#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 -0.20 0.74 7.83 0.15 -1.26 -5.18 113.70 115.78 2k8h s SER 2 Ca 0.00 0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.96 2k8h s SER 2 Cb 0.00 0.28 0.14 0.00 -1.71 0.00 0.00 66.02 64.74 2k8h s SER 2 CO 0.00 -0.12 1.00 0.59 1.20 0.00 0.00 173.24 175.91 2k8h n ASN 3 N 1.20 1.39 -4.32 5.45 3.02 -1.26 -5.13 115.26 115.61 2k8h n ASN 3 Ca -0.08 -2.16 -0.18 0.00 -0.03 0.00 0.00 54.58 52.13 2k8h n ASN 3 Cb 0.57 -0.65 -0.10 0.00 -0.61 0.00 0.00 39.78 39.00 2k8h n ASN 3 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2k8h s ASN 4 N -5.09 2.43 0.00 6.41 0.01 -1.26 -5.16 114.94 112.27 2k8h s ASN 4 Ca 0.67 -0.99 0.00 0.00 -0.71 0.00 0.00 52.86 51.83 2k8h s ASN 4 Cb -0.04 -0.11 0.00 0.00 0.41 0.00 0.00 41.25 41.51 2k8h s ASN 4 CO 0.44 -0.18 0.00 0.61 -1.51 0.00 0.00 177.10 176.46 2k8h n GLY 5 N -0.24 5.05 0.00 0.66 0.00 -1.26 -5.16 105.19 104.24 2k8h n GLY 5 Ca -0.09 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.90 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 5.00 4.73 3.44 -0.02 0.00 -1.26 -5.16 105.19 111.91 2k8h n GLY 6 Ca 0.00 -1.94 -0.22 0.00 0.00 0.00 0.00 46.02 43.86 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 2.26 1.58 0.01 1.61 8.01 -1.26 -5.07 118.70 125.84 2k8h s GLU 7 Ca 0.00 -1.73 -0.23 0.00 0.01 0.00 0.00 54.97 53.02 2k8h s GLU 7 Cb 0.00 -1.55 -0.18 0.00 -4.31 0.00 0.00 34.13 28.10 2k8h s GLU 7 CO 0.00 0.26 1.30 -1.00 0.01 0.00 0.00 175.26 175.84 2k8h h PRO 8 N 2.34 0.17 -1.06 0.39 0.13 -2.05 -3.47 132.00 128.45 2k8h h PRO 8 Ca -0.40 -0.09 0.21 0.00 -0.87 0.00 0.00 66.00 64.85 2k8h h PRO 8 Cb 1.25 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.05 2k8h h PRO 8 CO 0.62 0.61 0.77 -1.54 -0.23 0.00 0.00 178.00 178.22 2k8h s SER 9 N -5.89 -0.05 0.30 1.44 1.04 -1.26 -5.19 113.70 104.09 2k8h s SER 9 Ca -0.15 0.09 0.02 0.00 0.48 0.00 0.00 55.95 56.39 2k8h s SER 9 Cb 0.03 0.91 0.02 0.00 0.10 0.00 0.00 66.02 67.08 2k8h s SER 9 CO 0.71 -0.01 0.18 -3.20 0.98 0.00 0.00 173.24 171.89 2k8h n ASN 10 N 2.89 2.17 -1.10 7.02 5.15 -1.26 -5.06 115.26 125.06 2k8h n ASN 10 Ca -0.16 -2.11 0.10 0.00 -0.60 0.00 0.00 54.58 51.81 2k8h n ASN 10 Cb 0.56 0.03 -0.03 0.00 -0.53 0.00 0.00 39.78 39.82 2k8h n ASN 10 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2k8h n ASN 11 N -1.74 -6.58 -2.45 1.20 5.15 -1.26 -5.00 115.26 104.58 2k8h n ASN 11 Ca -0.04 0.80 -0.03 0.00 -0.60 0.00 0.00 54.58 54.71 2k8h n ASN 11 Cb 0.35 -2.24 0.00 0.00 -0.53 0.00 0.00 39.78 37.37 2k8h n ASN 11 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k8h n GLY 12 N -2.25 -1.04 0.00 8.20 0.00 -1.26 -4.83 105.19 104.01 2k8h n GLY 12 Ca 0.01 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 -0.79 2.56 3.61 -0.02 0.00 -1.26 -4.77 105.19 104.51 2k8h n GLY 13 Ca 0.05 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 3.74 0.00 1.61 2.02 -1.26 -4.71 118.70 120.11 2k8h s GLU 14 Ca 0.00 0.77 0.00 0.00 0.02 0.00 0.00 54.97 55.76 2k8h s GLU 14 Cb 0.00 -3.91 0.00 0.00 0.10 0.00 0.00 34.13 30.32 2k8h s GLU 14 CO 0.00 -1.35 0.00 0.41 0.02 0.00 0.00 175.26 174.34 2k8h n GLY 15 N 4.75 -0.37 3.02 -1.39 0.00 -1.26 -5.15 105.19 104.78 2k8h n GLY 15 Ca 0.13 0.26 -0.01 0.00 0.00 0.00 0.00 46.02 46.40 2k8h n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k8h n ALA 16 N 0.00 -2.34 -3.14 4.61 0.00 -1.26 -5.19 120.51 113.19 2k8h n ALA 16 Ca 0.00 -0.73 -0.13 0.00 0.00 0.00 0.00 53.44 52.58 2k8h n ALA 16 Cb 0.00 0.32 -0.08 0.00 0.00 0.00 0.00 19.45 19.70 2k8h n ALA 16 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2k8h s GLU 17 N -2.03 0.76 0.05 0.00 2.02 -1.26 -5.14 118.70 113.10 2k8h s GLU 17 Ca 0.20 -0.32 0.03 0.00 0.02 0.00 0.00 54.97 54.90 2k8h s GLU 17 Cb -0.02 0.34 -0.04 0.00 0.10 0.00 0.00 34.13 34.51 2k8h s GLU 17 CO 0.03 -0.23 -0.01 0.20 0.02 0.00 0.00 175.26 175.27 2k8h s GLY 18 N -1.69 1.89 0.31 -1.39 0.00 -1.26 -4.92 107.32 100.25 2k8h s GLY 18 Ca -0.09 -1.05 -0.18 0.00 0.00 0.00 0.00 44.72 43.40 2k8h s GLY 18 CO 0.01 -0.98 0.90 2.41 0.00 0.00 0.00 173.10 175.44 2k8h n THR 19 N 0.96 0.00 -2.67 0.90 -1.04 -1.26 -5.09 114.28 106.08 2k8h n THR 19 Ca -0.13 -0.81 -0.02 0.00 -2.04 0.00 0.00 64.05 61.05 2k8h n THR 19 Cb 0.52 0.90 -0.02 0.00 -1.82 0.00 0.00 70.33 69.91 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 -1.29 0.17 -0.32 0.00 1.02 -1.26 -5.05 119.74 113.01 2k8h s LYS 21 Ca -0.11 0.65 -0.02 0.00 0.02 0.00 0.00 55.97 56.51 2k8h s LYS 21 Cb 0.01 -0.26 0.28 0.00 -0.52 0.00 0.00 37.83 37.34 2k8h s LYS 21 CO 0.79 -0.37 1.26 -0.85 -0.92 0.00 0.00 175.35 175.27 2k8h n GLU 22 N 5.35 0.09 -3.68 1.68 0.28 -1.26 -5.17 120.64 117.93 2k8h n GLU 22 Ca -0.06 -0.65 -0.07 0.00 -0.16 0.00 0.00 57.16 56.22 2k8h n GLU 22 Cb 0.50 -0.17 0.03 0.00 1.43 0.00 0.00 31.44 33.23 2k8h n GLU 22 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2k8h n GLU 23 N 1.45 0.99 -3.83 3.44 0.00 -1.26 -5.15 120.64 116.28 2k8h n GLU 23 Ca 0.01 -1.99 -0.36 0.00 0.00 0.00 0.00 57.16 54.82 2k8h n GLU 23 Cb 0.71 2.51 -0.13 0.00 0.00 0.00 0.00 31.44 34.53 2k8h n GLU 23 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 2k8h s THR 24 N -2.12 3.81 -0.03 6.31 -4.23 -1.26 -5.05 115.64 113.07 2k8h s THR 24 Ca 0.17 -0.38 -0.23 0.00 -1.18 0.00 0.00 61.69 60.07 2k8h s THR 24 Cb -0.04 -2.77 0.05 0.00 1.34 0.00 0.00 72.50 71.07 2k8h s THR 24 CO 0.10 0.36 0.50 0.00 -0.54 0.00 0.00 174.62 175.04 2k8h s ALA 25 N 1.54 -1.29 -0.08 3.99 0.00 -1.26 -5.09 121.76 119.57 2k8h s ALA 25 Ca 0.06 0.83 -0.01 0.00 0.00 0.00 0.00 51.96 52.84 2k8h s ALA 25 Cb -0.15 0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.04 2k8h s ALA 25 CO 0.00 -0.32 -0.00 -1.17 0.00 0.00 0.00 175.76 174.27 2k8h s LEU 26 N -1.27 0.63 -0.03 0.00 0.20 -1.26 -3.87 118.68 113.09 2k8h s LEU 26 Ca -0.12 -0.11 0.02 0.00 0.69 0.00 0.00 54.13 54.61 2k8h s LEU 26 Cb -0.03 -0.46 0.01 0.00 -0.43 0.00 0.00 46.19 45.28 2k8h s LEU 26 CO 0.07 -0.19 -0.08 -0.69 -0.29 0.00 0.00 176.35 175.17 2k8h s VAL 27 N 1.96 0.71 -0.10 1.68 1.01 -0.45 -4.75 120.40 120.46 2k8h s VAL 27 Ca 0.05 -0.30 -0.17 0.00 0.00 0.00 0.00 61.98 61.56 2k8h s VAL 27 Cb -0.12 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.57 2k8h s VAL 27 CO -0.05 0.23 0.45 0.00 0.00 0.00 0.00 175.10 175.73 2k8h s ALA 28 N 0.33 3.53 0.07 5.51 0.00 -0.12 -1.18 121.76 129.89 2k8h s ALA 28 Ca -0.05 -0.21 0.08 0.00 0.00 0.00 0.00 51.96 51.78 2k8h s ALA 28 Cb -0.09 -2.58 -0.03 0.00 0.00 0.00 0.00 23.12 20.42 2k8h s ALA 28 CO 0.00 0.10 -0.23 0.08 0.00 0.00 0.00 175.76 175.72 2k8h s VAL 29 N 0.28 1.84 -0.12 0.00 1.01 -0.49 -1.36 120.40 121.56 2k8h s VAL 29 Ca 0.25 -1.37 -0.02 0.00 0.00 0.00 0.00 61.98 60.84 2k8h s VAL 29 Cb -0.15 -1.61 0.04 0.00 0.00 0.00 0.00 36.38 34.66 2k8h s VAL 29 CO 0.10 0.17 0.02 -1.59 0.00 0.00 0.00 175.10 173.81 2k8h s LYS 30 N -1.43 0.61 -0.22 2.72 -2.85 -0.19 -1.37 119.74 117.00 2k8h s LYS 30 Ca 0.09 -0.11 -0.13 0.00 -1.00 0.00 0.00 55.97 54.82 2k8h s LYS 30 Cb -0.09 -1.46 -0.04 0.00 -2.06 0.00 0.00 37.83 34.17 2k8h s LYS 30 CO 0.03 -0.45 0.29 0.54 0.10 0.00 0.00 175.35 175.85 2k8h s VAL 31 N 1.94 5.28 0.15 1.79 0.11 -0.24 -1.48 120.40 127.93 2k8h s VAL 31 Ca 0.03 0.46 0.11 0.00 -2.93 0.00 0.00 61.98 59.65 2k8h s VAL 31 Cb -0.14 -3.62 -0.04 0.00 -1.53 0.00 0.00 36.38 31.05 2k8h s VAL 31 CO -0.07 0.30 -0.25 0.68 -3.33 0.00 0.00 175.10 172.44 2k8h s VAL 32 N 1.14 2.36 0.13 2.04 -7.23 -0.45 -1.52 120.40 116.88 2k8h s VAL 32 Ca 0.14 -1.81 0.08 0.00 -1.81 0.00 0.00 61.98 58.58 2k8h s VAL 32 Cb -0.14 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 2k8h s VAL 32 CO 0.06 0.03 -0.19 0.20 -0.31 0.00 0.00 175.10 174.89 2k8h s ASN 33 N -2.25 2.51 0.61 4.85 -0.87 -0.88 -1.29 114.94 117.62 2k8h s ASN 33 Ca 0.16 -0.77 0.34 0.00 -1.57 0.00 0.00 52.86 51.02 2k8h s ASN 33 Cb -0.09 -0.14 1.98 0.00 -0.02 0.00 0.00 41.25 42.98 2k8h s ASN 33 CO 0.08 -0.01 2.28 0.00 -2.57 0.00 0.00 177.10 176.88 2k8h h ALA 34 N 3.68 1.40 0.00 0.60 0.00 -1.89 0.17 119.26 123.21 2k8h h ALA 34 Ca -0.44 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 2k8h h ALA 34 Cb 1.19 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2k8h h ALA 34 CO 0.46 -0.02 -0.47 -0.44 0.00 0.00 0.00 179.25 178.77 2k8h h ASP 35 N 0.00 0.00 0.00 0.00 5.19 -1.95 -3.48 116.42 116.18 2k8h h ASP 35 Ca 0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 2k8h h ASP 35 Cb 0.04 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.55 2k8h h ASP 35 CO -0.00 0.47 0.00 0.61 -3.12 0.00 0.00 179.24 177.20 2k8h n GLY 36 N 1.06 2.80 3.69 2.75 0.00 0.05 -5.08 105.19 110.45 2k8h n GLY 36 Ca 0.02 -0.83 -0.52 0.00 0.00 0.00 0.00 46.02 44.69 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 0.32 -2.87 4.61 0.00 -1.26 -4.54 120.51 116.77 2k8h n ALA 37 Ca 0.00 0.36 -0.10 0.00 0.00 0.00 0.00 53.44 53.70 2k8h n ALA 37 Cb 0.00 -2.34 -0.06 0.00 0.00 0.00 0.00 19.45 17.05 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 3.37 1.05 -0.14 0.00 -1.05 -1.26 -2.07 118.70 118.59 2k8h s GLU 38 Ca 0.94 -0.85 -0.26 0.00 -0.15 0.00 0.00 54.97 54.64 2k8h s GLU 38 Cb -0.87 0.43 0.06 0.00 -0.44 0.00 0.00 34.13 33.31 2k8h s GLU 38 CO 0.56 -0.39 0.65 0.00 0.95 0.00 0.00 175.26 177.03 2k8h s MET 39 N -3.85 0.89 0.05 -4.83 0.23 -0.57 -5.00 119.30 106.22 2k8h s MET 39 Ca 0.06 0.55 0.06 0.00 -1.03 0.00 0.00 55.69 55.32 2k8h s MET 39 Cb 0.03 0.43 -0.02 0.00 -1.53 0.00 0.00 34.83 33.73 2k8h s MET 39 CO -0.09 -0.20 -0.16 -0.59 -2.03 0.00 0.00 175.02 171.94 2k8h s PHE 40 N -0.45 1.42 0.06 3.16 -0.71 -1.26 -1.08 117.98 119.11 2k8h s PHE 40 Ca -0.06 -0.37 -0.26 0.00 -1.04 0.00 0.00 56.93 55.20 2k8h s PHE 40 Cb -0.03 -0.83 0.07 0.00 -1.21 0.00 0.00 43.02 41.02 2k8h s PHE 40 CO 0.05 0.06 0.62 0.12 -1.34 0.00 0.00 175.22 174.73 2k8h s PHE 41 N -0.88 -0.57 -0.35 3.49 2.19 -0.47 -5.00 117.98 116.39 2k8h s PHE 41 Ca 0.03 0.68 -0.16 0.00 0.33 0.00 0.00 56.93 57.81 2k8h s PHE 41 Cb -0.08 0.46 -0.01 0.00 -1.31 0.00 0.00 43.02 42.08 2k8h s PHE 41 CO 0.02 -0.72 0.41 -0.98 1.83 0.00 0.00 175.22 175.78 2k8h s ARG 42 N -2.49 3.56 0.07 10.12 3.03 -1.26 -1.39 118.95 130.59 2k8h s ARG 42 Ca -0.05 -0.35 0.02 0.00 2.03 0.00 0.00 55.73 57.38 2k8h s ARG 42 Cb -0.01 -3.81 -0.03 0.00 -1.03 0.00 0.00 34.95 30.07 2k8h s ARG 42 CO -0.02 -0.57 -0.07 0.42 -1.13 0.00 0.00 175.30 173.93 2k8h s ILE 43 N 2.14 0.59 0.25 4.99 -1.09 -0.33 -4.93 121.20 122.82 2k8h s ILE 43 Ca 0.14 -1.57 -0.30 0.00 -2.23 0.00 0.00 60.65 56.69 2k8h s ILE 43 Cb -0.16 -1.21 -0.14 0.00 -1.58 0.00 0.00 42.46 39.36 2k8h s ILE 43 CO 0.12 -0.68 1.24 0.29 -1.23 0.00 0.00 174.94 174.68 2k8h n LYS 44 N 0.60 1.70 0.20 2.79 4.76 -1.26 -1.34 118.16 125.61 2k8h n LYS 44 Ca -0.17 0.60 0.14 0.00 -2.87 0.00 0.00 58.31 56.01 2k8h n LYS 44 Cb 0.58 -2.14 0.69 0.00 -1.84 0.00 0.00 35.03 32.32 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 3.20 0.00 -0.27 4.39 4.64 -1.85 -0.38 113.55 123.29 2k8h h SER 45 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2k8h h SER 45 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2k8h h SER 45 CO 0.68 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.18 2k8h n ARG 46 N -2.50 1.68 -2.65 4.77 5.12 -1.26 -4.56 116.66 117.26 2k8h n ARG 46 Ca -0.01 -1.05 -0.01 0.00 -1.93 0.00 0.00 57.85 54.85 2k8h n ARG 46 Cb 0.12 -1.27 0.03 0.00 -1.16 0.00 0.00 32.46 30.18 2k8h n ARG 46 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2k8h s THR 47 N -1.65 -0.00 0.17 0.55 -4.23 -0.16 -4.98 115.64 105.35 2k8h s THR 47 Ca 0.23 -0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.74 2k8h s THR 47 Cb 0.12 0.00 0.00 0.00 1.34 0.00 0.00 72.50 73.96 2k8h s THR 47 CO 0.16 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.24 2k8h n ALA 48 N 2.84 3.00 0.10 3.99 0.00 -1.20 -4.20 120.51 125.05 2k8h n ALA 48 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2k8h n ALA 48 Cb 0.66 0.12 0.31 0.00 0.00 0.00 0.00 19.45 20.53 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 0.26 -0.10 0.00 7.12 -1.88 0.14 115.31 120.86 2k8h h LEU 49 Ca 0.00 -0.08 -0.02 0.00 0.13 0.00 0.00 57.88 57.91 2k8h h LEU 49 Cb 0.09 -0.07 -0.00 0.00 -0.53 0.00 0.00 40.66 40.15 2k8h h LEU 49 CO 0.00 0.52 -0.01 0.11 -0.13 0.00 0.00 178.44 178.93 2k8h h LYS 50 N 0.24 0.18 0.00 1.25 1.79 -1.89 -0.83 116.57 117.32 2k8h h LYS 50 Ca 0.04 -0.06 -0.11 0.00 -2.18 0.00 0.00 60.65 58.34 2k8h h LYS 50 Cb 0.57 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.19 2k8h h LYS 50 CO 0.04 0.45 -0.52 0.87 -1.08 0.00 0.00 179.45 179.21 2k8h h LYS 51 N -0.11 0.00 0.16 3.15 1.57 -1.81 -0.82 116.57 118.71 2k8h h LYS 51 Ca 0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2k8h h LYS 51 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2k8h h LYS 51 CO 0.01 0.52 -0.08 -0.07 -0.57 0.00 0.00 179.45 179.26 2k8h h LEU 52 N 0.00 -0.18 -0.89 2.94 4.07 -0.85 -0.22 115.31 120.18 2k8h h LEU 52 Ca -0.01 -0.33 -0.11 0.00 0.08 0.00 0.00 57.88 57.51 2k8h h LEU 52 Cb 1.01 0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.79 2k8h h LEU 52 CO 0.07 0.28 -0.45 -0.29 -1.08 0.00 0.00 178.44 176.98 2k8h h ILE 53 N -0.71 1.32 -0.31 1.22 2.10 -1.19 -0.81 117.51 119.14 2k8h h ILE 53 Ca -0.02 -1.60 -0.17 0.00 1.08 0.00 0.00 64.86 64.15 2k8h h ILE 53 Cb 0.50 1.74 -0.00 0.00 -1.09 0.00 0.00 36.82 37.97 2k8h h ILE 53 CO 0.04 0.48 -0.46 -0.78 -1.08 0.00 0.00 178.15 176.35 2k8h h ASP 54 N 0.20 0.93 -0.08 2.19 3.58 -1.18 -1.10 116.42 120.97 2k8h h ASP 54 Ca 0.01 -0.51 -0.21 0.00 0.42 0.00 0.00 57.03 56.74 2k8h h ASP 54 Cb 0.87 -0.27 0.01 0.00 1.72 0.00 0.00 39.33 41.66 2k8h h ASP 54 CO 0.07 1.26 -0.75 0.74 -2.88 0.00 0.00 179.24 177.68 2k8h h THR 55 N 0.63 1.30 -0.30 2.25 2.02 -0.93 -0.86 112.91 117.02 2k8h h THR 55 Ca 0.03 -1.98 -0.08 0.00 0.77 0.00 0.00 66.41 65.15 2k8h h THR 55 Cb 1.06 1.98 -0.01 0.00 -1.74 0.00 0.00 68.15 69.44 2k8h h THR 55 CO 0.11 0.62 -0.11 1.88 0.37 0.00 0.00 175.52 178.39 2k8h h TYR 56 N 0.50 0.68 -0.33 3.16 0.05 -1.16 0.17 116.97 120.04 2k8h h TYR 56 Ca -0.04 -0.16 -0.14 0.00 0.05 0.00 0.00 58.73 58.43 2k8h h TYR 56 Cb 1.37 -0.16 -0.00 0.00 1.01 0.00 0.00 36.73 38.94 2k8h h TYR 56 CO 0.08 0.81 -0.35 0.00 -1.05 0.00 0.00 178.16 177.65 2k8h h LYS 58 N 0.60 0.89 -0.19 0.00 3.64 -1.14 -0.14 116.57 120.23 2k8h h LYS 58 Ca 0.05 -0.43 -0.03 0.00 -1.27 0.00 0.00 60.65 58.97 2k8h h LYS 58 Cb 0.94 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 2k8h h LYS 58 CO 0.09 1.08 -0.01 0.87 -2.27 0.00 0.00 179.45 179.20 2k8h h LYS 59 N 0.70 0.35 0.00 1.90 1.57 -0.65 -2.61 116.57 117.82 2k8h h LYS 59 Ca 0.08 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2k8h h LYS 59 Cb 0.86 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.14 2k8h h LYS 59 CO 0.08 0.56 0.00 1.96 -0.57 0.00 0.00 179.45 181.48 2k8h h GLN 60 N 0.09 0.00 -0.01 3.15 4.20 -1.20 -3.46 115.11 117.89 2k8h h GLN 60 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 2k8h h GLN 60 Cb 0.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.19 2k8h h GLN 60 CO 0.01 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.58 2k8h n GLY 61 N -0.72 0.68 2.90 3.46 0.00 -0.93 -5.07 105.19 105.50 2k8h n GLY 61 Ca -0.02 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.01 0.18 1.25 -0.61 -5.25 -0.11 -5.04 121.20 109.61 2k8h s ILE 62 Ca 0.00 -0.08 -0.17 0.00 -0.99 0.00 0.00 60.65 59.41 2k8h s ILE 62 Cb 0.00 -0.17 0.28 0.00 2.95 0.00 0.00 42.46 45.52 2k8h s ILE 62 CO 0.00 0.06 0.76 -1.20 -1.79 0.00 0.00 174.94 172.78 2k8h n SER 63 N 3.14 -2.61 -2.43 4.36 7.64 -1.26 -4.09 113.62 118.38 2k8h n SER 63 Ca -0.14 -0.37 -0.22 0.00 1.01 0.00 0.00 58.87 59.15 2k8h n SER 63 Cb 0.58 -1.11 -0.11 0.00 -1.01 0.00 0.00 64.21 62.56 2k8h n SER 63 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2k8h n ARG 64 N -4.55 2.55 -2.71 1.43 0.63 -1.26 -4.24 116.66 108.51 2k8h n ARG 64 Ca 0.05 -1.71 -0.06 0.00 -0.92 0.00 0.00 57.85 55.20 2k8h n ARG 64 Cb 0.56 -2.20 0.04 0.00 0.45 0.00 0.00 32.46 31.31 2k8h n ARG 64 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2k8h n ASN 65 N 2.17 1.51 -0.82 6.15 3.02 -1.26 -4.83 115.26 121.20 2k8h n ASN 65 Ca 0.51 -2.51 -0.03 0.00 -0.03 0.00 0.00 54.58 52.52 2k8h n ASN 65 Cb 0.67 -0.51 -0.03 0.00 -0.61 0.00 0.00 39.78 39.30 2k8h n ASN 65 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2k8h n SER 66 N -0.23 -0.49 -3.59 6.41 2.88 -1.26 -5.05 113.62 112.28 2k8h n SER 66 Ca 0.09 -1.00 -0.07 0.00 -1.33 0.00 0.00 58.87 56.56 2k8h n SER 66 Cb 0.81 0.16 -0.08 0.00 -0.75 0.00 0.00 64.21 64.35 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 -0.69 -0.40 2.46 -7.23 -1.26 -4.65 120.40 108.64 2k8h s VAL 67 Ca 0.00 0.11 -0.12 0.00 -1.81 0.00 0.00 61.98 60.16 2k8h s VAL 67 Cb 0.01 -0.74 0.04 0.00 0.56 0.00 0.00 36.38 36.26 2k8h s VAL 67 CO -0.00 0.03 0.25 -0.13 -0.31 0.00 0.00 175.10 174.93 2k8h s ARG 68 N 2.64 2.82 -0.36 4.82 0.52 -0.50 -4.94 118.95 123.95 2k8h s ARG 68 Ca 0.01 -1.16 -0.17 0.00 -0.52 0.00 0.00 55.73 53.89 2k8h s ARG 68 Cb -0.13 -3.81 -0.00 0.00 0.52 0.00 0.00 34.95 31.53 2k8h s ARG 68 CO -0.14 -0.78 0.47 -0.06 0.02 0.00 0.00 175.30 174.81 2k8h s PHE 69 N 1.56 3.18 0.12 -0.53 0.40 -1.26 -1.35 117.98 120.10 2k8h s PHE 69 Ca 0.03 0.03 0.09 0.00 -0.60 0.00 0.00 56.93 56.48 2k8h s PHE 69 Cb -0.20 -2.87 -0.04 0.00 0.51 0.00 0.00 43.02 40.42 2k8h s PHE 69 CO 0.06 -0.55 -0.22 -0.48 0.70 0.00 0.00 175.22 174.73 2k8h s LEU 70 N 2.28 2.33 -0.29 -0.37 0.05 -0.92 -0.94 118.68 120.82 2k8h s LEU 70 Ca 0.16 -0.74 0.03 0.00 0.05 0.00 0.00 54.13 53.63 2k8h s LEU 70 Cb -0.16 -0.99 0.07 0.00 -2.05 0.00 0.00 46.19 43.07 2k8h s LEU 70 CO 0.13 0.08 -0.05 0.12 -0.55 0.00 0.00 176.35 176.09 2k8h s PHE 71 N -1.28 3.39 -1.96 3.48 5.36 -0.35 -1.30 117.98 125.32 2k8h s PHE 71 Ca 0.11 -2.53 0.00 0.00 -0.96 0.00 0.00 56.93 53.55 2k8h s PHE 71 Cb -0.09 -2.25 0.00 0.00 -0.34 0.00 0.00 43.02 40.34 2k8h s PHE 71 CO 0.05 -0.90 0.00 -3.47 -1.46 0.00 0.00 175.22 169.44 2k8h n ASP 72 N 4.38 -5.16 0.00 6.13 2.03 -1.26 -1.11 116.55 121.57 2k8h n ASP 72 Ca -0.08 0.39 0.00 0.00 0.52 0.00 0.00 54.79 55.62 2k8h n ASP 72 Cb 0.42 -4.53 0.00 0.00 -0.72 0.00 0.00 41.12 36.29 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 -0.48 1.11 3.16 0.27 0.00 -1.26 -5.06 105.19 102.93 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 -0.56 2.61 -4.23 -0.27 -5.04 115.64 110.56 2k8h s THR 74 Ca 0.00 -3.09 -0.27 0.00 -1.18 0.00 0.00 61.69 57.15 2k8h s THR 74 Cb 0.00 -3.78 -0.02 0.00 1.34 0.00 0.00 72.50 70.04 2k8h s THR 74 CO 0.00 -0.98 1.83 -2.16 -0.54 0.00 0.00 174.62 172.77 2k8h s PRO 75 N -0.38 2.77 0.00 3.99 0.04 -1.26 -1.21 135.00 138.95 2k8h s PRO 75 Ca 0.20 0.74 -0.08 0.00 0.04 0.00 0.00 61.00 61.90 2k8h s PRO 75 Cb -0.14 -4.34 0.00 0.00 0.04 0.00 0.00 34.50 30.05 2k8h s PRO 75 CO -0.07 -2.56 0.16 0.42 0.04 0.00 0.00 177.00 175.00 2k8h s ILE 76 N 8.60 0.08 -0.50 0.56 1.01 -0.12 -4.38 121.20 126.45 2k8h s ILE 76 Ca 0.69 -0.66 0.04 0.00 0.00 0.00 0.00 60.65 60.72 2k8h s ILE 76 Cb -0.14 -0.45 0.13 0.00 0.01 0.00 0.00 42.46 42.01 2k8h s ILE 76 CO 0.23 -0.36 0.25 -0.62 0.00 0.00 0.00 174.94 174.44 2k8h s ASP 77 N -1.37 4.25 -0.11 3.58 2.15 -1.26 -4.55 116.67 119.36 2k8h s ASP 77 Ca -0.14 -2.94 -0.33 0.00 0.43 0.00 0.00 52.55 49.56 2k8h s ASP 77 Cb -0.07 -1.57 0.14 0.00 -0.30 0.00 0.00 42.92 41.12 2k8h s ASP 77 CO 0.02 -0.24 1.38 -1.61 -0.17 0.00 0.00 175.17 174.55 2k8h s GLU 78 N -0.18 0.14 -0.11 4.34 2.02 -1.26 -5.00 118.70 118.65 2k8h s GLU 78 Ca 0.17 -0.07 0.16 0.00 0.02 0.00 0.00 54.97 55.24 2k8h s GLU 78 Cb -0.26 0.05 0.26 0.00 0.10 0.00 0.00 34.13 34.28 2k8h s GLU 78 CO -0.00 -0.06 1.13 -2.37 0.02 0.00 0.00 175.26 173.98 2k8h n THR 79 N -0.40 1.61 0.11 3.63 5.66 -1.26 -4.52 114.28 119.11 2k8h n THR 79 Ca -0.07 -1.99 0.00 0.00 -3.05 0.00 0.00 64.05 58.95 2k8h n THR 79 Cb 0.62 -0.11 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 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 -1.18 0.00 0.36 1.09 4.76 -1.26 -4.48 118.16 117.45 2k8h n LYS 80 Ca 0.14 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.43 2k8h n LYS 80 Cb 0.66 -0.17 -0.07 0.00 -1.84 0.00 0.00 35.03 33.61 2k8h n LYS 80 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 2k8h h THR 81 N 0.00 0.00 0.00 -0.18 1.35 -1.91 -1.26 112.91 110.91 2k8h h THR 81 Ca 0.00 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 2k8h h THR 81 Cb 0.02 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.44 2k8h h THR 81 CO 0.00 0.00 0.00 1.55 -0.25 0.00 0.00 175.52 176.82 2k8h h PRO 82 N -1.05 0.00 0.03 4.72 0.13 -1.92 -0.61 132.00 133.30 2k8h h PRO 82 Ca -0.10 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.03 2k8h h PRO 82 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2k8h h PRO 82 CO 0.16 0.00 -0.02 1.49 -0.23 0.00 0.00 178.00 179.40 2k8h h GLU 83 N 0.00 -0.04 0.00 0.86 4.22 -1.78 -0.17 114.58 117.68 2k8h h GLU 83 Ca 0.00 0.00 -0.19 0.00 0.08 0.00 0.00 59.36 59.25 2k8h h GLU 83 Cb 0.48 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2k8h h GLU 83 CO 0.00 0.62 -0.87 1.05 -2.18 0.00 0.00 179.01 177.63 2k8h h GLU 84 N -0.78 0.16 0.00 1.92 4.11 -1.20 -1.82 114.58 116.98 2k8h h GLU 84 Ca -0.00 -0.18 -0.21 0.00 0.07 0.00 0.00 59.36 59.04 2k8h h GLU 84 Cb 0.68 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 2k8h h GLU 84 CO 0.01 0.93 -0.90 1.25 0.07 0.00 0.00 179.01 180.37 2k8h h LEU 85 N 0.09 0.35 0.00 3.06 5.85 -1.21 -3.40 115.31 120.05 2k8h h LEU 85 Ca -0.04 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.40 2k8h h LEU 85 Cb 1.50 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.42 2k8h h LEU 85 CO 0.13 1.09 0.00 0.61 -0.34 0.00 0.00 178.44 179.93 2k8h n GLY 86 N 0.90 0.54 1.89 3.75 0.00 -0.07 -5.04 105.19 107.15 2k8h n GLY 86 Ca -0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.99 2k8h n GLY 86 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2k8h n MET 87 N -1.27 0.06 -2.11 1.61 0.00 -0.68 -5.05 117.12 109.67 2k8h n MET 87 Ca 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 57.70 57.36 2k8h n MET 87 Cb 0.00 0.56 -0.01 0.00 0.00 0.00 0.00 33.22 33.77 2k8h n MET 87 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 2k8h n GLU 88 N -0.45 0.08 0.00 3.17 0.28 -1.26 -4.53 120.64 117.94 2k8h n GLU 88 Ca 0.03 -0.44 0.00 0.00 -0.16 0.00 0.00 57.16 56.59 2k8h n GLU 88 Cb 0.27 0.39 0.00 0.00 1.43 0.00 0.00 31.44 33.53 2k8h n GLU 88 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2k8h n ASP 89 N -2.42 0.00 -2.29 -1.84 2.03 -1.26 -3.76 116.55 107.01 2k8h n ASP 89 Ca 0.01 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.04 2k8h n ASP 89 Cb 0.09 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.51 2k8h n ASP 89 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2k8h n ASP 90 N 2.39 5.43 -4.68 1.67 8.00 -1.23 -0.94 116.55 127.20 2k8h n ASP 90 Ca 0.00 -3.75 -0.44 0.00 0.71 0.00 0.00 54.79 51.31 2k8h n ASP 90 Cb 0.00 -0.52 -0.04 0.00 -0.02 0.00 0.00 41.12 40.54 2k8h n ASP 90 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2k8h n ASP 91 N -0.64 3.87 -4.73 -2.24 2.03 -0.46 -4.82 116.55 109.55 2k8h n ASP 91 Ca 0.46 0.97 -0.28 0.00 0.52 0.00 0.00 54.79 56.45 2k8h n ASP 91 Cb 0.76 -1.49 -0.07 0.00 -0.72 0.00 0.00 41.12 39.60 2k8h n ASP 91 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2k8h s VAL 92 N 3.39 4.19 -0.19 5.18 -7.23 -1.26 -1.03 120.40 123.45 2k8h s VAL 92 Ca 0.86 -1.06 -0.04 0.00 -1.81 0.00 0.00 61.98 59.93 2k8h s VAL 92 Cb -0.53 -3.06 0.08 0.00 0.56 0.00 0.00 36.38 33.43 2k8h s VAL 92 CO 0.42 0.01 0.18 0.27 -0.31 0.00 0.00 175.10 175.68 2k8h s ILE 93 N -1.53 -0.26 -0.41 -0.62 -4.36 -0.55 -4.60 121.20 108.87 2k8h s ILE 93 Ca 0.28 -0.12 -0.20 0.00 -0.26 0.00 0.00 60.65 60.36 2k8h s ILE 93 Cb -0.11 -0.64 0.02 0.00 1.25 0.00 0.00 42.46 42.98 2k8h s ILE 93 CO 0.20 -0.22 0.58 -1.81 0.24 0.00 0.00 174.94 173.93 2k8h s ASP 94 N 2.27 6.30 -0.23 4.36 1.01 -0.42 -1.33 116.67 128.64 2k8h s ASP 94 Ca 0.05 -0.31 -0.23 0.00 0.71 0.00 0.00 52.55 52.77 2k8h s ASP 94 Cb -0.16 -2.29 -0.01 0.00 1.01 0.00 0.00 42.92 41.47 2k8h s ASP 94 CO -0.11 -0.67 0.73 0.00 0.21 0.00 0.00 175.17 175.33 2k8h s ALA 95 N 2.60 3.60 0.14 5.23 0.00 -0.41 -2.17 121.76 130.74 2k8h s ALA 95 Ca 0.20 -0.22 0.07 0.00 0.00 0.00 0.00 51.96 52.01 2k8h s ALA 95 Cb -0.15 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 2k8h s ALA 95 CO 0.17 -0.77 -0.17 1.41 0.00 0.00 0.00 175.76 176.39 2k8h s MET 96 N 2.45 1.16 -0.14 0.00 1.75 -0.45 -4.14 119.30 119.92 2k8h s MET 96 Ca 0.32 -1.30 -0.05 0.00 -1.25 0.00 0.00 55.69 53.40 2k8h s MET 96 Cb -0.16 -1.18 -0.04 0.00 2.84 0.00 0.00 34.83 36.29 2k8h s MET 96 CO 0.09 0.24 0.04 0.14 -0.65 0.00 0.00 175.02 174.88 2k8h s VAL 97 N -1.93 4.61 -0.25 10.11 -7.23 -1.26 -1.41 120.40 123.04 2k8h s VAL 97 Ca 0.12 -0.11 0.12 0.00 -1.81 0.00 0.00 61.98 60.29 2k8h s VAL 97 Cb -0.06 -3.02 0.51 0.00 0.56 0.00 0.00 36.38 34.37 2k8h s VAL 97 CO 0.05 0.53 1.45 1.21 -0.31 0.00 0.00 175.10 178.04 2k8h n GLU 98 N 2.89 2.18 -3.82 4.82 2.13 -1.26 -5.01 120.64 122.57 2k8h n GLU 98 Ca -0.18 -3.05 -0.03 0.00 0.66 0.00 0.00 57.16 54.56 2k8h n GLU 98 Cb 0.53 -1.83 0.01 0.00 0.27 0.00 0.00 31.44 30.42 2k8h n GLU 98 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 2k8h s GLN 99 N -3.10 1.23 -0.83 5.31 0.74 -1.26 -5.10 119.66 116.65 2k8h s GLN 99 Ca 0.44 -0.75 -0.22 0.00 0.05 0.00 0.00 55.36 54.87 2k8h s GLN 99 Cb 0.38 0.37 0.07 0.00 1.10 0.00 0.00 33.01 34.94 2k8h s GLN 99 CO 0.03 -0.57 1.17 0.95 -0.55 0.00 0.00 175.29 176.32 2k8h s THR 100 N -2.56 4.23 -3.26 -0.34 -4.23 -1.26 -4.84 115.64 103.38 2k8h s THR 100 Ca 0.18 -0.64 0.00 0.00 -1.18 0.00 0.00 61.69 60.05 2k8h s THR 100 Cb -0.02 -4.84 0.00 0.00 1.34 0.00 0.00 72.50 68.99 2k8h s THR 100 CO 0.04 -1.65 0.00 0.61 -0.54 0.00 0.00 174.62 173.08 2k8h n GLY 101 N 5.73 -0.60 3.02 3.99 0.00 -1.26 -5.24 105.19 110.83 2k8h n GLY 101 Ca 0.13 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2k8h n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93