#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 -0.48 -0.30 7.83 0.01 -1.26 -5.17 113.70 114.34 2k8h s SER 2 Ca 0.00 0.48 -0.17 0.00 1.31 0.00 0.00 55.95 57.57 2k8h s SER 2 Cb 0.00 0.40 0.18 0.00 0.21 0.00 0.00 66.02 66.81 2k8h s SER 2 CO 0.00 -0.48 1.10 0.54 0.41 0.00 0.00 173.24 174.81 2k8h s ASN 3 N -1.29 -0.38 0.36 2.44 2.20 -1.26 -5.18 114.94 111.83 2k8h s ASN 3 Ca -0.05 0.52 0.02 0.00 -0.94 0.00 0.00 52.86 52.41 2k8h s ASN 3 Cb -0.00 1.41 -0.00 0.00 -2.00 0.00 0.00 41.25 40.65 2k8h s ASN 3 CO 0.04 -0.07 0.43 0.54 -2.94 0.00 0.00 177.10 175.09 2k8h s ASN 4 N 2.19 1.31 0.00 3.54 2.20 -1.26 -5.18 114.94 117.74 2k8h s ASN 4 Ca -0.02 -1.63 0.00 0.00 -0.94 0.00 0.00 52.86 50.27 2k8h s ASN 4 Cb -0.04 0.65 0.00 0.00 -2.00 0.00 0.00 41.25 39.86 2k8h s ASN 4 CO -0.17 -1.26 0.00 0.61 -2.94 0.00 0.00 177.10 173.34 2k8h n GLY 5 N -0.62 1.82 0.84 0.45 0.00 -1.26 -5.19 105.19 101.24 2k8h n GLY 5 Ca 0.03 -0.78 -0.06 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.50 3.83 3.85 -0.02 0.00 -1.26 -5.16 105.19 105.93 2k8h n GLY 6 Ca 0.00 -1.87 -0.22 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.38 2.98 0.81 1.61 8.01 -1.26 -4.95 118.70 123.53 2k8h s GLU 7 Ca 0.07 -1.04 -0.11 0.00 0.01 0.00 0.00 54.97 53.91 2k8h s GLU 7 Cb 0.00 -2.60 0.08 0.00 -4.31 0.00 0.00 34.13 27.30 2k8h s GLU 7 CO 0.05 0.37 1.09 -1.25 0.01 0.00 0.00 175.26 175.54 2k8h s PRO 8 N -3.88 1.92 -0.33 0.39 0.04 -1.26 -4.55 135.00 127.33 2k8h s PRO 8 Ca 0.34 1.06 0.04 0.00 0.04 0.00 0.00 61.00 62.48 2k8h s PRO 8 Cb -0.08 -1.87 0.31 0.00 0.04 0.00 0.00 34.50 32.90 2k8h s PRO 8 CO 0.26 -1.85 1.37 0.45 0.04 0.00 0.00 177.00 177.27 2k8h n SER 9 N -3.65 -1.24 -3.30 6.66 2.88 -1.26 -4.99 113.62 108.73 2k8h n SER 9 Ca 0.08 -1.88 -0.20 0.00 -1.33 0.00 0.00 58.87 55.54 2k8h n SER 9 Cb 0.54 1.16 0.15 0.00 -0.75 0.00 0.00 64.21 65.30 2k8h n SER 9 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2k8h n ASN 10 N 0.39 -0.31 -3.13 -3.46 6.94 -1.26 -4.66 115.26 109.77 2k8h n ASN 10 Ca -0.07 -1.26 -0.04 0.00 -0.02 0.00 0.00 54.58 53.19 2k8h n ASN 10 Cb 0.75 -0.70 0.01 0.00 -2.36 0.00 0.00 39.78 37.48 2k8h n ASN 10 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2k8h n ASN 11 N -3.74 -7.49 0.00 0.53 3.02 -1.26 -5.00 115.26 101.33 2k8h n ASN 11 Ca 0.11 -0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 2k8h n ASN 11 Cb 0.40 -5.13 0.00 0.00 -0.61 0.00 0.00 39.78 34.44 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 -1.69 -1.30 0.00 7.41 0.00 -1.26 -4.99 105.19 103.37 2k8h n GLY 12 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.56 -1.85 3.33 -0.02 0.00 -1.26 -5.17 105.19 100.79 2k8h n GLY 13 Ca 0.00 0.81 -0.30 0.00 0.00 0.00 0.00 46.02 46.53 2k8h n GLY 13 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2k8h n GLU 14 N 0.00 -4.14 0.00 1.61 0.28 -1.26 -4.55 120.64 112.58 2k8h n GLU 14 Ca 0.00 -1.59 0.00 0.00 -0.16 0.00 0.00 57.16 55.41 2k8h n GLU 14 Cb 0.00 -1.79 0.00 0.00 1.43 0.00 0.00 31.44 31.08 2k8h n GLU 14 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k8h n GLY 15 N -5.36 0.14 2.99 -1.84 0.00 -1.26 -5.01 105.19 94.85 2k8h n GLY 15 Ca 0.14 0.08 -0.08 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.81 -2.80 -3.11 4.61 0.00 -1.26 -5.04 120.51 110.11 2k8h n ALA 16 Ca 0.00 0.69 0.03 0.00 0.00 0.00 0.00 53.44 54.16 2k8h n ALA 16 Cb 0.00 -2.84 -0.00 0.00 0.00 0.00 0.00 19.45 16.61 2k8h n ALA 16 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2k8h s GLU 17 N -2.81 0.47 0.00 0.00 2.12 -1.26 -5.16 118.70 112.06 2k8h s GLU 17 Ca 0.16 0.15 0.00 0.00 0.36 0.00 0.00 54.97 55.64 2k8h s GLU 17 Cb -0.04 0.13 0.00 0.00 0.26 0.00 0.00 34.13 34.48 2k8h s GLU 17 CO 0.77 -0.78 0.00 0.41 -0.54 0.00 0.00 175.26 175.12 2k8h n GLY 18 N 4.81 1.01 2.09 -1.50 0.00 -1.26 -5.10 105.19 105.24 2k8h n GLY 18 Ca 0.08 -0.31 -0.16 0.00 0.00 0.00 0.00 46.02 45.62 2k8h n GLY 18 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k8h n THR 19 N -0.03 0.00 -3.35 2.61 -2.24 -1.26 -5.09 114.28 104.91 2k8h n THR 19 Ca 0.00 -0.48 -0.10 0.00 -2.27 0.00 0.00 64.05 61.21 2k8h n THR 19 Cb 0.00 -1.58 -0.08 0.00 -2.10 0.00 0.00 70.33 66.56 2k8h n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k8h n LYS 21 N 5.36 0.00 0.00 0.00 5.02 -1.26 -5.12 118.16 122.16 2k8h n LYS 21 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 2k8h n LYS 21 Cb 0.50 -0.02 0.00 0.00 -0.02 0.00 0.00 35.03 35.49 2k8h n LYS 21 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2k8h n GLU 22 N -1.87 0.00 -1.27 1.97 2.13 -1.26 -5.17 120.64 115.17 2k8h n GLU 22 Ca 0.00 0.00 0.16 0.00 0.66 0.00 0.00 57.16 57.98 2k8h n GLU 22 Cb 0.00 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.63 2k8h n GLU 22 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2k8h n GLU 23 N -1.67 -2.87 -3.59 5.31 4.71 -1.26 -4.93 120.64 116.34 2k8h n GLU 23 Ca 0.00 2.29 -0.24 0.00 -0.01 0.00 0.00 57.16 59.20 2k8h n GLU 23 Cb 0.00 -3.38 -0.16 0.00 -1.01 0.00 0.00 31.44 26.89 2k8h n GLU 23 CO 0.00 0.00 0.00 -0.08 0.09 0.00 0.00 177.13 177.14 2k8h s THR 24 N -3.80 -0.14 -0.03 2.62 -1.32 -1.26 -5.04 115.64 106.67 2k8h s THR 24 Ca 0.00 -0.11 -0.30 0.00 -1.21 0.00 0.00 61.69 60.08 2k8h s THR 24 Cb 0.00 -0.56 0.11 0.00 -1.51 0.00 0.00 72.50 70.54 2k8h s THR 24 CO 0.00 -0.23 0.93 0.00 -2.21 0.00 0.00 174.62 173.11 2k8h s ALA 25 N 2.18 -1.86 -0.07 11.08 0.00 -1.26 -5.05 121.76 126.78 2k8h s ALA 25 Ca 0.03 1.10 -0.01 0.00 0.00 0.00 0.00 51.96 53.08 2k8h s ALA 25 Cb -0.16 0.34 0.03 0.00 0.00 0.00 0.00 23.12 23.33 2k8h s ALA 25 CO -0.09 -0.67 -0.02 -0.51 0.00 0.00 0.00 175.76 174.47 2k8h s LEU 26 N -2.43 0.77 -0.02 0.00 1.02 -1.26 -3.42 118.68 113.33 2k8h s LEU 26 Ca 0.06 -0.12 0.01 0.00 0.02 0.00 0.00 54.13 54.09 2k8h s LEU 26 Cb -0.01 -0.50 0.01 0.00 0.02 0.00 0.00 46.19 45.71 2k8h s LEU 26 CO -0.08 -0.16 -0.04 -0.69 0.02 0.00 0.00 176.35 175.39 2k8h s VAL 27 N 1.80 0.41 -0.02 -1.59 1.01 -0.47 -4.68 120.40 116.86 2k8h s VAL 27 Ca 0.03 -0.12 -0.17 0.00 0.00 0.00 0.00 61.98 61.73 2k8h s VAL 27 Cb -0.13 -0.42 -0.05 0.00 0.00 0.00 0.00 36.38 35.78 2k8h s VAL 27 CO -0.05 0.17 0.46 0.00 0.00 0.00 0.00 175.10 175.67 2k8h s ALA 28 N 0.53 3.61 0.01 5.51 0.00 -0.14 -1.46 121.76 129.82 2k8h s ALA 28 Ca -0.06 -0.16 0.08 0.00 0.00 0.00 0.00 51.96 51.81 2k8h s ALA 28 Cb -0.10 -2.51 -0.02 0.00 0.00 0.00 0.00 23.12 20.49 2k8h s ALA 28 CO -0.00 0.31 -0.23 0.08 0.00 0.00 0.00 175.76 175.92 2k8h s VAL 29 N -0.54 1.82 -0.18 0.00 1.01 -0.48 -1.62 120.40 120.39 2k8h s VAL 29 Ca 0.25 -1.12 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 2k8h s VAL 29 Cb -0.17 -1.54 0.05 0.00 0.00 0.00 0.00 36.38 34.73 2k8h s VAL 29 CO 0.13 0.39 -0.02 -0.75 0.00 0.00 0.00 175.10 174.85 2k8h s LYS 30 N -0.87 1.15 -0.26 2.72 2.20 -0.33 -1.38 119.74 122.97 2k8h s LYS 30 Ca 0.09 -0.54 -0.14 0.00 -0.36 0.00 0.00 55.97 55.03 2k8h s LYS 30 Cb -0.09 -2.09 -0.04 0.00 -1.51 0.00 0.00 37.83 34.10 2k8h s LYS 30 CO 0.01 -0.53 0.31 0.54 -0.36 0.00 0.00 175.35 175.32 2k8h s VAL 31 N 1.69 5.23 0.29 4.02 0.11 -0.41 -1.50 120.40 129.83 2k8h s VAL 31 Ca -0.01 0.45 0.09 0.00 -2.93 0.00 0.00 61.98 59.58 2k8h s VAL 31 Cb -0.16 -3.64 -0.04 0.00 -1.53 0.00 0.00 36.38 31.00 2k8h s VAL 31 CO -0.07 0.21 0.03 0.68 -3.33 0.00 0.00 175.10 172.62 2k8h s VAL 32 N 1.83 3.28 0.07 2.04 -7.23 -0.36 -1.38 120.40 118.65 2k8h s VAL 32 Ca 0.13 -1.87 0.03 0.00 -1.81 0.00 0.00 61.98 58.46 2k8h s VAL 32 Cb -0.16 -2.88 -0.03 0.00 0.56 0.00 0.00 36.38 33.88 2k8h s VAL 32 CO 0.10 -0.31 -0.10 0.20 -0.31 0.00 0.00 175.10 174.67 2k8h s ASN 33 N -3.72 1.28 0.59 4.85 -0.87 -0.92 -1.31 114.94 114.84 2k8h s ASN 33 Ca 0.33 -0.71 0.33 0.00 -1.57 0.00 0.00 52.86 51.25 2k8h s ASN 33 Cb -0.05 0.01 1.88 0.00 -0.02 0.00 0.00 41.25 43.08 2k8h s ASN 33 CO 0.20 -0.23 2.23 0.00 -2.57 0.00 0.00 177.10 176.74 2k8h h ALA 34 N 3.95 1.30 0.00 0.60 0.00 -1.89 -0.80 119.26 122.41 2k8h h ALA 34 Ca -0.37 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.40 2k8h h ALA 34 Cb 1.19 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2k8h h ALA 34 CO 0.48 0.04 -0.60 0.22 0.00 0.00 0.00 179.25 179.38 2k8h h ASP 35 N 0.00 0.00 0.00 0.00 3.58 -1.95 -3.48 116.42 114.57 2k8h h ASP 35 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k8h h ASP 35 Cb 0.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.15 2k8h h ASP 35 CO 0.00 0.51 0.00 0.61 -2.88 0.00 0.00 179.24 177.49 2k8h n GLY 36 N 1.24 2.88 3.69 -0.78 0.00 -0.31 -5.08 105.19 106.84 2k8h n GLY 36 Ca 0.01 -0.80 -0.52 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.66 4.61 0.00 -1.26 -4.52 120.51 117.01 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 -0.07 0.00 0.00 0.00 0.00 19.45 17.03 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 3.48 0.88 -0.23 0.00 -1.05 -1.26 -2.17 118.70 118.34 2k8h s GLU 38 Ca 0.94 -0.88 -0.20 0.00 -0.15 0.00 0.00 54.97 54.68 2k8h s GLU 38 Cb -0.87 0.36 0.06 0.00 -0.44 0.00 0.00 34.13 33.25 2k8h s GLU 38 CO 0.57 -0.29 0.61 0.00 0.95 0.00 0.00 175.26 177.10 2k8h s MET 39 N -3.75 0.69 0.07 -4.83 0.23 -0.48 -5.00 119.30 106.23 2k8h s MET 39 Ca 0.04 0.90 0.08 0.00 -1.03 0.00 0.00 55.69 55.68 2k8h s MET 39 Cb 0.04 0.29 -0.03 0.00 -1.53 0.00 0.00 34.83 33.60 2k8h s MET 39 CO -0.11 -0.10 -0.21 -0.59 -2.03 0.00 0.00 175.02 171.99 2k8h s PHE 40 N 0.60 1.80 0.03 3.16 -0.71 -1.26 -1.28 117.98 120.31 2k8h s PHE 40 Ca -0.02 -0.39 -0.27 0.00 -1.04 0.00 0.00 56.93 55.20 2k8h s PHE 40 Cb -0.05 -1.03 0.07 0.00 -1.21 0.00 0.00 43.02 40.80 2k8h s PHE 40 CO -0.03 0.15 0.63 -0.06 -1.34 0.00 0.00 175.22 174.56 2k8h s PHE 41 N -0.97 -0.58 -0.23 3.49 0.08 -0.48 -5.00 117.98 114.29 2k8h s PHE 41 Ca 0.07 0.78 -0.17 0.00 0.12 0.00 0.00 56.93 57.74 2k8h s PHE 41 Cb -0.09 0.44 -0.03 0.00 -0.57 0.00 0.00 43.02 42.76 2k8h s PHE 41 CO 0.03 -0.68 0.44 -0.98 -0.10 0.00 0.00 175.22 173.93 2k8h s ARG 42 N -2.12 4.11 0.03 0.44 1.70 -1.26 -1.39 118.95 120.46 2k8h s ARG 42 Ca -0.07 0.23 -0.02 0.00 -0.47 0.00 0.00 55.73 55.40 2k8h s ARG 42 Cb -0.00 -3.60 -0.02 0.00 -0.57 0.00 0.00 34.95 30.76 2k8h s ARG 42 CO 0.02 -0.20 0.02 0.42 -1.08 0.00 0.00 175.30 174.48 2k8h s ILE 43 N 1.81 0.13 0.21 4.99 1.09 -0.54 -4.97 121.20 123.92 2k8h s ILE 43 Ca 0.19 -1.07 -0.32 0.00 -1.10 0.00 0.00 60.65 58.36 2k8h s ILE 43 Cb -0.15 -0.62 -0.14 0.00 -1.06 0.00 0.00 42.46 40.49 2k8h s ILE 43 CO 0.09 -0.59 1.46 0.29 -0.10 0.00 0.00 174.94 176.09 2k8h n LYS 44 N 1.17 2.06 -0.20 2.79 4.76 -1.26 -1.36 118.16 126.11 2k8h n LYS 44 Ca -0.21 0.74 0.24 0.00 -2.87 0.00 0.00 58.31 56.20 2k8h n LYS 44 Cb 0.57 -2.43 0.62 0.00 -1.84 0.00 0.00 35.03 31.95 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 4.75 0.21 -0.61 4.39 0.02 -1.83 -0.59 113.55 119.89 2k8h h SER 45 Ca -0.45 0.02 0.12 0.00 -0.84 0.00 0.00 61.79 60.64 2k8h h SER 45 Cb 1.27 -0.01 -0.09 0.00 0.14 0.00 0.00 62.40 63.71 2k8h h SER 45 CO 0.80 0.08 0.11 -0.09 -1.14 0.00 0.00 176.83 176.58 2k8h h ARG 46 N 0.20 0.22 -2.64 3.45 1.12 -1.86 -3.37 114.38 111.51 2k8h h ARG 46 Ca 0.44 -0.01 -0.50 0.00 -1.11 0.00 0.00 59.98 58.80 2k8h h ARG 46 Cb 1.42 -0.05 -0.39 0.00 -0.01 0.00 0.00 29.97 30.94 2k8h h ARG 46 CO -0.10 0.15 -0.76 0.95 -3.11 0.00 0.00 179.97 177.10 2k8h s THR 47 N -6.11 -0.11 0.06 0.20 -4.23 -0.23 -4.76 115.64 100.46 2k8h s THR 47 Ca -0.13 -0.82 0.00 0.00 -1.18 0.00 0.00 61.69 59.55 2k8h s THR 47 Cb 0.18 -0.99 0.00 0.00 1.34 0.00 0.00 72.50 73.03 2k8h s THR 47 CO 0.74 -0.71 0.00 0.00 -0.54 0.00 0.00 174.62 174.11 2k8h n ALA 48 N 5.10 3.00 0.18 3.99 0.00 -1.22 -4.33 120.51 127.24 2k8h n ALA 48 Ca -0.03 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.44 2k8h n ALA 48 Cb 0.42 0.26 0.38 0.00 0.00 0.00 0.00 19.45 20.52 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 0.05 0.12 0.00 7.12 -1.89 -0.33 115.31 120.39 2k8h h LEU 49 Ca 0.00 -0.02 -0.01 0.00 0.13 0.00 0.00 57.88 57.99 2k8h h LEU 49 Cb 0.41 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.52 2k8h h LEU 49 CO 0.00 0.35 -0.06 0.11 -0.13 0.00 0.00 178.44 178.71 2k8h h LYS 50 N 0.05 -0.15 0.00 1.25 1.79 -1.87 -1.07 116.57 116.56 2k8h h LYS 50 Ca 0.01 0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 58.37 2k8h h LYS 50 Cb 0.55 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.22 2k8h h LYS 50 CO 0.04 0.08 -0.53 -0.22 -1.08 0.00 0.00 179.45 177.74 2k8h h LYS 51 N -0.37 0.00 0.22 3.15 1.63 -1.81 -0.79 116.57 118.60 2k8h h LYS 51 Ca -0.02 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 2k8h h LYS 51 Cb 0.30 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 2k8h h LYS 51 CO 0.03 0.53 -0.10 -0.07 -3.45 0.00 0.00 179.45 176.38 2k8h h LEU 52 N 0.00 -0.25 -0.61 5.20 -0.00 -0.92 0.26 115.31 118.99 2k8h h LEU 52 Ca -0.01 -0.20 -0.15 0.00 -0.00 0.00 0.00 57.88 57.52 2k8h h LEU 52 Cb 1.02 0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 41.73 2k8h h LEU 52 CO 0.07 0.08 -0.63 -0.29 -0.00 0.00 0.00 178.44 177.67 2k8h h ILE 53 N -0.59 1.39 -0.27 1.22 2.10 -1.23 -0.88 117.51 119.25 2k8h h ILE 53 Ca -0.03 -2.03 -0.14 0.00 1.08 0.00 0.00 64.86 63.74 2k8h h ILE 53 Cb 0.43 2.03 -0.00 0.00 -1.09 0.00 0.00 36.82 38.20 2k8h h ILE 53 CO 0.05 0.60 -0.39 -0.78 -1.08 0.00 0.00 178.15 176.55 2k8h h ASP 54 N 0.18 0.81 0.01 2.19 3.58 -1.13 -0.96 116.42 121.11 2k8h h ASP 54 Ca -0.01 -0.51 -0.21 0.00 0.42 0.00 0.00 57.03 56.72 2k8h h ASP 54 Cb 1.14 -0.23 0.01 0.00 1.72 0.00 0.00 39.33 41.97 2k8h h ASP 54 CO 0.10 1.16 -0.78 0.74 -2.88 0.00 0.00 179.24 177.57 2k8h h THR 55 N 0.48 1.31 -0.32 2.25 2.02 -0.47 -1.02 112.91 117.15 2k8h h THR 55 Ca 0.03 -2.06 -0.09 0.00 0.77 0.00 0.00 66.41 65.06 2k8h h THR 55 Cb 0.98 2.06 -0.01 0.00 -1.74 0.00 0.00 68.15 69.43 2k8h h THR 55 CO 0.09 0.64 -0.16 0.22 0.37 0.00 0.00 175.52 176.68 2k8h h TYR 56 N 0.44 0.78 -0.09 3.16 5.03 -1.18 -0.09 116.97 125.02 2k8h h TYR 56 Ca -0.05 -0.20 -0.04 0.00 2.58 0.00 0.00 58.73 61.02 2k8h h TYR 56 Cb 1.39 -0.18 -0.00 0.00 1.55 0.00 0.00 36.73 39.49 2k8h h TYR 56 CO 0.07 0.90 -0.11 0.00 -1.32 0.00 0.00 178.16 177.70 2k8h h LYS 58 N -0.18 0.91 -0.22 0.00 1.57 -1.22 -0.78 116.57 116.65 2k8h h LYS 58 Ca 0.01 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 2k8h h LYS 58 Cb 0.64 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 2k8h h LYS 58 CO 0.03 0.70 0.01 0.87 -0.57 0.00 0.00 179.45 180.49 2k8h h LYS 59 N 0.88 0.38 0.00 3.15 1.79 -1.02 -2.54 116.57 119.21 2k8h h LYS 59 Ca 0.22 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 2k8h h LYS 59 Cb 0.07 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 2k8h h LYS 59 CO -0.03 0.56 0.00 0.37 -1.08 0.00 0.00 179.45 179.26 2k8h h GLN 60 N 0.15 0.00 0.00 3.15 4.15 -1.00 -3.46 115.11 118.11 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 0.38 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.07 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 -0.84 0.70 2.89 2.39 0.00 -0.69 -5.07 105.19 104.59 2k8h n GLY 61 Ca -0.02 -0.72 -0.16 0.00 0.00 0.00 0.00 46.02 45.13 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 0.26 1.25 -0.61 -5.25 -0.38 -5.03 121.20 109.43 2k8h s ILE 62 Ca 0.00 -0.08 -0.16 0.00 -0.99 0.00 0.00 60.65 59.42 2k8h s ILE 62 Cb 0.00 -0.26 0.29 0.00 2.95 0.00 0.00 42.46 45.44 2k8h s ILE 62 CO 0.00 0.11 0.82 -1.20 -1.79 0.00 0.00 174.94 172.88 2k8h n SER 63 N 3.39 -2.52 -2.45 4.36 7.64 -1.26 -4.06 113.62 118.71 2k8h n SER 63 Ca -0.18 -0.36 -0.24 0.00 1.01 0.00 0.00 58.87 59.11 2k8h n SER 63 Cb 0.56 -1.14 -0.09 0.00 -1.01 0.00 0.00 64.21 62.53 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 -4.74 2.53 -2.66 1.43 0.00 -1.26 -4.31 116.66 107.65 2k8h n ARG 64 Ca 0.04 -1.96 -0.09 0.00 -0.00 0.00 0.00 57.85 55.85 2k8h n ARG 64 Cb 0.56 -2.18 0.03 0.00 -0.00 0.00 0.00 32.46 30.87 2k8h n ARG 64 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 2k8h n ASN 65 N 1.69 1.87 -1.08 2.89 0.23 -1.26 -4.82 115.26 114.78 2k8h n ASN 65 Ca 0.50 -2.68 -0.00 0.00 -0.53 0.00 0.00 54.58 51.87 2k8h n ASN 65 Cb 0.64 -0.51 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 2k8h n ASN 65 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2k8h n SER 66 N -0.24 -0.05 -3.65 0.53 2.88 -1.26 -5.03 113.62 106.79 2k8h n SER 66 Ca 0.12 -0.61 -0.08 0.00 -1.33 0.00 0.00 58.87 56.98 2k8h n SER 66 Cb 0.81 0.02 -0.09 0.00 -0.75 0.00 0.00 64.21 64.20 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 -0.41 2.46 -7.23 -1.26 -4.87 120.40 108.40 2k8h s VAL 67 Ca 0.00 0.15 -0.18 0.00 -1.81 0.00 0.00 61.98 60.14 2k8h s VAL 67 Cb 0.01 -0.71 0.02 0.00 0.56 0.00 0.00 36.38 36.26 2k8h s VAL 67 CO -0.00 0.06 0.48 -0.60 -0.31 0.00 0.00 175.10 174.72 2k8h s ARG 68 N 2.65 3.20 -0.50 4.82 6.06 -0.48 -4.94 118.95 129.77 2k8h s ARG 68 Ca -0.02 -0.62 -0.17 0.00 -2.50 0.00 0.00 55.73 52.42 2k8h s ARG 68 Cb -0.12 -3.94 0.07 0.00 0.06 0.00 0.00 34.95 31.02 2k8h s ARG 68 CO -0.14 -0.84 0.52 -0.06 -2.50 0.00 0.00 175.30 172.29 2k8h s PHE 69 N 2.28 3.14 0.16 5.12 0.40 -1.26 -1.40 117.98 126.42 2k8h s PHE 69 Ca 0.15 -0.77 0.09 0.00 -0.60 0.00 0.00 56.93 55.80 2k8h s PHE 69 Cb -0.16 -3.42 -0.04 0.00 0.51 0.00 0.00 43.02 39.90 2k8h s PHE 69 CO 0.14 -0.95 -0.16 -0.48 0.70 0.00 0.00 175.22 174.48 2k8h s LEU 70 N 2.15 2.75 -0.27 -0.37 0.05 -1.22 -0.98 118.68 120.80 2k8h s LEU 70 Ca 0.09 -0.64 0.00 0.00 0.05 0.00 0.00 54.13 53.64 2k8h s LEU 70 Cb -0.22 -1.50 0.08 0.00 -2.05 0.00 0.00 46.19 42.49 2k8h s LEU 70 CO 0.09 0.13 0.02 0.12 -0.55 0.00 0.00 176.35 176.16 2k8h s PHE 71 N -1.50 2.24 -1.42 3.48 5.36 -0.36 -1.11 117.98 124.67 2k8h s PHE 71 Ca 0.21 -1.83 -0.02 0.00 -0.96 0.00 0.00 56.93 54.33 2k8h s PHE 71 Cb -0.09 -1.76 0.01 0.00 -0.34 0.00 0.00 43.02 40.84 2k8h s PHE 71 CO 0.12 -0.81 0.17 -3.47 -1.46 0.00 0.00 175.22 169.77 2k8h n ASP 72 N 4.70 -4.96 0.00 6.13 2.03 -1.26 -0.96 116.55 122.24 2k8h n ASP 72 Ca -0.06 -0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.22 2k8h n ASP 72 Cb 0.44 -4.12 0.00 0.00 -0.72 0.00 0.00 41.12 36.71 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 -1.05 0.97 3.14 0.27 0.00 -1.26 -5.04 105.19 102.21 2k8h n GLY 73 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 2k8h n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k8h s THR 74 N -2.00 4.39 -0.73 2.61 2.01 -0.13 -5.03 115.64 116.76 2k8h s THR 74 Ca 0.00 -3.49 -0.26 0.00 0.31 0.00 0.00 61.69 58.26 2k8h s THR 74 Cb 0.00 -3.75 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 2k8h s THR 74 CO 0.00 -1.03 1.90 -2.16 -0.69 0.00 0.00 174.62 172.63 2k8h s PRO 75 N -0.88 2.59 0.00 4.92 0.04 -1.26 -1.22 135.00 139.19 2k8h s PRO 75 Ca 0.24 0.24 -0.12 0.00 0.04 0.00 0.00 61.00 61.40 2k8h s PRO 75 Cb -0.11 -4.66 0.01 0.00 0.04 0.00 0.00 34.50 29.78 2k8h s PRO 75 CO -0.09 -3.00 0.25 0.42 0.04 0.00 0.00 177.00 174.62 2k8h s ILE 76 N 9.50 0.07 -0.52 0.56 1.01 -0.15 -4.94 121.20 126.73 2k8h s ILE 76 Ca 0.68 -0.61 0.04 0.00 0.00 0.00 0.00 60.65 60.76 2k8h s ILE 76 Cb -0.10 -0.65 0.13 0.00 0.01 0.00 0.00 42.46 41.85 2k8h s ILE 76 CO 0.12 -0.34 0.27 1.51 0.00 0.00 0.00 174.94 176.50 2k8h s ASP 77 N -1.54 4.27 -0.19 3.58 -4.77 -1.26 -4.53 116.67 112.22 2k8h s ASP 77 Ca -0.12 -3.03 -0.36 0.00 -3.30 0.00 0.00 52.55 45.75 2k8h s ASP 77 Cb -0.05 -1.58 0.15 0.00 -1.09 0.00 0.00 42.92 40.36 2k8h s ASP 77 CO 0.02 -0.23 1.40 -1.61 0.70 0.00 0.00 175.17 175.45 2k8h s GLU 78 N -0.30 0.05 -0.15 2.11 0.41 -1.26 -4.62 118.70 114.94 2k8h s GLU 78 Ca 0.18 -0.02 0.16 0.00 -0.41 0.00 0.00 54.97 54.87 2k8h s GLU 78 Cb -0.25 0.02 0.66 0.00 -1.78 0.00 0.00 34.13 32.78 2k8h s GLU 78 CO -0.01 -0.02 1.57 -2.37 -0.49 0.00 0.00 175.26 173.94 2k8h n THR 79 N -0.24 2.08 -0.03 3.63 5.66 -1.26 -4.36 114.28 119.76 2k8h n THR 79 Ca -0.02 -1.39 -0.05 0.00 -3.05 0.00 0.00 64.05 59.54 2k8h n THR 79 Cb 0.60 -0.02 -0.03 0.00 -1.55 0.00 0.00 70.33 69.33 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 0.55 0.16 0.42 1.09 4.76 -1.26 -4.23 118.16 119.65 2k8h n LYS 80 Ca 0.24 0.04 -0.17 0.00 -2.87 0.00 0.00 58.31 55.55 2k8h n LYS 80 Cb 0.92 -1.07 -0.08 0.00 -1.84 0.00 0.00 35.03 32.96 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 -0.04 0.00 0.00 -0.18 1.35 -1.97 -1.29 112.91 110.78 2k8h h THR 81 Ca -0.15 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 2k8h h THR 81 Cb 1.22 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 2k8h h THR 81 CO -0.04 0.00 0.00 1.55 -0.25 0.00 0.00 175.52 176.78 2k8h h PRO 82 N -1.19 0.00 0.07 4.72 0.13 -1.87 -0.82 132.00 133.03 2k8h h PRO 82 Ca -0.11 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.02 2k8h h PRO 82 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 2k8h h PRO 82 CO 0.18 0.00 -0.03 1.49 -0.23 0.00 0.00 178.00 179.41 2k8h h GLU 83 N 0.00 -0.08 0.00 0.86 4.81 -1.71 -0.02 114.58 118.44 2k8h h GLU 83 Ca 0.00 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 2k8h h GLU 83 Cb 0.48 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 2k8h h GLU 83 CO 0.00 0.50 -0.39 1.05 -0.73 0.00 0.00 179.01 179.45 2k8h h GLU 84 N -0.82 0.00 0.09 1.92 -0.00 -1.22 0.39 114.58 114.94 2k8h h GLU 84 Ca -0.01 0.00 -0.27 0.00 -0.00 0.00 0.00 59.36 59.08 2k8h h GLU 84 Cb 0.62 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.37 2k8h h GLU 84 CO 0.01 0.39 -1.32 1.25 -0.00 0.00 0.00 179.01 179.34 2k8h h LEU 85 N 0.00 0.31 0.00 3.06 5.85 -1.23 -3.40 115.31 119.91 2k8h h LEU 85 Ca -0.00 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.34 2k8h h LEU 85 Cb 1.12 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.05 2k8h h LEU 85 CO 0.05 1.30 -0.55 0.61 -0.34 0.00 0.00 178.44 179.51 2k8h n GLY 86 N 1.54 -0.94 2.42 3.75 0.00 -0.02 -4.97 105.19 106.98 2k8h n GLY 86 Ca -0.10 -0.17 -0.17 0.00 0.00 0.00 0.00 46.02 45.58 2k8h n GLY 86 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2k8h n MET 87 N -4.61 -1.30 -4.27 1.61 1.56 0.12 -4.98 117.12 105.26 2k8h n MET 87 Ca -0.08 0.99 -0.16 0.00 -0.27 0.00 0.00 57.70 58.17 2k8h n MET 87 Cb 0.29 -5.34 -0.10 0.00 2.15 0.00 0.00 33.22 30.22 2k8h n MET 87 CO 0.00 0.00 0.00 -2.00 -0.73 0.00 0.00 175.97 173.24 2k8h s GLU 88 N -4.14 1.11 -0.02 2.12 2.12 -1.26 -5.03 118.70 113.61 2k8h s GLU 88 Ca 0.00 -1.42 0.08 0.00 0.36 0.00 0.00 54.97 53.99 2k8h s GLU 88 Cb 0.00 -0.83 0.26 0.00 0.26 0.00 0.00 34.13 33.83 2k8h s GLU 88 CO 0.00 0.13 1.16 -0.40 -0.54 0.00 0.00 175.26 175.61 2k8h n ASP 89 N -0.01 1.80 -2.18 -1.70 5.75 -1.26 -3.94 116.55 115.01 2k8h n ASP 89 Ca -0.11 -2.08 -0.26 0.00 -0.01 0.00 0.00 54.79 52.33 2k8h n ASP 89 Cb 0.59 -0.27 0.02 0.00 -1.03 0.00 0.00 41.12 40.43 2k8h n ASP 89 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2k8h n ASP 90 N 0.31 5.07 -4.65 -1.12 8.00 -1.21 -0.97 116.55 121.99 2k8h n ASP 90 Ca 0.10 -3.75 -0.43 0.00 0.71 0.00 0.00 54.79 51.42 2k8h n ASP 90 Cb 0.32 -0.42 -0.02 0.00 -0.02 0.00 0.00 41.12 40.97 2k8h n ASP 90 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2k8h s ASP 91 N -3.43 6.77 0.02 -2.24 1.01 -0.64 -4.92 116.67 113.23 2k8h s ASP 91 Ca 0.51 1.67 0.02 0.00 0.71 0.00 0.00 52.55 55.46 2k8h s ASP 91 Cb 0.41 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.77 2k8h s ASP 91 CO -0.04 -0.92 -0.00 0.68 0.21 0.00 0.00 175.17 175.10 2k8h s VAL 92 N 3.99 4.12 -0.14 -1.27 -7.23 -1.26 -1.18 120.40 117.43 2k8h s VAL 92 Ca 0.60 -0.69 -0.03 0.00 -1.81 0.00 0.00 61.98 60.06 2k8h s VAL 92 Cb -0.23 -2.86 0.05 0.00 0.56 0.00 0.00 36.38 33.89 2k8h s VAL 92 CO 0.21 0.32 0.03 -0.63 -0.31 0.00 0.00 175.10 174.72 2k8h s ILE 93 N -1.13 0.35 -0.50 -0.62 -1.09 -0.56 -4.30 121.20 113.35 2k8h s ILE 93 Ca 0.21 -0.20 -0.19 0.00 -2.23 0.00 0.00 60.65 58.24 2k8h s ILE 93 Cb -0.12 -0.74 0.06 0.00 -1.58 0.00 0.00 42.46 40.09 2k8h s ILE 93 CO 0.12 -0.02 0.60 -0.62 -1.23 0.00 0.00 174.94 173.79 2k8h s ASP 94 N 1.95 6.22 -0.23 3.58 -1.08 -0.27 -1.22 116.67 125.62 2k8h s ASP 94 Ca 0.02 -0.95 -0.29 0.00 -0.52 0.00 0.00 52.55 50.81 2k8h s ASP 94 Cb -0.15 -2.28 -0.01 0.00 -1.46 0.00 0.00 42.92 39.02 2k8h s ASP 94 CO -0.07 -0.86 1.32 0.00 0.52 0.00 0.00 175.17 176.07 2k8h s ALA 95 N 2.52 3.50 0.19 3.66 0.00 -0.42 -3.39 121.76 127.82 2k8h s ALA 95 Ca 0.14 0.31 0.11 0.00 0.00 0.00 0.00 51.96 52.52 2k8h s ALA 95 Cb -0.20 -3.71 -0.04 0.00 0.00 0.00 0.00 23.12 19.17 2k8h s ALA 95 CO 0.11 -1.50 -0.19 -1.64 0.00 0.00 0.00 175.76 172.54 2k8h s MET 96 N 3.90 1.70 -0.16 0.00 -1.94 -0.49 -4.14 119.30 118.16 2k8h s MET 96 Ca 0.57 -1.43 -0.06 0.00 -1.71 0.00 0.00 55.69 53.07 2k8h s MET 96 Cb -0.20 -1.96 -0.04 0.00 2.01 0.00 0.00 34.83 34.65 2k8h s MET 96 CO 0.20 0.41 0.02 0.14 -0.01 0.00 0.00 175.02 175.78 2k8h s VAL 97 N -1.65 4.45 -0.03 -6.03 -7.23 -1.26 -1.38 120.40 107.27 2k8h s VAL 97 Ca 0.22 -0.16 0.17 0.00 -1.81 0.00 0.00 61.98 60.40 2k8h s VAL 97 Cb -0.08 -2.97 0.31 0.00 0.56 0.00 0.00 36.38 34.20 2k8h s VAL 97 CO 0.11 0.49 1.13 -0.62 -0.31 0.00 0.00 175.10 175.90 2k8h n GLU 98 N 3.36 0.22 -3.62 4.82 -0.58 -1.26 -5.05 120.64 118.53 2k8h n GLU 98 Ca -0.17 -1.90 -0.07 0.00 -0.42 0.00 0.00 57.16 54.60 2k8h n GLU 98 Cb 0.52 -0.36 -0.06 0.00 -0.57 0.00 0.00 31.44 30.98 2k8h n GLU 98 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 2k8h s GLN 99 N -0.46 0.34 -0.15 3.49 0.74 -1.26 -4.34 119.66 118.02 2k8h s GLN 99 Ca 0.26 0.23 -0.03 0.00 0.05 0.00 0.00 55.36 55.87 2k8h s GLN 99 Cb 0.28 0.16 -0.02 0.00 1.10 0.00 0.00 33.01 34.53 2k8h s GLN 99 CO -0.11 -0.08 -0.07 0.99 -0.55 0.00 0.00 175.29 175.48 2k8h s THR 100 N -0.45 3.56 0.00 -0.34 2.01 -1.26 -4.98 115.64 114.18 2k8h s THR 100 Ca 0.04 -0.47 0.00 0.00 0.31 0.00 0.00 61.69 61.57 2k8h s THR 100 Cb -0.03 -2.55 0.00 0.00 0.01 0.00 0.00 72.50 69.93 2k8h s THR 100 CO -0.07 0.49 0.00 0.61 -0.69 0.00 0.00 174.62 174.97 2k8h n GLY 101 N 3.67 -0.12 0.00 4.40 0.00 -1.26 -5.03 105.19 106.86 2k8h n GLY 101 Ca -0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.97 2k8h n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93