s ILE 93 Ca 0.22 -0.25 -0.19 0.00 -2.23 0.00 0.00 60.65 58.19 2k8h s ILE 93 Cb -0.12 -0.79 0.05 0.00 -1.58 0.00 0.00 42.46 40.02 2k8h s ILE 93 CO 0.13 -0.04 0.62 -0.62 -1.23 0.00 0.00 174.94 173.80 2k8h s ASP 94 N 1.94 6.24 -0.25 3.58 -1.08 -0.26 -1.26 116.67 125.58 2k8h s ASP 94 Ca 0.02 -0.78 -0.29 0.00 -0.52 0.00 0.00 52.55 50.98 2k8h s ASP 94 Cb -0.15 -2.29 -0.01 0.00 -1.46 0.00 0.00 42.92 39.01 2k8h s ASP 94 CO -0.07 -0.85 1.33 0.00 0.52 0.00 0.00 175.17 176.10 2k8h s ALA 95 N 2.65 3.44 0.17 3.66 0.00 -0.44 -3.41 121.76 127.84 2k8h s ALA 95 Ca 0.17 0.26 0.09 0.00 0.00 0.00 0.00 51.96 52.47 2k8h s ALA 95 Cb -0.18 -3.74 -0.04 0.00 0.00 0.00 0.00 23.12 19.16 2k8h s ALA 95 CO 0.13 -1.62 -0.09 -1.64 0.00 0.00 0.00 175.76 172.54 2k8h s MET 96 N 4.03 2.07 -0.08 0.00 -1.94 -0.53 -4.29 119.30 118.55 2k8h s MET 96 Ca 0.58 -1.25 -0.01 0.00 -1.71 0.00 0.00 55.69 53.30 2k8h s MET 96 Cb -0.19 -2.17 -0.03 0.00 2.01 0.00 0.00 34.83 34.44 2k8h s MET 96 CO 0.21 0.44 -0.02 0.08 -0.01 0.00 0.00 175.02 175.72 2k8h s VAL 97 N -1.66 4.09 -0.22 -6.03 1.01 -1.26 -1.41 120.40 114.92 2k8h s VAL 97 Ca 0.24 -0.33 -0.00 0.00 0.00 0.00 0.00 61.98 61.89 2k8h s VAL 97 Cb -0.09 -2.71 0.06 0.00 0.00 0.00 0.00 36.38 33.64 2k8h s VAL 97 CO 0.15 0.60 -0.03 -0.70 0.00 0.00 0.00 175.10 175.12 2k8h s GLU 98 N -0.83 1.40 -0.03 2.72 2.12 -1.26 -5.04 118.70 117.77 2k8h s GLU 98 Ca 0.13 -0.85 0.05 0.00 0.36 0.00 0.00 54.97 54.66 2k8h s GLU 98 Cb -0.11 -2.47 -0.01 0.00 0.26 0.00 0.00 34.13 31.80 2k8h s GLU 98 CO 0.02 -0.60 -0.20 -0.65 -0.54 0.00 0.00 175.26 173.29 2k8h s GLN 99 N 1.51 1.85 -0.81 4.30 -0.21 -1.26 -5.06 119.66 119.97 2k8h s GLN 99 Ca -0.05 -0.70 -0.22 0.00 0.02 0.00 0.00 55.36 54.42 2k8h s GLN 99 Cb -0.18 -1.66 0.09 0.00 1.00 0.00 0.00 33.01 32.25 2k8h s GLN 99 CO -0.07 0.34 1.12 0.95 -2.12 0.00 0.00 175.29 175.51 2k8h s THR 100 N -0.20 4.35 -0.60 -0.19 -4.23 -1.26 -4.98 115.64 108.53 2k8h s THR 100 Ca 0.01 -0.78 -0.28 0.00 -1.18 0.00 0.00 61.69 59.47 2k8h s THR 100 Cb -0.10 -4.79 0.02 0.00 1.34 0.00 0.00 72.50 68.96 2k8h s THR 100 CO 0.01 -1.58 1.39 -0.83 -0.54 0.00 0.00 174.62 173.07 2k8h s GLY 101 N 3.86 0.88 0.00 3.99 0.00 -1.26 -5.39 107.32 109.40 2k8h s GLY 101 Ca 0.30 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 44.20 2k8h s GLY 101 CO 0.01 2.77 0.18 0.61 0.00 0.00 0.00 173.10 176.67