#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 -0.11 -0.30 6.12 0.01 -1.26 -5.16 113.70 113.00 2k8h s SER 2 Ca 0.00 -0.62 -0.13 0.00 1.31 0.00 0.00 55.95 56.51 2k8h s SER 2 Cb 0.00 0.58 0.18 0.00 0.21 0.00 0.00 66.02 66.99 2k8h s SER 2 CO 0.00 -1.10 1.06 0.20 0.41 0.00 0.00 173.24 173.81 2k8h s ASN 3 N -3.09 -0.42 0.10 2.44 -0.87 -1.26 -5.18 114.94 106.66 2k8h s ASN 3 Ca 0.15 0.21 -0.22 0.00 -1.57 0.00 0.00 52.86 51.42 2k8h s ASN 3 Cb -0.03 1.33 0.06 0.00 -0.02 0.00 0.00 41.25 42.59 2k8h s ASN 3 CO 0.05 -0.08 0.55 0.54 -2.57 0.00 0.00 177.10 175.59 2k8h s ASN 4 N 2.96 -0.48 0.00 -1.22 4.22 -1.26 -5.18 114.94 113.98 2k8h s ASN 4 Ca 0.05 0.08 0.00 0.00 -2.14 0.00 0.00 52.86 50.85 2k8h s ASN 4 Cb -0.08 0.54 0.00 0.00 1.28 0.00 0.00 41.25 42.99 2k8h s ASN 4 CO -0.14 -0.84 0.00 0.61 -2.04 0.00 0.00 177.10 174.70 2k8h n GLY 5 N 0.02 2.41 3.47 0.45 0.00 -1.26 -5.17 105.19 105.11 2k8h n GLY 5 Ca -0.17 -1.12 -0.15 0.00 0.00 0.00 0.00 46.02 44.58 2k8h n GLY 5 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k8h s GLY 6 N 0.00 -0.44 0.28 -0.02 0.00 -1.26 -5.14 107.32 100.74 2k8h s GLY 6 Ca 0.00 1.37 0.04 0.00 0.00 0.00 0.00 44.72 46.13 2k8h s GLY 6 CO 0.00 1.11 0.43 -0.54 0.00 0.00 0.00 173.10 174.10 2k8h s GLU 7 N -0.38 3.42 1.13 2.90 2.02 -1.26 -5.11 118.70 121.42 2k8h s GLU 7 Ca -0.05 -0.65 -0.17 0.00 0.02 0.00 0.00 54.97 54.12 2k8h s GLU 7 Cb -0.03 -2.81 0.25 0.00 0.10 0.00 0.00 34.13 31.64 2k8h s GLU 7 CO 0.04 0.30 1.10 -1.25 0.02 0.00 0.00 175.26 175.48 2k8h s PRO 8 N -4.11 -0.68 -0.35 0.39 0.04 -1.26 -5.07 135.00 123.96 2k8h s PRO 8 Ca 0.37 0.13 0.07 0.00 0.04 0.00 0.00 61.00 61.60 2k8h s PRO 8 Cb -0.09 -1.64 0.19 0.00 0.04 0.00 0.00 34.50 32.99 2k8h s PRO 8 CO 0.31 -3.39 0.59 -1.54 0.04 0.00 0.00 177.00 173.01 2k8h s SER 9 N -3.74 -1.33 0.00 6.66 1.04 -1.26 -5.15 113.70 109.92 2k8h s SER 9 Ca 0.69 -0.39 0.02 0.00 0.48 0.00 0.00 55.95 56.75 2k8h s SER 9 Cb -0.13 1.88 -0.04 0.00 0.10 0.00 0.00 66.02 67.83 2k8h s SER 9 CO 0.57 -0.24 -0.02 0.20 0.98 0.00 0.00 173.24 174.73 2k8h s ASN 10 N 2.28 4.97 0.36 7.02 0.01 -1.26 -5.12 114.94 123.22 2k8h s ASN 10 Ca 0.13 -0.05 -0.04 0.00 -0.71 0.00 0.00 52.86 52.19 2k8h s ASN 10 Cb -0.08 -1.26 0.01 0.00 0.41 0.00 0.00 41.25 40.34 2k8h s ASN 10 CO -0.16 0.28 0.53 0.21 -1.51 0.00 0.00 177.10 176.45 2k8h s ASN 11 N -1.54 0.90 0.00 -1.22 2.47 -1.26 -5.00 114.94 109.30 2k8h s ASN 11 Ca 0.19 -1.49 0.00 0.00 0.42 0.00 0.00 52.86 51.98 2k8h s ASN 11 Cb -0.11 0.71 0.00 0.00 -1.45 0.00 0.00 41.25 40.40 2k8h s ASN 11 CO 0.10 -1.39 0.00 0.61 -3.72 0.00 0.00 177.10 172.70 2k8h n GLY 12 N -0.59 2.42 0.21 1.21 0.00 -1.26 -4.84 105.19 102.35 2k8h n GLY 12 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 0.64 5.26 -0.02 0.00 -1.26 -4.68 105.19 105.13 2k8h n GLY 13 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.16 0.00 -3.54 1.61 1.02 -1.26 -4.67 120.64 113.64 2k8h n GLU 14 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 2k8h n GLU 14 Cb 0.09 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.47 2k8h n GLU 14 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2k8h s GLY 15 N 0.00 -0.47 -0.14 0.62 0.00 -1.26 -5.15 107.32 100.92 2k8h s GLY 15 Ca 0.00 0.55 -0.02 0.00 0.00 0.00 0.00 44.72 45.25 2k8h s GLY 15 CO 0.00 0.24 0.01 0.00 0.00 0.00 0.00 173.10 173.35 2k8h s ALA 16 N -2.83 0.98 0.62 3.20 0.00 -1.26 -5.14 121.76 117.33 2k8h s ALA 16 Ca -0.03 -0.51 -0.12 0.00 0.00 0.00 0.00 51.96 51.30 2k8h s ALA 16 Cb -0.00 -1.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 2k8h s ALA 16 CO -0.05 -0.83 1.03 -1.83 0.00 0.00 0.00 175.76 174.08 2k8h s GLU 17 N 1.86 3.52 0.00 0.00 -1.05 -1.26 -4.89 118.70 116.88 2k8h s GLU 17 Ca 0.02 0.82 0.00 0.00 -0.15 0.00 0.00 54.97 55.65 2k8h s GLU 17 Cb -0.15 -2.07 0.00 0.00 -0.44 0.00 0.00 34.13 31.47 2k8h s GLU 17 CO -0.07 -0.63 0.00 0.41 0.95 0.00 0.00 175.26 175.92 2k8h n GLY 18 N -2.46 -0.78 2.18 -3.83 0.00 -1.26 -5.05 105.19 93.98 2k8h n GLY 18 Ca 0.06 0.27 -0.02 0.00 0.00 0.00 0.00 46.02 46.34 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 0.00-11.10 -4.88 2.61 -1.04 -1.26 -5.04 114.28 93.57 2k8h n THR 19 Ca 0.00 2.44 -0.27 0.00 -2.04 0.00 0.00 64.05 64.17 2k8h n THR 19 Cb 0.00 -5.65 -0.16 0.00 -1.82 0.00 0.00 70.33 62.70 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 0.22 3.53 -0.28 0.00 3.01 -1.26 -5.08 119.74 119.88 2k8h s LYS 21 Ca -0.09 -0.16 -0.29 0.00 -1.01 0.00 0.00 55.97 54.43 2k8h s LYS 21 Cb -0.14 -3.20 0.19 0.00 -1.01 0.00 0.00 37.83 33.67 2k8h s LYS 21 CO 0.04 0.70 1.36 -2.00 0.51 0.00 0.00 175.35 175.96 2k8h s GLU 22 N -0.81 0.08 -0.33 1.68 2.12 -1.26 -5.02 118.70 115.16 2k8h s GLU 22 Ca 0.14 0.03 0.07 0.00 0.36 0.00 0.00 54.97 55.56 2k8h s GLU 22 Cb -0.12 0.04 0.64 0.00 0.26 0.00 0.00 34.13 34.95 2k8h s GLU 22 CO 0.03 -0.02 1.73 0.39 -0.54 0.00 0.00 175.26 176.85 2k8h n GLU 23 N 0.68 2.95 -3.69 4.30 1.02 -1.26 -4.88 120.64 119.77 2k8h n GLU 23 Ca -0.02 -2.69 -0.13 0.00 -0.02 0.00 0.00 57.16 54.30 2k8h n GLU 23 Cb 0.59 -2.09 -0.09 0.00 -0.02 0.00 0.00 31.44 29.83 2k8h n GLU 23 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2k8h s THR 24 N -2.77 -0.00 -0.28 2.62 2.01 -1.26 -5.16 115.64 110.79 2k8h s THR 24 Ca 0.49 0.01 -0.25 0.00 0.31 0.00 0.00 61.69 62.26 2k8h s THR 24 Cb 0.40 -0.74 0.12 0.00 0.01 0.00 0.00 72.50 72.30 2k8h s THR 24 CO 0.11 0.00 1.04 0.00 -0.69 0.00 0.00 174.62 175.09 2k8h s ALA 25 N 0.52 -1.98 -0.13 7.40 0.00 -1.26 -5.01 121.76 121.30 2k8h s ALA 25 Ca -0.02 1.87 -0.04 0.00 0.00 0.00 0.00 51.96 53.77 2k8h s ALA 25 Cb -0.04 -1.45 0.05 0.00 0.00 0.00 0.00 23.12 21.68 2k8h s ALA 25 CO -0.03 -0.23 0.07 -0.51 0.00 0.00 0.00 175.76 175.07 2k8h s LEU 26 N 0.22 0.36 -0.09 0.00 1.02 -1.26 -3.93 118.68 114.99 2k8h s LEU 26 Ca 0.03 -0.42 -0.09 0.00 0.02 0.00 0.00 54.13 53.68 2k8h s LEU 26 Cb -0.05 -0.25 0.02 0.00 0.02 0.00 0.00 46.19 45.93 2k8h s LEU 26 CO -0.06 -0.31 0.26 0.68 0.02 0.00 0.00 176.35 176.93 2k8h s VAL 27 N 2.12 0.00 -0.11 -1.59 -7.23 -0.59 -4.75 120.40 108.25 2k8h s VAL 27 Ca 0.03 -0.01 -0.09 0.00 -1.81 0.00 0.00 61.98 60.10 2k8h s VAL 27 Cb -0.15 -0.37 -0.04 0.00 0.56 0.00 0.00 36.38 36.38 2k8h s VAL 27 CO -0.07 -0.01 0.19 0.00 -0.31 0.00 0.00 175.10 174.90 2k8h s ALA 28 N 0.10 3.82 -0.02 1.32 0.00 -0.20 -1.37 121.76 125.41 2k8h s ALA 28 Ca -0.00 -0.57 0.05 0.00 0.00 0.00 0.00 51.96 51.43 2k8h s ALA 28 Cb -0.02 -2.08 -0.01 0.00 0.00 0.00 0.00 23.12 21.02 2k8h s ALA 28 CO 0.00 0.52 -0.18 0.08 0.00 0.00 0.00 175.76 176.19 2k8h s VAL 29 N -0.81 1.41 -0.15 0.00 1.01 -0.47 -1.59 120.40 119.80 2k8h s VAL 29 Ca 0.16 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.39 2k8h s VAL 29 Cb -0.13 -1.19 0.02 0.00 0.00 0.00 0.00 36.38 35.09 2k8h s VAL 29 CO 0.05 0.40 -0.14 -0.75 0.00 0.00 0.00 175.10 174.66 2k8h s LYS 30 N -0.26 2.29 -0.24 2.72 2.20 -0.38 -1.38 119.74 124.68 2k8h s LYS 30 Ca 0.03 -0.56 -0.11 0.00 -0.36 0.00 0.00 55.97 54.97 2k8h s LYS 30 Cb -0.08 -2.11 -0.05 0.00 -1.51 0.00 0.00 37.83 34.08 2k8h s LYS 30 CO 0.00 -0.24 0.19 0.54 -0.36 0.00 0.00 175.35 175.48 2k8h s VAL 31 N 1.49 5.33 0.01 4.02 0.11 -0.45 -1.47 120.40 129.45 2k8h s VAL 31 Ca 0.05 0.24 0.07 0.00 -2.93 0.00 0.00 61.98 59.41 2k8h s VAL 31 Cb -0.13 -3.53 -0.03 0.00 -1.53 0.00 0.00 36.38 31.16 2k8h s VAL 31 CO -0.11 0.32 -0.21 0.68 -3.33 0.00 0.00 175.10 172.45 2k8h s VAL 32 N 1.19 2.54 0.16 2.04 -7.23 -0.53 -1.35 120.40 117.21 2k8h s VAL 32 Ca 0.09 -1.12 0.10 0.00 -1.81 0.00 0.00 61.98 59.23 2k8h s VAL 32 Cb -0.14 -2.00 -0.04 0.00 0.56 0.00 0.00 36.38 34.76 2k8h s VAL 32 CO 0.06 0.45 -0.18 0.21 -0.31 0.00 0.00 175.10 175.33 2k8h s ASN 33 N -1.07 3.83 0.35 4.85 2.47 -0.97 -1.30 114.94 123.10 2k8h s ASN 33 Ca 0.12 -0.66 0.08 0.00 0.42 0.00 0.00 52.86 52.82 2k8h s ASN 33 Cb -0.10 -0.50 0.78 0.00 -1.45 0.00 0.00 41.25 39.98 2k8h s ASN 33 CO 0.02 0.14 1.87 0.00 -3.72 0.00 0.00 177.10 175.41 2k8h h ALA 34 N 3.35 1.78 0.00 1.71 0.00 -1.89 0.21 119.26 124.41 2k8h h ALA 34 Ca -0.48 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 2k8h h ALA 34 Cb 1.19 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2k8h h ALA 34 CO 0.48 -0.01 -0.18 0.22 0.00 0.00 0.00 179.25 179.76 2k8h h ASP 35 N 0.74 0.00 0.00 0.00 1.82 -1.95 -3.46 116.42 113.56 2k8h h ASP 35 Ca 0.44 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.08 2k8h h ASP 35 Cb 0.65 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.66 2k8h h ASP 35 CO -0.20 0.18 0.00 0.61 -1.61 0.00 0.00 179.24 178.22 2k8h n GLY 36 N -0.40 1.94 3.56 -0.78 0.00 0.73 -5.07 105.19 105.17 2k8h n GLY 36 Ca -0.01 -0.58 -0.51 0.00 0.00 0.00 0.00 46.02 44.92 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 0.80 -2.15 4.61 0.00 -1.26 -4.47 120.51 118.04 2k8h n ALA 37 Ca 0.00 0.10 -0.10 0.00 0.00 0.00 0.00 53.44 53.44 2k8h n ALA 37 Cb 0.00 -2.49 -0.10 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 5.21 0.90 -0.28 0.00 -1.05 -1.26 -2.28 118.70 119.93 2k8h s GLU 38 Ca 1.03 -1.41 -0.20 0.00 -0.15 0.00 0.00 54.97 54.24 2k8h s GLU 38 Cb -0.84 0.15 0.10 0.00 -0.44 0.00 0.00 34.13 33.10 2k8h s GLU 38 CO 0.53 -0.21 0.85 0.00 0.95 0.00 0.00 175.26 177.38 2k8h s MET 39 N -4.00 0.61 0.15 -4.83 0.23 -0.46 -4.99 119.30 106.01 2k8h s MET 39 Ca 0.21 0.88 0.11 0.00 -1.03 0.00 0.00 55.69 55.86 2k8h s MET 39 Cb 0.07 0.21 -0.04 0.00 -1.53 0.00 0.00 34.83 33.55 2k8h s MET 39 CO -0.00 -0.10 -0.25 -0.59 -2.03 0.00 0.00 175.02 172.05 2k8h s PHE 40 N 0.92 2.21 0.06 3.16 -0.71 -1.26 -1.34 117.98 121.02 2k8h s PHE 40 Ca -0.04 -0.38 -0.25 0.00 -1.04 0.00 0.00 56.93 55.21 2k8h s PHE 40 Cb -0.05 -1.16 0.07 0.00 -1.21 0.00 0.00 43.02 40.67 2k8h s PHE 40 CO -0.10 0.38 0.61 -0.06 -1.34 0.00 0.00 175.22 174.70 2k8h s PHE 41 N -1.34 -0.55 -0.14 3.49 0.08 -0.48 -4.99 117.98 114.05 2k8h s PHE 41 Ca 0.15 0.62 -0.13 0.00 0.12 0.00 0.00 56.93 57.70 2k8h s PHE 41 Cb -0.09 0.46 -0.05 0.00 -0.57 0.00 0.00 43.02 42.77 2k8h s PHE 41 CO 0.07 -0.72 0.27 0.50 -0.10 0.00 0.00 175.22 175.24 2k8h s ARG 42 N -2.61 4.12 0.18 0.44 3.52 -1.26 -1.37 118.95 121.96 2k8h s ARG 42 Ca -0.04 0.07 -0.23 0.00 -0.13 0.00 0.00 55.73 55.40 2k8h s ARG 42 Cb -0.01 -3.37 0.06 0.00 -1.56 0.00 0.00 34.95 30.07 2k8h s ARG 42 CO -0.03 0.36 0.66 -1.50 -0.81 0.00 0.00 175.30 173.98 2k8h s ILE 43 N 0.11 0.00 0.25 4.11 2.07 -0.47 -4.98 121.20 122.29 2k8h s ILE 43 Ca 0.16 -0.26 -0.31 0.00 -1.41 0.00 0.00 60.65 58.83 2k8h s ILE 43 Cb -0.13 -1.27 -0.12 0.00 0.13 0.00 0.00 42.46 41.07 2k8h s ILE 43 CO 0.04 0.00 1.65 -0.54 -1.91 0.00 0.00 174.94 174.18 2k8h s LYS 44 N -3.74 4.13 0.55 3.50 -0.14 -1.25 -1.54 119.74 121.24 2k8h s LYS 44 Ca 0.04 2.58 0.29 0.00 -1.36 0.00 0.00 55.97 57.53 2k8h s LYS 44 Cb -0.02 -3.05 1.46 0.00 -1.68 0.00 0.00 37.83 34.54 2k8h s LYS 44 CO -0.07 -0.69 1.92 1.03 -0.76 0.00 0.00 175.35 176.78 2k8h h SER 45 N 5.78 0.00 -0.29 2.83 0.87 -1.84 0.21 113.55 121.10 2k8h h SER 45 Ca -0.45 0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.19 2k8h h SER 45 Cb 1.21 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.16 2k8h h SER 45 CO 0.87 0.00 0.32 0.03 -0.53 0.00 0.00 176.83 177.52 2k8h h ARG 46 N 0.00 0.00 -1.89 2.24 2.47 -1.89 -3.39 114.38 111.92 2k8h h ARG 46 Ca 0.33 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 59.02 2k8h h ARG 46 Cb 1.41 0.00 -0.25 0.00 -1.65 0.00 0.00 29.97 29.48 2k8h h ARG 46 CO -0.00 0.00 -0.32 0.99 0.56 0.00 0.00 179.97 181.20 2k8h s THR 47 N -4.62 -0.80 0.37 2.04 2.01 0.72 -4.91 115.64 110.46 2k8h s THR 47 Ca -0.04 0.03 0.00 0.00 0.31 0.00 0.00 61.69 61.99 2k8h s THR 47 Cb 0.15 -0.86 0.00 0.00 0.01 0.00 0.00 72.50 71.81 2k8h s THR 47 CO 0.54 -0.01 0.00 0.00 -0.69 0.00 0.00 174.62 174.46 2k8h n ALA 48 N 5.41 0.62 0.18 7.40 0.00 -1.26 -4.20 120.51 128.66 2k8h n ALA 48 Ca -0.06 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.41 2k8h n ALA 48 Cb 0.50 0.00 0.40 0.00 0.00 0.00 0.00 19.45 20.35 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 0.13 0.00 7.12 -1.91 -0.27 115.31 120.44 2k8h h LEU 49 Ca 0.00 -0.01 -0.01 0.00 0.13 0.00 0.00 57.88 57.99 2k8h h LEU 49 Cb 0.00 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.12 2k8h h LEU 49 CO 0.00 0.33 -0.06 0.11 -0.13 0.00 0.00 178.44 178.68 2k8h h LYS 50 N 0.05 -0.16 0.00 1.25 1.79 -1.92 -1.01 116.57 116.57 2k8h h LYS 50 Ca 0.01 0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 58.38 2k8h h LYS 50 Cb 0.51 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.18 2k8h h LYS 50 CO 0.04 0.06 -0.53 0.87 -1.08 0.00 0.00 179.45 178.81 2k8h h LYS 51 N -0.37 0.00 0.22 3.15 1.57 -1.88 -0.94 116.57 118.33 2k8h h LYS 51 Ca -0.02 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2k8h h LYS 51 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2k8h h LYS 51 CO 0.03 0.53 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.26 2k8h h LEU 52 N 0.00 -0.25 -0.66 2.94 4.07 -0.90 0.25 115.31 120.76 2k8h h LEU 52 Ca -0.01 -0.20 -0.14 0.00 0.08 0.00 0.00 57.88 57.61 2k8h h LEU 52 Cb 1.02 0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.81 2k8h h LEU 52 CO 0.07 0.07 -0.61 -0.29 -1.08 0.00 0.00 178.44 176.60 2k8h h ILE 53 N -0.59 1.39 -0.27 1.22 2.10 -1.22 -0.87 117.51 119.28 2k8h h ILE 53 Ca -0.03 -2.01 -0.16 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 38.19 2k8h h ILE 53 CO 0.05 0.59 -0.47 -0.78 -1.08 0.00 0.00 178.15 176.46 2k8h h ASP 54 N 0.15 0.88 0.01 2.19 3.58 -1.15 -0.91 116.42 121.17 2k8h h ASP 54 Ca -0.01 -0.53 -0.22 0.00 0.42 0.00 0.00 57.03 56.69 2k8h h ASP 54 Cb 1.11 -0.25 0.01 0.00 1.72 0.00 0.00 39.33 41.92 2k8h h ASP 54 CO 0.09 1.24 -0.84 0.74 -2.88 0.00 0.00 179.24 177.59 2k8h h THR 55 N 0.55 1.31 -0.31 2.25 2.02 -0.48 -1.10 112.91 117.14 2k8h h THR 55 Ca 0.02 -2.11 -0.10 0.00 0.77 0.00 0.00 66.41 65.00 2k8h h THR 55 Cb 1.07 2.13 -0.01 0.00 -1.74 0.00 0.00 68.15 69.60 2k8h h THR 55 CO 0.11 0.65 -0.18 0.22 0.37 0.00 0.00 175.52 176.69 2k8h h TYR 56 N 0.43 0.78 -0.13 3.16 5.03 -1.18 0.33 116.97 125.39 2k8h h TYR 56 Ca -0.07 -0.20 -0.05 0.00 2.58 0.00 0.00 58.73 60.99 2k8h h TYR 56 Cb 1.46 -0.18 -0.00 0.00 1.55 0.00 0.00 36.73 39.56 2k8h h TYR 56 CO 0.08 0.90 -0.13 0.00 -1.32 0.00 0.00 178.16 177.69 2k8h h LYS 58 N -0.07 0.96 -0.22 0.00 1.57 -1.23 -0.20 116.57 117.38 2k8h h LYS 58 Ca 0.02 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 2k8h h LYS 58 Cb 0.66 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 2k8h h LYS 58 CO 0.03 0.83 0.02 -0.22 -0.57 0.00 0.00 179.45 179.54 2k8h h LYS 59 N 0.89 0.38 0.00 3.15 3.64 -0.94 -2.53 116.57 121.17 2k8h h LYS 59 Ca 0.20 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2k8h h LYS 59 Cb 0.26 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2k8h h LYS 59 CO -0.01 0.54 0.00 0.37 -2.27 0.00 0.00 179.45 178.08 2k8h h GLN 60 N 0.17 0.00 0.00 1.90 4.15 -1.06 -3.46 115.11 116.81 2k8h h GLN 60 Ca 0.07 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.49 2k8h h GLN 60 Cb 0.36 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.05 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 -0.62 0.66 3.14 2.39 0.00 -0.66 -5.07 105.19 105.03 2k8h n GLY 61 Ca -0.01 -0.75 -0.21 0.00 0.00 0.00 0.00 46.02 45.05 2k8h n GLY 61 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k8h s ILE 62 N -2.00 1.15 1.24 -0.61 -1.09 -0.18 -5.03 121.20 114.68 2k8h s ILE 62 Ca 0.00 -0.87 -0.16 0.00 -2.23 0.00 0.00 60.65 57.38 2k8h s ILE 62 Cb 0.00 -1.01 0.28 0.00 -1.58 0.00 0.00 42.46 40.15 2k8h s ILE 62 CO 0.00 0.13 0.78 -1.20 -1.23 0.00 0.00 174.94 173.42 2k8h n SER 63 N 2.19 -2.47 -2.52 3.58 7.64 -1.26 -4.00 113.62 116.77 2k8h n SER 63 Ca -0.17 -0.33 -0.26 0.00 1.01 0.00 0.00 58.87 59.12 2k8h n SER 63 Cb 0.55 -1.13 -0.07 0.00 -1.01 0.00 0.00 64.21 62.55 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 -4.56 2.58 -2.70 1.43 0.63 -1.26 -4.17 116.66 108.61 2k8h n ARG 64 Ca 0.04 -2.19 -0.05 0.00 -0.92 0.00 0.00 57.85 54.72 2k8h n ARG 64 Cb 0.56 -2.18 0.09 0.00 0.45 0.00 0.00 32.46 31.38 2k8h n ARG 64 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2k8h n ASN 65 N 1.35 -0.57 -0.59 6.15 5.15 -1.26 -4.90 115.26 120.59 2k8h n ASN 65 Ca 0.50 -2.38 -0.01 0.00 -0.60 0.00 0.00 54.58 52.09 2k8h n ASN 65 Cb 0.58 0.38 -0.01 0.00 -0.53 0.00 0.00 39.78 40.21 2k8h n ASN 65 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2k8h n SER 66 N -0.74 -0.07 -3.64 1.20 3.41 -1.26 -5.09 113.62 107.43 2k8h n SER 66 Ca -0.03 -1.37 -0.05 0.00 -0.26 0.00 0.00 58.87 57.16 2k8h n SER 66 Cb 0.84 -0.03 -0.07 0.00 -0.26 0.00 0.00 64.21 64.70 2k8h n SER 66 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2k8h s VAL 67 N 0.00 -0.81 -0.44 -3.33 -7.23 -1.26 -4.82 120.40 102.51 2k8h s VAL 67 Ca 0.01 0.09 -0.18 0.00 -1.81 0.00 0.00 61.98 60.10 2k8h s VAL 67 Cb 0.01 -0.82 0.03 0.00 0.56 0.00 0.00 36.38 36.17 2k8h s VAL 67 CO -0.01 0.04 0.48 -0.13 -0.31 0.00 0.00 175.10 175.17 2k8h s ARG 68 N 2.74 3.10 -0.42 4.82 3.00 -0.55 -4.87 118.95 126.77 2k8h s ARG 68 Ca -0.03 -0.81 -0.21 0.00 0.00 0.00 0.00 55.73 54.68 2k8h s ARG 68 Cb -0.12 -4.00 0.02 0.00 0.00 0.00 0.00 34.95 30.85 2k8h s ARG 68 CO -0.16 -0.94 0.65 -0.06 0.00 0.00 0.00 175.30 174.79 2k8h s PHE 69 N 2.23 3.07 0.12 -0.53 0.08 -1.26 -1.28 117.98 120.41 2k8h s PHE 69 Ca 0.13 0.04 0.09 0.00 0.12 0.00 0.00 56.93 57.31 2k8h s PHE 69 Cb -0.18 -3.34 -0.04 0.00 -0.57 0.00 0.00 43.02 38.89 2k8h s PHE 69 CO 0.13 -0.83 -0.20 -0.48 -0.10 0.00 0.00 175.22 173.74 2k8h s LEU 70 N 2.84 2.63 -0.28 -0.37 0.05 -1.08 -1.08 118.68 121.40 2k8h s LEU 70 Ca 0.24 -0.60 0.02 0.00 0.05 0.00 0.00 54.13 53.83 2k8h s LEU 70 Cb -0.14 -1.48 0.07 0.00 -2.05 0.00 0.00 46.19 42.59 2k8h s LEU 70 CO 0.19 0.17 -0.04 0.12 -0.55 0.00 0.00 176.35 176.24 2k8h s PHE 71 N -1.17 3.07 -2.10 3.48 5.36 -0.38 -1.22 117.98 125.03 2k8h s PHE 71 Ca 0.18 -2.31 0.00 0.00 -0.96 0.00 0.00 56.93 53.83 2k8h s PHE 71 Cb -0.10 -2.07 0.00 0.00 -0.34 0.00 0.00 43.02 40.50 2k8h s PHE 71 CO 0.10 -0.87 0.00 -3.47 -1.46 0.00 0.00 175.22 169.52 2k8h n ASP 72 N 4.47 -5.35 0.00 6.13 -0.08 -1.26 -1.16 116.55 119.30 2k8h n ASP 72 Ca -0.08 0.45 0.00 0.00 -1.51 0.00 0.00 54.79 53.65 2k8h n ASP 72 Cb 0.43 -4.71 0.00 0.00 2.34 0.00 0.00 41.12 39.18 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 -0.44 1.09 3.17 0.27 0.00 -1.26 -5.06 105.19 102.95 2k8h n GLY 73 Ca -0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 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 4.40 -0.62 2.61 -4.23 -0.31 -4.96 115.64 110.53 2k8h s THR 74 Ca 0.00 -3.01 -0.26 0.00 -1.18 0.00 0.00 61.69 57.23 2k8h s THR 74 Cb 0.00 -3.78 -0.02 0.00 1.34 0.00 0.00 72.50 70.03 2k8h s THR 74 CO 0.00 -0.96 1.86 -2.16 -0.54 0.00 0.00 174.62 172.82 2k8h s PRO 75 N -0.28 2.62 -0.08 3.99 0.04 -1.26 -1.25 135.00 138.78 2k8h s PRO 75 Ca 0.20 0.57 -0.14 0.00 0.04 0.00 0.00 61.00 61.67 2k8h s PRO 75 Cb -0.15 -4.41 0.03 0.00 0.04 0.00 0.00 34.50 30.01 2k8h s PRO 75 CO -0.06 -2.76 0.35 0.42 0.04 0.00 0.00 177.00 174.99 2k8h s ILE 76 N 9.12 0.03 -0.56 0.56 1.01 -0.24 -4.90 121.20 126.23 2k8h s ILE 76 Ca 0.67 -0.22 0.02 0.00 0.00 0.00 0.00 60.65 61.12 2k8h s ILE 76 Cb -0.12 -0.58 0.14 0.00 0.01 0.00 0.00 42.46 41.91 2k8h s ILE 76 CO 0.20 -0.12 0.32 -0.62 0.00 0.00 0.00 174.94 174.72 2k8h s ASP 77 N -0.57 4.60 -0.16 3.58 2.15 -1.26 -4.61 116.67 120.40 2k8h s ASP 77 Ca -0.07 -2.99 -0.35 0.00 0.43 0.00 0.00 52.55 49.57 2k8h s ASP 77 Cb -0.04 -1.71 0.15 0.00 -0.30 0.00 0.00 42.92 41.03 2k8h s ASP 77 CO 0.03 -0.27 1.40 -1.61 -0.17 0.00 0.00 175.17 174.55 2k8h s GLU 78 N -0.26 0.07 -0.40 4.34 2.02 -1.26 -4.98 118.70 118.22 2k8h s GLU 78 Ca 0.17 -0.03 0.05 0.00 0.02 0.00 0.00 54.97 55.18 2k8h s GLU 78 Cb -0.24 0.03 0.47 0.00 0.10 0.00 0.00 34.13 34.49 2k8h s GLU 78 CO -0.01 -0.03 1.51 -2.37 0.02 0.00 0.00 175.26 174.38 2k8h n THR 79 N -0.30 2.87 0.00 3.63 5.66 -1.26 -4.47 114.28 120.40 2k8h n THR 79 Ca -0.04 -3.49 0.00 0.00 -3.05 0.00 0.00 64.05 57.48 2k8h n THR 79 Cb 0.61 -0.95 0.00 0.00 -1.55 0.00 0.00 70.33 68.44 2k8h n THR 79 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2k8h n LYS 80 N -0.87 0.00 0.21 1.09 3.00 -1.26 -4.57 118.16 115.76 2k8h n LYS 80 Ca 0.47 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.67 2k8h n LYS 80 Cb 0.90 -0.41 -0.06 0.00 0.00 0.00 0.00 35.03 35.47 2k8h n LYS 80 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 2k8h h THR 81 N 0.00 0.20 0.00 3.15 1.35 -1.98 -1.25 112.91 114.37 2k8h h THR 81 Ca 0.00 -0.59 -0.08 0.00 -0.55 0.00 0.00 66.41 65.19 2k8h h THR 81 Cb 0.00 0.31 -0.01 0.00 -1.73 0.00 0.00 68.15 66.72 2k8h h THR 81 CO 0.00 0.04 -0.40 1.55 -0.25 0.00 0.00 175.52 176.47 2k8h h PRO 82 N -1.09 0.00 -0.04 4.72 0.13 -1.92 -0.94 132.00 132.86 2k8h h PRO 82 Ca -0.06 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.83 2k8h h PRO 82 Cb 0.53 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.67 2k8h h PRO 82 CO 0.10 0.40 -0.95 1.05 -0.23 0.00 0.00 178.00 178.37 2k8h h GLU 83 N 0.00 0.63 0.00 0.86 -0.00 -1.84 -0.65 114.58 113.58 2k8h h GLU 83 Ca -0.00 -0.63 -0.11 0.00 -0.00 0.00 0.00 59.36 58.61 2k8h h GLU 83 Cb 0.79 0.17 -0.02 0.00 -0.00 0.00 0.00 28.75 29.69 2k8h h GLU 83 CO 0.05 1.24 -0.53 1.05 -0.00 0.00 0.00 179.01 180.82 2k8h h GLU 84 N 0.38 0.00 0.08 1.06 4.11 -1.13 -2.22 114.58 116.85 2k8h h GLU 84 Ca -0.10 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.05 2k8h h GLU 84 Cb 1.59 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.82 2k8h h GLU 84 CO 0.18 0.53 -1.41 1.25 0.07 0.00 0.00 179.01 179.64 2k8h h LEU 85 N 0.00 0.25 0.00 3.06 6.46 -1.19 -3.37 115.31 120.52 2k8h h LEU 85 Ca -0.01 -0.34 -0.00 0.00 -0.12 0.00 0.00 57.88 57.42 2k8h h LEU 85 Cb 1.41 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 41.25 2k8h h LEU 85 CO 0.07 1.28 -0.00 1.23 -0.62 0.00 0.00 178.44 180.40 2k8h h GLY 86 N 2.22 -0.00 -5.26 3.75 0.00 -1.17 -3.49 103.07 99.12 2k8h h GLY 86 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 46.84 2k8h h GLY 86 CO 0.15 -0.00 -0.67 1.03 0.00 0.00 0.00 176.54 177.05 2k8h n MET 87 N -4.63 -6.13 -3.91 4.80 2.81 -0.84 -5.01 117.12 104.22 2k8h n MET 87 Ca -0.10 0.75 -0.09 0.00 -1.81 0.00 0.00 57.70 56.46 2k8h n MET 87 Cb 0.46 -5.51 -0.02 0.00 -0.71 0.00 0.00 33.22 27.44 2k8h n MET 87 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 2k8h s GLU 88 N -5.38 1.83 -0.16 0.03 -1.05 -1.26 -5.04 118.70 107.66 2k8h s GLU 88 Ca 0.09 -1.24 0.16 0.00 -0.15 0.00 0.00 54.97 53.84 2k8h s GLU 88 Cb -0.04 0.56 0.72 0.00 -0.44 0.00 0.00 34.13 34.93 2k8h s GLU 88 CO 0.65 -0.82 1.64 -0.40 0.95 0.00 0.00 175.26 177.28 2k8h n ASP 89 N -0.74 4.95 -2.19 0.83 5.75 -1.26 -4.40 116.55 119.49 2k8h n ASP 89 Ca -0.04 -2.68 -0.24 0.00 -0.01 0.00 0.00 54.79 51.82 2k8h n ASP 89 Cb 0.60 -0.60 0.02 0.00 -1.03 0.00 0.00 41.12 40.11 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 0.71 4.71 -4.60 -1.12 8.00 -1.19 -1.03 116.55 122.02 2k8h n ASP 90 Ca 0.25 -3.67 -0.43 0.00 0.71 0.00 0.00 54.79 51.65 2k8h n ASP 90 Cb 0.99 -0.38 -0.02 0.00 -0.02 0.00 0.00 41.12 41.68 2k8h n ASP 90 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2k8h s ASP 91 N -3.58 6.18 -0.04 -2.24 2.15 -0.62 -4.89 116.67 113.62 2k8h s ASP 91 Ca 0.49 1.10 0.00 0.00 0.43 0.00 0.00 52.55 54.57 2k8h s ASP 91 Cb 0.40 -2.53 -0.03 0.00 -0.30 0.00 0.00 42.92 40.46 2k8h s ASP 91 CO -0.03 -1.51 -0.01 0.68 -0.17 0.00 0.00 175.17 174.13 2k8h s VAL 92 N 5.95 4.13 -0.12 1.11 -7.23 -1.26 -1.25 120.40 121.72 2k8h s VAL 92 Ca 0.69 -0.47 -0.02 0.00 -1.81 0.00 0.00 61.98 60.38 2k8h s VAL 92 Cb -0.18 -2.78 0.04 0.00 0.56 0.00 0.00 36.38 34.02 2k8h s VAL 92 CO 0.33 0.49 -0.00 0.27 -0.31 0.00 0.00 175.10 175.87 2k8h s ILE 93 N -0.98 0.56 -0.38 -0.62 -4.36 -0.54 -4.19 121.20 110.69 2k8h s ILE 93 Ca 0.16 -0.21 -0.14 0.00 -0.26 0.00 0.00 60.65 60.20 2k8h s ILE 93 Cb -0.11 -0.82 0.00 0.00 1.25 0.00 0.00 42.46 42.78 2k8h s ILE 93 CO 0.06 0.10 0.30 -0.62 0.24 0.00 0.00 174.94 175.02 2k8h s ASP 94 N 1.88 6.11 -0.22 4.36 -1.08 -0.36 -1.45 116.67 125.90 2k8h s ASP 94 Ca 0.03 -0.64 -0.29 0.00 -0.52 0.00 0.00 52.55 51.12 2k8h s ASP 94 Cb -0.14 -2.16 0.01 0.00 -1.46 0.00 0.00 42.92 39.16 2k8h s ASP 94 CO -0.07 -0.38 1.05 0.00 0.52 0.00 0.00 175.17 176.30 2k8h s ALA 95 N 1.77 3.67 0.16 3.66 0.00 -0.42 -2.64 121.76 127.97 2k8h s ALA 95 Ca 0.07 0.21 0.09 0.00 0.00 0.00 0.00 51.96 52.33 2k8h s ALA 95 Cb -0.18 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 2k8h s ALA 95 CO 0.11 -1.03 -0.21 -1.64 0.00 0.00 0.00 175.76 172.99 2k8h s MET 96 N 3.16 1.33 -0.17 0.00 -1.94 -0.40 -3.66 119.30 117.62 2k8h s MET 96 Ca 0.45 -1.41 -0.11 0.00 -1.71 0.00 0.00 55.69 52.91 2k8h s MET 96 Cb -0.16 -1.51 -0.05 0.00 2.01 0.00 0.00 34.83 35.13 2k8h s MET 96 CO 0.07 0.32 0.20 0.14 -0.01 0.00 0.00 175.02 175.74 2k8h s VAL 97 N -1.79 5.37 -0.41 -6.03 -7.23 -1.26 -1.48 120.40 107.56 2k8h s VAL 97 Ca 0.16 0.34 0.05 0.00 -1.81 0.00 0.00 61.98 60.72 2k8h s VAL 97 Cb -0.07 -3.52 0.47 0.00 0.56 0.00 0.00 36.38 33.82 2k8h s VAL 97 CO 0.07 0.46 1.52 1.21 -0.31 0.00 0.00 175.10 178.04 2k8h n GLU 98 N 3.23 2.94 -1.30 4.82 0.00 -1.26 -5.05 120.64 124.02 2k8h n GLU 98 Ca -0.15 -3.68 0.17 0.00 0.00 0.00 0.00 57.16 53.50 2k8h n GLU 98 Cb 0.52 -2.18 -0.06 0.00 0.00 0.00 0.00 31.44 29.73 2k8h n GLU 98 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2k8h n GLN 99 N -0.87 -2.75 -4.75 5.31 3.00 -1.26 -4.93 117.38 111.14 2k8h n GLN 99 Ca 0.48 1.98 -0.24 0.00 -0.01 0.00 0.00 57.00 59.21 2k8h n GLN 99 Cb 0.90 -3.30 -0.15 0.00 0.00 0.00 0.00 30.24 27.68 2k8h n GLN 99 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2k8h s THR 100 N -2.79 1.26 -0.17 5.09 2.01 -1.26 -5.12 115.64 114.66 2k8h s THR 100 Ca 0.00 -0.67 -0.12 0.00 0.31 0.00 0.00 61.69 61.21 2k8h s THR 100 Cb 0.00 -1.05 -0.05 0.00 0.01 0.00 0.00 72.50 71.41 2k8h s THR 100 CO 0.00 0.36 0.22 -0.83 -0.69 0.00 0.00 174.62 173.67 2k8h s GLY 101 N -0.30 2.14 0.00 4.40 0.00 -1.26 -5.13 107.32 107.17 2k8h s GLY 101 Ca 0.05 -0.56 0.00 0.00 0.00 0.00 0.00 44.72 44.21 2k8h s GLY 101 CO -0.00 0.22 0.00 0.61 0.00 0.00 0.00 173.10 173.93