#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 0.57 -3.51 7.83 2.88 -1.26 -5.06 113.62 115.07 2k8h n SER 2 Ca 0.00 -2.12 -0.06 0.00 -1.33 0.00 0.00 58.87 55.36 2k8h n SER 2 Cb 0.00 -0.10 -0.07 0.00 -0.75 0.00 0.00 64.21 63.29 2k8h n SER 2 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2k8h s ASN 3 N -2.91 -0.39 -0.28 -3.46 2.47 -1.26 -5.15 114.94 103.96 2k8h s ASN 3 Ca 0.21 0.85 -0.16 0.00 0.42 0.00 0.00 52.86 54.18 2k8h s ASN 3 Cb 0.37 1.53 0.08 0.00 -1.45 0.00 0.00 41.25 41.78 2k8h s ASN 3 CO -0.06 -0.25 0.70 0.20 -3.72 0.00 0.00 177.10 173.96 2k8h s ASN 4 N 2.67 -0.94 0.00 -4.21 0.01 -1.26 -5.18 114.94 106.03 2k8h s ASN 4 Ca 0.05 1.51 0.00 0.00 -0.71 0.00 0.00 52.86 53.70 2k8h s ASN 4 Cb -0.13 1.39 0.00 0.00 0.41 0.00 0.00 41.25 42.91 2k8h s ASN 4 CO -0.16 -0.24 0.00 0.61 -1.51 0.00 0.00 177.10 175.81 2k8h n GLY 5 N 4.29 2.75 0.00 0.66 0.00 -1.26 -5.14 105.19 106.49 2k8h n GLY 5 Ca -0.20 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.77 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 0.20 3.95 -0.02 0.00 -1.26 -5.09 105.19 107.97 2k8h n GLY 6 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 1.51 3.34 0.14 1.61 8.01 -1.26 -5.03 118.70 127.01 2k8h s GLU 7 Ca 0.00 -0.83 -0.11 0.00 0.01 0.00 0.00 54.97 54.05 2k8h s GLU 7 Cb 0.00 -2.84 -0.04 0.00 -4.31 0.00 0.00 34.13 26.95 2k8h s GLU 7 CO 0.00 0.39 1.48 -1.00 0.01 0.00 0.00 175.26 176.14 2k8h h PRO 8 N 1.19 0.95 -1.92 0.39 0.13 -2.08 -3.45 132.00 127.21 2k8h h PRO 8 Ca -0.51 -0.50 0.04 0.00 -0.87 0.00 0.00 66.00 64.16 2k8h h PRO 8 Cb 1.23 0.02 -0.22 0.00 0.13 0.00 0.00 31.00 32.16 2k8h h PRO 8 CO 0.60 1.15 0.08 -1.54 -0.23 0.00 0.00 178.00 178.06 2k8h s SER 9 N -6.84 -0.88 -0.07 1.44 1.04 -1.26 -5.05 113.70 102.08 2k8h s SER 9 Ca -0.11 1.40 0.02 0.00 0.48 0.00 0.00 55.95 57.74 2k8h s SER 9 Cb 0.11 1.39 -0.25 0.00 0.10 0.00 0.00 66.02 67.37 2k8h s SER 9 CO 0.88 -0.22 0.57 -1.13 0.98 0.00 0.00 173.24 174.32 2k8h h ASN 10 N 6.88 0.23 -3.47 7.02 -0.73 -2.04 -3.51 115.58 119.97 2k8h h ASN 10 Ca -0.29 -0.49 0.33 0.00 1.87 0.00 0.00 56.30 57.72 2k8h h ASN 10 Cb 1.22 -0.08 -0.11 0.00 0.27 0.00 0.00 38.32 39.63 2k8h h ASN 10 CO 0.16 1.43 -0.63 -3.20 -0.37 0.00 0.00 177.43 174.82 2k8h n ASN 11 N -3.29 -7.41 0.00 1.15 5.15 -1.26 -5.04 115.26 104.56 2k8h n ASN 11 Ca -0.23 0.71 0.00 0.00 -0.60 0.00 0.00 54.58 54.46 2k8h n ASN 11 Cb 1.05 -3.89 0.00 0.00 -0.53 0.00 0.00 39.78 36.41 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 -3.93 1.34 0.54 8.20 0.00 -1.26 -5.04 105.19 105.04 2k8h n GLY 12 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 0.50 0.53 5.00 -0.02 0.00 -1.26 -5.04 105.19 104.89 2k8h n GLY 13 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.02 0.00 0.00 1.61 1.02 -1.26 -4.82 120.64 117.21 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 0.72 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.14 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 0.00 0.32 0.00 0.62 0.00 -1.26 -5.13 105.19 99.73 2k8h n GLY 15 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.81 0.00 -3.75 4.61 0.00 -1.26 -5.19 120.51 114.12 2k8h n ALA 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k8h n ALA 16 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 2k8h n ALA 16 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2k8h n GLU 17 N 0.00 1.01 -4.32 0.00 0.28 -1.26 -5.19 120.64 111.16 2k8h n GLU 17 Ca 0.00 -2.00 -0.21 0.00 -0.16 0.00 0.00 57.16 54.80 2k8h n GLU 17 Cb 0.00 2.51 -0.08 0.00 1.43 0.00 0.00 31.44 35.30 2k8h n GLU 17 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2k8h s GLY 18 N -2.97 2.45 -0.27 -1.84 0.00 -1.26 -5.17 107.32 98.26 2k8h s GLY 18 Ca 0.15 -2.00 -0.11 0.00 0.00 0.00 0.00 44.72 42.76 2k8h s GLY 18 CO 0.10 -1.52 0.61 -1.59 0.00 0.00 0.00 173.10 170.70 2k8h s THR 19 N -3.37 -0.67 0.00 0.90 2.01 -1.26 -5.04 115.64 108.22 2k8h s THR 19 Ca 0.39 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.42 2k8h s THR 19 Cb 0.02 -0.92 0.00 0.00 0.01 0.00 0.00 72.50 71.61 2k8h s THR 19 CO 0.28 0.01 0.00 0.00 -0.69 0.00 0.00 174.62 174.22 2k8h n LYS 21 N -1.82 -1.43 -2.68 0.00 5.02 -1.26 -5.00 118.16 111.00 2k8h n LYS 21 Ca 0.00 1.22 -0.04 0.00 -2.02 0.00 0.00 58.31 57.47 2k8h n LYS 21 Cb 0.07 -4.92 0.04 0.00 -0.02 0.00 0.00 35.03 30.20 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 -2.23 0.17 -1.81 1.97 2.13 -1.26 -5.17 120.64 114.44 2k8h n GLU 22 Ca -0.08 -0.90 0.00 0.00 0.66 0.00 0.00 57.16 56.84 2k8h n GLU 22 Cb 0.56 -0.14 0.00 0.00 0.27 0.00 0.00 31.44 32.12 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 2.31 0.00 -4.42 5.31 0.00 -1.26 -5.15 120.64 117.43 2k8h n GLU 23 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 57.16 56.92 2k8h n GLU 23 Cb 0.66 0.00 -0.12 0.00 0.00 0.00 0.00 31.44 31.98 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 -2.18 3.89 -0.24 6.31 -4.23 -1.26 -5.08 115.64 112.84 2k8h s THR 24 Ca 0.00 -0.36 -0.03 0.00 -1.18 0.00 0.00 61.69 60.12 2k8h s THR 24 Cb 0.00 -2.70 0.13 0.00 1.34 0.00 0.00 72.50 71.28 2k8h s THR 24 CO 0.00 0.50 0.38 0.00 -0.54 0.00 0.00 174.62 174.96 2k8h s ALA 25 N 0.29 -1.10 -0.13 3.99 0.00 -1.26 -5.00 121.76 118.55 2k8h s ALA 25 Ca -0.03 0.94 -0.04 0.00 0.00 0.00 0.00 51.96 52.83 2k8h s ALA 25 Cb -0.14 -1.66 0.05 0.00 0.00 0.00 0.00 23.12 21.36 2k8h s ALA 25 CO 0.03 -1.24 0.07 -0.51 0.00 0.00 0.00 175.76 174.11 2k8h s LEU 26 N 2.55 0.40 -0.03 0.00 1.02 -1.26 -2.13 118.68 119.23 2k8h s LEU 26 Ca 0.12 -0.38 -0.09 0.00 0.02 0.00 0.00 54.13 53.80 2k8h s LEU 26 Cb -0.15 -0.27 0.01 0.00 0.02 0.00 0.00 46.19 45.80 2k8h s LEU 26 CO -0.16 -0.30 0.21 0.68 0.02 0.00 0.00 176.35 176.80 2k8h s VAL 27 N 2.10 0.05 -0.10 -1.59 -7.23 -0.64 -4.73 120.40 108.26 2k8h s VAL 27 Ca 0.03 -0.40 -0.03 0.00 -1.81 0.00 0.00 61.98 59.77 2k8h s VAL 27 Cb -0.15 -0.44 -0.04 0.00 0.56 0.00 0.00 36.38 36.32 2k8h s VAL 27 CO -0.07 -0.22 0.05 0.00 -0.31 0.00 0.00 175.10 174.55 2k8h s ALA 28 N -0.84 3.49 0.07 1.32 0.00 -0.21 -1.39 121.76 124.19 2k8h s ALA 28 Ca -0.09 -0.75 0.09 0.00 0.00 0.00 0.00 51.96 51.20 2k8h s ALA 28 Cb -0.05 -1.64 -0.03 0.00 0.00 0.00 0.00 23.12 21.40 2k8h s ALA 28 CO 0.02 0.60 -0.23 0.08 0.00 0.00 0.00 175.76 176.22 2k8h s VAL 29 N -0.94 1.91 -0.13 0.00 1.01 -0.43 -1.62 120.40 120.21 2k8h s VAL 29 Ca 0.14 -1.41 -0.02 0.00 0.00 0.00 0.00 61.98 60.69 2k8h s VAL 29 Cb -0.12 -1.67 0.04 0.00 0.00 0.00 0.00 36.38 34.64 2k8h s VAL 29 CO 0.03 0.19 0.02 -1.59 0.00 0.00 0.00 175.10 173.75 2k8h s LYS 30 N -1.47 0.62 -0.22 2.72 -2.85 -0.22 -1.38 119.74 116.94 2k8h s LYS 30 Ca 0.10 -0.12 -0.14 0.00 -1.00 0.00 0.00 55.97 54.80 2k8h s LYS 30 Cb -0.10 -1.48 -0.04 0.00 -2.06 0.00 0.00 37.83 34.15 2k8h s LYS 30 CO 0.03 -0.45 0.33 0.08 0.10 0.00 0.00 175.35 175.44 2k8h s VAL 31 N 1.93 5.24 0.19 1.79 1.01 -0.41 -1.39 120.40 128.76 2k8h s VAL 31 Ca 0.03 0.55 0.10 0.00 0.00 0.00 0.00 61.98 62.66 2k8h s VAL 31 Cb -0.14 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 2k8h s VAL 31 CO -0.07 0.27 -0.17 0.68 0.00 0.00 0.00 175.10 175.81 2k8h s VAL 32 N 1.32 2.74 0.12 2.92 -7.23 -0.45 -1.35 120.40 118.48 2k8h s VAL 32 Ca 0.16 -1.85 0.07 0.00 -1.81 0.00 0.00 61.98 58.54 2k8h s VAL 32 Cb -0.15 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 2k8h s VAL 32 CO 0.07 -0.11 -0.16 0.20 -0.31 0.00 0.00 175.10 174.79 2k8h s ASN 33 N -2.73 2.18 0.60 4.85 0.01 -1.06 -1.32 114.94 117.48 2k8h s ASN 33 Ca 0.22 -0.77 0.30 0.00 -0.71 0.00 0.00 52.86 51.91 2k8h s ASN 33 Cb -0.08 -0.10 1.70 0.00 0.41 0.00 0.00 41.25 43.18 2k8h s ASN 33 CO 0.12 -0.07 2.08 0.00 -1.51 0.00 0.00 177.10 177.72 2k8h h ALA 34 N 3.70 1.73 0.00 0.60 0.00 -1.90 0.24 119.26 123.63 2k8h h ALA 34 Ca -0.42 -0.01 -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 18.98 2k8h h ALA 34 CO 0.47 -0.32 -0.42 0.22 0.00 0.00 0.00 179.25 179.19 2k8h h ASP 35 N 0.00 0.00 0.00 0.00 3.58 -1.95 -3.47 116.42 114.58 2k8h h ASP 35 Ca 0.08 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.53 2k8h h ASP 35 Cb 0.54 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.59 2k8h h ASP 35 CO -0.00 0.42 0.00 0.61 -2.88 0.00 0.00 179.24 177.39 2k8h n GLY 36 N 0.81 2.72 3.68 -0.78 0.00 0.86 -5.07 105.19 107.40 2k8h n GLY 36 Ca 0.01 -0.98 -0.50 0.00 0.00 0.00 0.00 46.02 44.54 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 0.61 -2.37 4.61 0.00 -1.26 -4.53 120.51 117.56 2k8h n ALA 37 Ca 0.00 0.33 -0.09 0.00 0.00 0.00 0.00 53.44 53.68 2k8h n ALA 37 Cb 0.00 -2.41 -0.09 0.00 0.00 0.00 0.00 19.45 16.96 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 3.51 0.93 -0.16 0.00 -1.05 -1.26 -2.56 118.70 118.10 2k8h s GLU 38 Ca 0.92 -1.24 -0.08 0.00 -0.15 0.00 0.00 54.97 54.42 2k8h s GLU 38 Cb -0.79 0.29 0.06 0.00 -0.44 0.00 0.00 34.13 33.26 2k8h s GLU 38 CO 0.53 -0.28 0.39 0.00 0.95 0.00 0.00 175.26 176.85 2k8h s MET 39 N -3.97 0.36 -0.00 -4.83 0.23 -0.45 -4.99 119.30 105.65 2k8h s MET 39 Ca 0.16 0.78 0.07 0.00 -1.03 0.00 0.00 55.69 55.66 2k8h s MET 39 Cb 0.06 -0.01 -0.02 0.00 -1.53 0.00 0.00 34.83 33.33 2k8h s MET 39 CO -0.03 -0.17 -0.21 -0.59 -2.03 0.00 0.00 175.02 171.99 2k8h s PHE 40 N 1.50 1.90 0.16 3.16 -0.71 -1.26 -1.28 117.98 121.45 2k8h s PHE 40 Ca -0.09 -0.36 -0.22 0.00 -1.04 0.00 0.00 56.93 55.22 2k8h s PHE 40 Cb -0.09 -1.20 0.06 0.00 -1.21 0.00 0.00 43.02 40.58 2k8h s PHE 40 CO -0.12 0.00 0.59 0.12 -1.34 0.00 0.00 175.22 174.47 2k8h s PHE 41 N -0.58 -0.48 0.03 3.49 5.36 -0.48 -4.99 117.98 120.33 2k8h s PHE 41 Ca 0.08 0.24 -0.11 0.00 -0.96 0.00 0.00 56.93 56.18 2k8h s PHE 41 Cb -0.08 0.54 -0.06 0.00 -0.34 0.00 0.00 43.02 43.08 2k8h s PHE 41 CO -0.00 -0.86 0.37 0.50 -1.46 0.00 0.00 175.22 173.77 2k8h s ARG 42 N -3.77 3.79 0.16 10.12 3.52 -1.26 -1.31 118.95 130.19 2k8h s ARG 42 Ca 0.02 0.23 -0.23 0.00 -0.13 0.00 0.00 55.73 55.62 2k8h s ARG 42 Cb -0.01 -3.11 0.07 0.00 -1.56 0.00 0.00 34.95 30.34 2k8h s ARG 42 CO -0.11 0.64 0.61 -1.50 -0.81 0.00 0.00 175.30 174.13 2k8h s ILE 43 N -1.23 0.00 0.23 4.11 2.07 -0.49 -4.98 121.20 120.91 2k8h s ILE 43 Ca 0.27 -0.02 -0.32 0.00 -1.41 0.00 0.00 60.65 59.18 2k8h s ILE 43 Cb -0.15 -1.02 -0.14 0.00 0.13 0.00 0.00 42.46 41.29 2k8h s ILE 43 CO 0.15 0.00 1.42 0.29 -1.91 0.00 0.00 174.94 174.88 2k8h n LYS 44 N -0.38 2.00 -0.20 3.50 4.76 -1.26 -1.62 118.16 124.97 2k8h n LYS 44 Ca -0.17 0.71 0.06 0.00 -2.87 0.00 0.00 58.31 56.05 2k8h n LYS 44 Cb 0.65 -2.38 0.34 0.00 -1.84 0.00 0.00 35.03 31.80 2k8h n LYS 44 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2k8h h SER 45 N 4.36 0.69 -0.25 4.39 0.87 -1.70 -0.14 113.55 121.77 2k8h h SER 45 Ca -0.45 0.01 0.07 0.00 -1.23 0.00 0.00 61.79 60.19 2k8h h SER 45 Cb 1.28 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.08 2k8h h SER 45 CO 0.77 0.44 0.30 -0.09 -0.53 0.00 0.00 176.83 177.72 2k8h h ARG 46 N 0.78 0.00 -1.75 2.24 9.65 -1.87 -3.37 114.38 120.05 2k8h h ARG 46 Ca 0.33 0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 59.08 2k8h h ARG 46 Cb 0.28 0.00 -0.28 0.00 -1.39 0.00 0.00 29.97 28.57 2k8h h ARG 46 CO -0.11 0.00 -0.46 -0.08 2.80 0.00 0.00 179.97 182.12 2k8h s THR 47 N -4.56 -0.66 0.17 0.20 -1.32 -0.07 -4.92 115.64 104.49 2k8h s THR 47 Ca -0.04 -0.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.35 2k8h s THR 47 Cb 0.15 -0.86 0.00 0.00 -1.51 0.00 0.00 72.50 70.28 2k8h s THR 47 CO 0.52 -0.13 0.00 0.00 -2.21 0.00 0.00 174.62 172.80 2k8h n ALA 48 N 5.37 3.00 0.21 11.08 0.00 -1.24 -3.99 120.51 134.94 2k8h n ALA 48 Ca -0.03 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.47 2k8h n ALA 48 Cb 0.50 0.01 0.47 0.00 0.00 0.00 0.00 19.45 20.43 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 -0.01 0.00 7.12 -1.89 -0.24 115.31 120.29 2k8h h LEU 49 Ca 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.01 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 0.27 -0.00 0.11 -0.13 0.00 0.00 178.44 178.69 2k8h h LYS 50 N 0.00 0.02 0.00 1.25 1.79 -1.90 -0.98 116.57 116.75 2k8h h LYS 50 Ca -0.00 -0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 58.35 2k8h h LYS 50 Cb 0.54 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.18 2k8h h LYS 50 CO 0.04 0.44 -0.52 -0.22 -1.08 0.00 0.00 179.45 178.10 2k8h h LYS 51 N -0.40 0.00 0.10 3.15 1.63 -1.83 -0.91 116.57 118.31 2k8h h LYS 51 Ca 0.00 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2k8h h LYS 51 Cb 0.43 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 2k8h h LYS 51 CO 0.00 0.52 -0.05 -0.07 -3.45 0.00 0.00 179.45 176.41 2k8h h LEU 52 N 0.00 -0.11 -0.88 5.20 -0.00 -1.00 0.88 115.31 119.40 2k8h h LEU 52 Ca -0.01 -0.40 -0.12 0.00 -0.00 0.00 0.00 57.88 57.35 2k8h h LEU 52 Cb 1.02 0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.69 2k8h h LEU 52 CO 0.07 0.38 -0.49 0.16 -0.00 0.00 0.00 178.44 178.55 2k8h h ILE 53 N -0.64 1.35 -0.04 1.22 -0.00 -1.21 -0.38 117.51 117.81 2k8h h ILE 53 Ca -0.01 -1.72 -0.04 0.00 -0.00 0.00 0.00 64.86 63.08 2k8h h ILE 53 Cb 0.51 1.85 0.00 0.00 -0.00 0.00 0.00 36.82 39.18 2k8h h ILE 53 CO 0.02 0.50 -0.15 0.44 -0.00 0.00 0.00 178.15 178.97 2k8h h ASP 54 N 0.13 0.20 -0.40 2.16 3.32 -1.19 -1.16 116.42 119.48 2k8h h ASP 54 Ca 0.00 -0.64 -0.12 0.00 0.02 0.00 0.00 57.03 56.29 2k8h h ASP 54 Cb 0.92 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 2k8h h ASP 54 CO 0.07 0.80 -0.22 0.74 -1.72 0.00 0.00 179.24 178.92 2k8h h THR 55 N -0.39 1.27 0.25 0.35 2.02 -0.82 -0.76 112.91 114.83 2k8h h THR 55 Ca -0.01 -1.36 -0.01 0.00 0.77 0.00 0.00 66.41 65.80 2k8h h THR 55 Cb 0.79 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 2k8h h THR 55 CO 0.03 0.46 -0.12 0.22 0.37 0.00 0.00 175.52 176.48 2k8h h TYR 56 N 0.78 -0.32 -0.94 3.16 5.03 -1.13 0.17 116.97 123.73 2k8h h TYR 56 Ca 0.10 -0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.43 2k8h h TYR 56 Cb 0.77 0.10 -0.05 0.00 1.55 0.00 0.00 36.73 39.10 2k8h h TYR 56 CO 0.05 0.04 0.61 0.00 -1.32 0.00 0.00 178.16 177.54 2k8h h LYS 58 N 1.22 0.00 -0.13 0.00 1.79 -1.14 -0.81 116.57 117.49 2k8h h LYS 58 Ca 0.36 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.78 2k8h h LYS 58 Cb -0.06 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.59 2k8h h LYS 58 CO -0.10 0.63 -0.10 0.87 -1.08 0.00 0.00 179.45 179.66 2k8h h LYS 59 N 0.00 0.30 0.00 3.15 1.57 0.25 -2.95 116.57 118.89 2k8h h LYS 59 Ca -0.01 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2k8h h LYS 59 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 2k8h h LYS 59 CO 0.08 0.68 0.00 0.37 -0.57 0.00 0.00 179.45 180.01 2k8h h GLN 60 N -0.07 0.00 0.00 3.15 4.15 -1.20 -3.46 115.11 117.68 2k8h h GLN 60 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.44 2k8h h GLN 60 Cb 0.61 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.30 2k8h h GLN 60 CO 0.03 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.34 2k8h n GLY 61 N -0.10 0.87 2.93 2.39 0.00 -1.00 -5.08 105.19 105.21 2k8h n GLY 61 Ca 0.00 -0.61 -0.16 0.00 0.00 0.00 0.00 46.02 45.26 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 0.36 1.26 -0.61 -4.36 -0.34 -4.98 121.20 110.52 2k8h s ILE 62 Ca 0.00 -0.16 -0.17 0.00 -0.26 0.00 0.00 60.65 60.07 2k8h s ILE 62 Cb 0.00 -0.33 0.29 0.00 1.25 0.00 0.00 42.46 43.68 2k8h s ILE 62 CO 0.00 0.12 0.80 -1.20 0.24 0.00 0.00 174.94 174.90 2k8h n SER 63 N 3.19 -2.61 -2.43 4.36 7.64 -1.26 -4.11 113.62 118.39 2k8h n SER 63 Ca -0.15 -0.38 -0.22 0.00 1.01 0.00 0.00 58.87 59.12 2k8h n SER 63 Cb 0.57 -1.12 -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 -4.68 2.55 -1.69 1.43 0.00 -1.26 -4.12 116.66 108.88 2k8h n ARG 64 Ca 0.05 -1.77 0.01 0.00 -0.00 0.00 0.00 57.85 56.13 2k8h n ARG 64 Cb 0.56 -2.19 0.06 0.00 -0.00 0.00 0.00 32.46 30.89 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 2.04 1.63 -0.99 2.89 0.23 -1.26 -4.78 115.26 115.02 2k8h n ASN 65 Ca 0.51 -2.53 -0.04 0.00 -0.53 0.00 0.00 54.58 51.99 2k8h n ASN 65 Cb 0.67 -0.39 -0.04 0.00 -2.08 0.00 0.00 39.78 37.94 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 -0.18 -0.44 -3.66 0.53 2.88 -1.26 -4.66 113.62 106.84 2k8h n SER 66 Ca 0.12 -1.85 -0.06 0.00 -1.33 0.00 0.00 58.87 55.75 2k8h n SER 66 Cb 0.96 0.12 -0.08 0.00 -0.75 0.00 0.00 64.21 64.47 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 -0.74 -0.41 2.46 -7.23 -1.26 -4.84 120.40 108.39 2k8h s VAL 67 Ca 0.06 0.11 -0.17 0.00 -1.81 0.00 0.00 61.98 60.17 2k8h s VAL 67 Cb 0.07 -0.77 0.01 0.00 0.56 0.00 0.00 36.38 36.26 2k8h s VAL 67 CO -0.03 0.05 0.46 -0.13 -0.31 0.00 0.00 175.10 175.13 2k8h s ARG 68 N 2.67 3.23 -0.36 4.82 0.52 -0.49 -4.92 118.95 124.41 2k8h s ARG 68 Ca -0.03 -0.61 -0.20 0.00 -0.52 0.00 0.00 55.73 54.36 2k8h s ARG 68 Cb -0.12 -3.93 0.00 0.00 0.52 0.00 0.00 34.95 31.43 2k8h s ARG 68 CO -0.15 -0.81 0.61 -0.06 0.02 0.00 0.00 175.30 174.92 2k8h s PHE 69 N 2.22 3.15 -0.06 -0.53 0.08 -1.26 -1.37 117.98 120.21 2k8h s PHE 69 Ca 0.14 0.28 0.04 0.00 0.12 0.00 0.00 56.93 57.51 2k8h s PHE 69 Cb -0.16 -3.11 -0.00 0.00 -0.57 0.00 0.00 43.02 39.17 2k8h s PHE 69 CO 0.14 -0.63 -0.18 -0.48 -0.10 0.00 0.00 175.22 173.97 2k8h s LEU 70 N 2.66 1.91 0.01 -0.37 2.34 -1.21 -1.15 118.68 122.87 2k8h s LEU 70 Ca 0.23 -0.39 0.05 0.00 0.06 0.00 0.00 54.13 54.08 2k8h s LEU 70 Cb -0.15 -1.05 -0.02 0.00 -0.56 0.00 0.00 46.19 44.42 2k8h s LEU 70 CO 0.15 0.14 -0.16 0.12 -1.06 0.00 0.00 176.35 175.54 2k8h s PHE 71 N 0.17 1.40 -0.63 3.48 5.36 0.29 -1.37 117.98 126.69 2k8h s PHE 71 Ca -0.08 -0.30 0.00 0.00 -0.96 0.00 0.00 56.93 55.59 2k8h s PHE 71 Cb -0.13 -0.87 0.00 0.00 -0.34 0.00 0.00 43.02 41.68 2k8h s PHE 71 CO 0.04 0.01 0.00 -3.47 -1.46 0.00 0.00 175.22 170.34 2k8h n ASP 72 N 2.35 -5.00 0.00 6.13 2.03 -1.26 -1.40 116.55 119.41 2k8h n ASP 72 Ca -0.16 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.30 2k8h n ASP 72 Cb 0.54 -3.02 0.00 0.00 -0.72 0.00 0.00 41.12 37.92 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 -0.55 0.84 3.50 0.27 0.00 -1.26 -5.05 105.19 102.94 2k8h n GLY 73 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 2k8h n GLY 73 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2k8h s THR 74 N -2.51 3.18 -0.28 2.61 -1.32 -0.49 -5.08 115.64 111.75 2k8h s THR 74 Ca 0.00 -0.74 -0.29 0.00 -1.21 0.00 0.00 61.69 59.45 2k8h s THR 74 Cb 0.00 -2.28 -0.02 0.00 -1.51 0.00 0.00 72.50 68.69 2k8h s THR 74 CO 0.00 0.55 1.65 -2.16 -2.21 0.00 0.00 174.62 172.45 2k8h s PRO 75 N -0.89 3.62 -0.15 7.08 0.04 -1.26 -0.55 135.00 142.89 2k8h s PRO 75 Ca 0.13 1.49 -0.08 0.00 0.04 0.00 0.00 61.00 62.58 2k8h s PRO 75 Cb -0.11 -4.09 0.06 0.00 0.04 0.00 0.00 34.50 30.40 2k8h s PRO 75 CO 0.02 -1.51 0.37 0.42 0.04 0.00 0.00 177.00 176.33 2k8h s ILE 76 N 5.78 -0.04 -0.52 0.56 1.01 -0.30 -4.94 121.20 122.75 2k8h s ILE 76 Ca 0.73 0.11 0.04 0.00 0.00 0.00 0.00 60.65 61.53 2k8h s ILE 76 Cb -0.23 -0.55 0.14 0.00 0.01 0.00 0.00 42.46 41.83 2k8h s ILE 76 CO 0.31 0.04 0.28 1.51 0.00 0.00 0.00 174.94 177.09 2k8h s ASP 77 N 1.39 4.20 -0.10 3.58 -4.77 -1.25 -4.18 116.67 115.54 2k8h s ASP 77 Ca -0.09 -3.04 -0.33 0.00 -3.30 0.00 0.00 52.55 45.79 2k8h s ASP 77 Cb -0.09 -1.50 0.15 0.00 -1.09 0.00 0.00 42.92 40.38 2k8h s ASP 77 CO -0.12 -0.22 1.45 -1.61 0.70 0.00 0.00 175.17 175.37 2k8h s GLU 78 N -0.30 0.00 -0.10 2.11 2.02 -1.26 -5.03 118.70 116.15 2k8h s GLU 78 Ca 0.18 -0.00 0.13 0.00 0.02 0.00 0.00 54.97 55.30 2k8h s GLU 78 Cb -0.23 0.00 0.37 0.00 0.10 0.00 0.00 34.13 34.37 2k8h s GLU 78 CO -0.02 -0.00 1.28 -2.37 0.02 0.00 0.00 175.26 174.17 2k8h n THR 79 N -0.53 1.69 -0.03 3.63 5.66 -1.26 -4.50 114.28 118.95 2k8h n THR 79 Ca -0.09 -1.57 -0.05 0.00 -3.05 0.00 0.00 64.05 59.29 2k8h n THR 79 Cb 0.64 0.06 -0.02 0.00 -1.55 0.00 0.00 70.33 69.46 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 -0.33 0.12 0.50 1.09 4.76 -1.26 -4.26 118.16 118.77 2k8h n LYS 80 Ca 0.15 0.04 -0.19 0.00 -2.87 0.00 0.00 58.31 55.44 2k8h n LYS 80 Cb 0.64 -0.83 -0.09 0.00 -1.84 0.00 0.00 35.03 32.91 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 -0.13 0.00 0.00 -0.18 1.35 -1.98 -1.28 112.91 110.69 2k8h h THR 81 Ca -0.13 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 2k8h h THR 81 Cb 1.14 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.56 2k8h h THR 81 CO -0.06 0.00 0.00 1.55 -0.25 0.00 0.00 175.52 176.76 2k8h h PRO 82 N -1.32 0.00 0.07 4.72 0.13 -1.88 -0.83 132.00 132.89 2k8h h PRO 82 Ca -0.13 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.00 2k8h h PRO 82 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2k8h h PRO 82 CO 0.21 0.00 -0.03 1.49 -0.23 0.00 0.00 178.00 179.44 2k8h h GLU 83 N 0.00 -0.09 0.00 0.86 4.81 -1.70 -0.09 114.58 118.36 2k8h h GLU 83 Ca 0.00 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 2k8h h GLU 83 Cb 0.47 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 2k8h h GLU 83 CO 0.00 0.47 -0.34 1.05 -0.73 0.00 0.00 179.01 179.47 2k8h h GLU 84 N -0.81 0.00 0.09 1.92 -0.00 -1.22 -0.85 114.58 113.71 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 0.61 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.35 2k8h h GLU 84 CO 0.02 0.34 -1.31 1.25 -0.00 0.00 0.00 179.01 179.30 2k8h h LEU 85 N 0.00 0.29 0.00 3.06 6.46 -1.23 -3.37 115.31 120.52 2k8h h LEU 85 Ca -0.00 -0.35 -0.12 0.00 -0.12 0.00 0.00 57.88 57.29 2k8h h LEU 85 Cb 1.12 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.93 2k8h h LEU 85 CO 0.04 1.28 -0.65 1.23 -0.62 0.00 0.00 178.44 179.73 2k8h h GLY 86 N 2.05 0.00 -1.70 3.75 0.00 -1.01 -3.48 103.07 102.68 2k8h h GLY 86 Ca -0.15 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.79 2k8h h GLY 86 CO 0.17 0.00 -0.41 1.03 0.00 0.00 0.00 176.54 177.32 2k8h n MET 87 N -4.52 -1.41 -4.32 4.80 2.81 -0.33 -4.97 117.12 109.18 2k8h n MET 87 Ca -0.21 1.06 -0.17 0.00 -1.81 0.00 0.00 57.70 56.57 2k8h n MET 87 Cb 0.57 -5.48 -0.10 0.00 -0.71 0.00 0.00 33.22 27.49 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 -4.20 1.31 -0.05 0.03 2.12 -1.26 -5.04 118.70 111.61 2k8h s GLU 88 Ca 0.00 -1.64 0.19 0.00 0.36 0.00 0.00 54.97 53.87 2k8h s GLU 88 Cb 0.00 -0.66 0.62 0.00 0.26 0.00 0.00 34.13 34.34 2k8h s GLU 88 CO 0.00 -0.05 1.51 -0.40 -0.54 0.00 0.00 175.26 175.78 2k8h n ASP 89 N -0.39 3.91 -2.20 -1.70 5.75 -1.26 -4.29 116.55 116.37 2k8h n ASP 89 Ca -0.06 -2.18 -0.28 0.00 -0.01 0.00 0.00 54.79 52.26 2k8h n ASP 89 Cb 0.63 -0.49 0.03 0.00 -1.03 0.00 0.00 41.12 40.26 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 1.24 5.60 -4.67 -1.12 8.00 -1.22 -1.05 116.55 123.34 2k8h n ASP 90 Ca 0.23 -3.76 -0.42 0.00 0.71 0.00 0.00 54.79 51.54 2k8h n ASP 90 Cb 0.68 -0.53 -0.03 0.00 -0.02 0.00 0.00 41.12 41.22 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 -3.10 6.78 0.20 -2.24 2.15 -0.64 -4.91 116.67 114.91 2k8h s ASP 91 Ca 0.53 2.06 0.06 0.00 0.43 0.00 0.00 52.55 55.64 2k8h s ASP 91 Cb 0.43 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 40.47 2k8h s ASP 91 CO -0.03 -0.84 0.12 0.68 -0.17 0.00 0.00 175.17 174.93 2k8h s VAL 92 N 3.54 4.25 -0.18 1.11 -7.23 -1.26 -1.06 120.40 119.57 2k8h s VAL 92 Ca 0.66 -1.30 -0.05 0.00 -1.81 0.00 0.00 61.98 59.49 2k8h s VAL 92 Cb -0.30 -3.21 0.07 0.00 0.56 0.00 0.00 36.38 33.51 2k8h s VAL 92 CO 0.25 -0.20 0.13 -0.63 -0.31 0.00 0.00 175.10 174.34 2k8h s ILE 93 N -1.90 -0.16 -0.67 -0.62 -1.09 -0.48 -4.39 121.20 111.89 2k8h s ILE 93 Ca 0.31 -0.16 -0.22 0.00 -2.23 0.00 0.00 60.65 58.34 2k8h s ILE 93 Cb -0.09 -0.61 0.07 0.00 -1.58 0.00 0.00 42.46 40.25 2k8h s ILE 93 CO 0.23 -0.27 0.97 -0.62 -1.23 0.00 0.00 174.94 174.02 2k8h s ASP 94 N 2.19 6.20 -0.52 3.58 -1.08 -0.47 -1.34 116.67 125.24 2k8h s ASP 94 Ca 0.04 -1.05 -0.28 0.00 -0.52 0.00 0.00 52.55 50.73 2k8h s ASP 94 Cb -0.16 -2.42 0.01 0.00 -1.46 0.00 0.00 42.92 38.89 2k8h s ASP 94 CO -0.11 -1.42 1.49 0.00 0.52 0.00 0.00 175.17 175.65 2k8h s ALA 95 N 3.98 2.80 0.11 3.66 0.00 -0.43 -3.29 121.76 128.59 2k8h s ALA 95 Ca 0.23 -0.50 0.02 0.00 0.00 0.00 0.00 51.96 51.71 2k8h s ALA 95 Cb -0.16 -4.08 -0.04 0.00 0.00 0.00 0.00 23.12 18.84 2k8h s ALA 95 CO 0.09 -2.90 0.21 1.41 0.00 0.00 0.00 175.76 174.58 2k8h s MET 96 N 5.55 3.32 -0.10 0.00 1.75 -0.47 -4.20 119.30 125.15 2k8h s MET 96 Ca 0.58 -0.57 -0.03 0.00 -1.25 0.00 0.00 55.69 54.41 2k8h s MET 96 Cb -0.12 -2.93 -0.04 0.00 2.84 0.00 0.00 34.83 34.58 2k8h s MET 96 CO 0.27 0.56 0.04 0.14 -0.65 0.00 0.00 175.02 175.38 2k8h s VAL 97 N -1.61 4.64 -0.08 10.11 -7.23 -1.26 -1.40 120.40 123.57 2k8h s VAL 97 Ca 0.34 -0.12 0.03 0.00 -1.81 0.00 0.00 61.98 60.42 2k8h s VAL 97 Cb -0.12 -2.98 0.10 0.00 0.56 0.00 0.00 36.38 33.94 2k8h s VAL 97 CO 0.27 0.60 0.71 1.21 -0.31 0.00 0.00 175.10 177.58 2k8h n GLU 98 N 2.16 0.33 -3.84 4.82 4.07 -1.26 -5.04 120.64 121.88 2k8h n GLU 98 Ca -0.19 -0.39 -0.04 0.00 -0.06 0.00 0.00 57.16 56.48 2k8h n GLU 98 Cb 0.54 0.25 0.01 0.00 -0.06 0.00 0.00 31.44 32.18 2k8h n GLU 98 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 2k8h s GLN 99 N 0.03 1.39 0.15 5.31 1.11 -1.26 -5.11 119.66 121.28 2k8h s GLN 99 Ca 0.02 -0.87 0.04 0.00 0.01 0.00 0.00 55.36 54.56 2k8h s GLN 99 Cb 0.11 0.41 -0.04 0.00 -1.01 0.00 0.00 33.01 32.47 2k8h s GLN 99 CO -0.03 -0.65 -0.08 -0.08 0.01 0.00 0.00 175.29 174.46 2k8h s THR 100 N -2.46 1.04 0.00 -0.19 -1.32 -1.26 -4.98 115.64 106.47 2k8h s THR 100 Ca 0.19 -2.03 0.00 0.00 -1.21 0.00 0.00 61.69 58.63 2k8h s THR 100 Cb -0.03 -1.90 0.00 0.00 -1.51 0.00 0.00 72.50 69.07 2k8h s THR 100 CO 0.05 -0.70 0.00 0.61 -2.21 0.00 0.00 174.62 172.37 2k8h n GLY 101 N -0.20 -0.30 0.00 6.08 0.00 -1.26 -4.88 105.19 104.63 2k8h n GLY 101 Ca -0.10 0.56 0.02 0.00 0.00 0.00 0.00 46.02 46.50 2k8h n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93