#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k8n s ASP 32 N 0.00 5.61 0.20 1.67 1.11 -1.26 -5.07 116.67 118.93 3k8n s ASP 32 Ca 0.00 -1.01 -0.32 0.00 0.18 0.00 0.00 52.55 51.40 3k8n s ASP 32 Cb 0.00 -1.98 -0.15 0.00 1.07 0.00 0.00 42.92 41.86 3k8n s ASP 32 CO 0.00 -0.36 1.23 -2.65 1.18 0.00 0.00 175.17 174.57 3k8n n PRO 33 N 4.95 1.45 -0.01 8.23 -0.02 -1.26 -4.93 135.00 143.41 3k8n n PRO 33 Ca -0.12 0.52 0.06 0.00 -2.02 0.00 0.00 63.50 61.93 3k8n n PRO 33 Cb 0.46 -2.06 0.05 0.00 -0.02 0.00 0.00 33.50 31.93 3k8n n PRO 33 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3k8n n THR 34 N 1.56 0.06 -2.06 3.45 -2.24 -1.26 -4.90 114.28 108.89 3k8n n THR 34 Ca 0.14 -0.53 -0.32 0.00 -2.27 0.00 0.00 64.05 61.07 3k8n n THR 34 Cb 0.27 1.19 -0.00 0.00 -2.10 0.00 0.00 70.33 69.68 3k8n n THR 34 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3k8n s ASN 35 N -0.93 6.22 0.47 3.42 4.22 -1.26 -4.96 114.94 122.11 3k8n s ASN 35 Ca 0.14 1.56 0.20 0.00 -2.14 0.00 0.00 52.86 52.62 3k8n s ASN 35 Cb 0.09 -2.50 1.15 0.00 1.28 0.00 0.00 41.25 41.28 3k8n s ASN 35 CO 0.14 -0.87 1.99 -0.07 -2.04 0.00 0.00 177.10 176.25 3k8n h LEU 36 N 0.22 0.00 -1.15 3.54 4.07 -2.00 -0.47 115.31 119.52 3k8n h LEU 36 Ca -0.45 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.51 3k8n h LEU 36 Cb 1.19 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.93 3k8n h LEU 36 CO 0.61 0.19 0.00 -0.33 -1.08 0.00 0.00 178.44 177.83 3k8n h GLU 37 N 0.00 0.00 -0.63 1.13 4.39 -1.93 -2.80 114.58 114.73 3k8n h GLU 37 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3k8n h GLU 37 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 3k8n h GLU 37 CO 0.02 0.00 0.00 0.43 -1.16 0.00 0.00 179.01 178.30 3k8n n SER 38 N -2.37 3.76 -4.76 1.42 7.64 -0.19 -4.82 113.62 114.29 3k8n n SER 38 Ca 0.00 -2.19 -0.39 0.00 1.01 0.00 0.00 58.87 57.30 3k8n n SER 38 Cb 0.16 -0.48 -0.04 0.00 -1.01 0.00 0.00 64.21 62.84 3k8n n SER 38 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3k8n s ALA 39 N -1.49 3.31 0.00 -0.43 0.00 -1.06 -3.38 121.76 118.71 3k8n s ALA 39 Ca 0.43 0.82 0.00 0.00 0.00 0.00 0.00 51.96 53.20 3k8n s ALA 39 Cb 0.25 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 20.07 3k8n s ALA 39 CO 0.25 -0.14 0.00 1.28 0.00 0.00 0.00 175.76 177.15 3k8n n LEU 40 N 0.88 0.00 -4.60 0.00 4.77 -1.26 -4.97 117.00 111.81 3k8n n LEU 40 Ca 0.00 0.00 -0.46 0.00 -0.03 0.00 0.00 56.01 55.53 3k8n n LEU 40 Cb 0.46 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.47 3k8n n LEU 40 CO 0.51 0.00 1.71 -0.38 -1.33 0.00 0.00 177.39 177.90 3k8n n ILE 41 N -2.00 0.45 -0.08 -0.08 2.08 -1.22 -1.00 119.36 117.52 3k8n n ILE 41 Ca 0.00 -0.28 0.00 0.00 0.56 0.00 0.00 62.75 63.03 3k8n n ILE 41 Cb 0.00 -2.17 0.00 0.00 -0.75 0.00 0.00 39.64 36.72 3k8n n ILE 41 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3k8n n GLY 42 N 5.35 0.84 3.29 7.39 0.00 0.17 -5.01 105.19 117.23 3k8n n GLY 42 Ca 0.28 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.15 3k8n n GLY 42 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k8n s LYS 43 N -0.92 1.19 0.40 1.61 -2.85 -0.17 -4.88 119.74 114.12 3k8n s LYS 43 Ca 0.00 -1.54 -0.26 0.00 -1.00 0.00 0.00 55.97 53.17 3k8n s LYS 43 Cb 0.00 -0.74 -0.09 0.00 -2.06 0.00 0.00 37.83 34.95 3k8n s LYS 43 CO 0.00 0.05 1.25 -1.25 0.10 0.00 0.00 175.35 175.50 3k8n s PRO 44 N -3.75 4.01 0.14 1.78 0.04 -1.26 -1.59 135.00 134.37 3k8n s PRO 44 Ca 0.21 2.02 -0.33 0.00 0.04 0.00 0.00 61.00 62.94 3k8n s PRO 44 Cb 0.03 -2.73 -0.17 0.00 0.04 0.00 0.00 34.50 31.67 3k8n s PRO 44 CO 0.04 -0.42 1.07 1.55 0.04 0.00 0.00 177.00 179.28 3k8n n VAL 45 N 0.12 0.87 -1.19 -0.36 3.14 0.00 -4.87 118.33 116.05 3k8n n VAL 45 Ca 0.04 -0.22 -0.36 0.00 -2.96 0.00 0.00 64.34 60.85 3k8n n VAL 45 Cb 0.45 -0.59 0.08 0.00 -1.06 0.00 0.00 33.84 32.72 3k8n n VAL 45 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 3k8n n PRO 46 N 1.63 0.21 -2.83 1.45 -0.02 -1.26 -4.94 135.00 129.23 3k8n n PRO 46 Ca 0.16 0.11 -0.38 0.00 -2.02 0.00 0.00 63.50 61.38 3k8n n PRO 46 Cb 0.22 -1.84 -0.06 0.00 -0.02 0.00 0.00 33.50 31.79 3k8n n PRO 46 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3k8n s LYS 47 N -2.91 4.62 0.32 -0.52 1.02 -1.26 -4.68 119.74 116.32 3k8n s LYS 47 Ca 0.64 1.30 -0.12 0.00 0.02 0.00 0.00 55.97 57.81 3k8n s LYS 47 Cb -0.33 -3.01 0.02 0.00 -0.52 0.00 0.00 37.83 34.00 3k8n s LYS 47 CO 0.59 0.40 0.60 -0.59 -0.92 0.00 0.00 175.35 175.43 3k8n s PHE 48 N -1.42 0.41 -0.17 3.18 -0.12 -1.26 -4.96 117.98 113.64 3k8n s PHE 48 Ca 0.45 -0.84 -0.04 0.00 -0.05 0.00 0.00 56.93 56.45 3k8n s PHE 48 Cb -0.21 0.37 0.08 0.00 -0.63 0.00 0.00 43.02 42.62 3k8n s PHE 48 CO 0.26 -1.23 0.20 0.50 -0.05 0.00 0.00 175.22 174.90 3k8n s ARG 49 N -3.27 0.14 0.01 1.99 3.52 -1.26 -3.84 118.95 116.24 3k8n s ARG 49 Ca 0.21 0.27 0.04 0.00 -0.13 0.00 0.00 55.73 56.13 3k8n s ARG 49 Cb -0.03 -1.03 -0.01 0.00 -1.56 0.00 0.00 34.95 32.32 3k8n s ARG 49 CO 0.13 -0.57 -0.13 -0.51 -0.81 0.00 0.00 175.30 173.41 3k8n s LEU 50 N 2.30 2.08 0.47 -0.88 1.43 -0.20 -4.93 118.68 118.96 3k8n s LEU 50 Ca 0.05 -0.32 -0.21 0.00 -1.03 0.00 0.00 54.13 52.63 3k8n s LEU 50 Cb -0.15 -0.61 -0.08 0.00 0.03 0.00 0.00 46.19 45.38 3k8n s LEU 50 CO -0.10 0.10 1.05 -0.70 0.23 0.00 0.00 176.35 176.93 3k8n s GLU 51 N -0.63 3.82 0.23 1.70 2.12 -1.26 -0.65 118.70 124.03 3k8n s GLU 51 Ca 0.03 1.43 -0.30 0.00 0.36 0.00 0.00 54.97 56.49 3k8n s GLU 51 Cb -0.06 -2.18 -0.09 0.00 0.26 0.00 0.00 34.13 32.07 3k8n s GLU 51 CO 0.00 -0.42 1.06 0.45 -0.54 0.00 0.00 175.26 175.81 3k8n s SER 52 N -1.86 7.36 0.13 -1.70 0.15 0.28 -0.81 113.70 117.25 3k8n s SER 52 Ca 0.66 2.11 -0.06 0.00 0.70 0.00 0.00 55.95 59.37 3k8n s SER 52 Cb -0.18 -2.61 -0.08 0.00 -1.71 0.00 0.00 66.02 61.43 3k8n s SER 52 CO 0.22 -0.10 1.32 0.25 1.20 0.00 0.00 173.24 176.13 3k8n h LEU 53 N 4.45 0.61 -0.15 3.45 5.85 -1.31 -3.34 115.31 124.88 3k8n h LEU 53 Ca -0.45 -0.46 -0.08 0.00 0.84 0.00 0.00 57.88 57.73 3k8n h LEU 53 Cb 1.21 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.05 3k8n h LEU 53 CO 0.69 1.24 -0.23 0.44 -0.34 0.00 0.00 178.44 180.24 3k8n h ASP 54 N 0.29 0.46 -3.20 1.25 5.19 -1.93 -3.41 116.42 115.08 3k8n h ASP 54 Ca -0.07 -0.53 -0.59 0.00 -0.62 0.00 0.00 57.03 55.22 3k8n h ASP 54 Cb 1.51 -0.13 -0.40 0.00 0.18 0.00 0.00 39.33 40.48 3k8n h ASP 54 CO 0.16 0.90 -0.75 0.54 -3.12 0.00 0.00 179.24 176.97 3k8n s ASN 55 N -6.29 4.07 0.61 6.45 6.03 -1.25 -5.12 114.94 119.44 3k8n s ASN 55 Ca -0.14 -1.66 -0.19 0.00 -1.03 0.00 0.00 52.86 49.84 3k8n s ASN 55 Cb 0.05 -0.93 -0.03 0.00 -3.03 0.00 0.00 41.25 37.31 3k8n s ASN 55 CO 0.78 -0.41 1.12 -2.65 -2.03 0.00 0.00 177.10 173.91 3k8n n PRO 56 N 4.80 1.05 0.00 3.55 -0.02 -1.25 -2.56 135.00 140.57 3k8n n PRO 56 Ca -0.02 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3k8n n PRO 56 Cb 0.42 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3k8n n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k8n n GLY 57 N 1.11 3.00 3.73 -1.23 0.00 -1.26 -5.02 105.19 105.51 3k8n n GLY 57 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 3k8n n GLY 57 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k8n s GLN 58 N -0.16 4.28 0.22 1.61 -0.21 -1.06 -5.00 119.66 119.33 3k8n s GLN 58 Ca 0.00 0.26 0.09 0.00 0.02 0.00 0.00 55.36 55.73 3k8n s GLN 58 Cb 0.00 -3.42 -0.04 0.00 1.00 0.00 0.00 33.01 30.55 3k8n s GLN 58 CO 0.00 0.22 -0.05 -0.06 -2.12 0.00 0.00 175.29 173.28 3k8n s PHE 59 N 0.47 2.67 0.07 0.91 0.40 -1.26 -0.55 117.98 120.68 3k8n s PHE 59 Ca 0.21 -0.22 -0.01 0.00 -0.60 0.00 0.00 56.93 56.31 3k8n s PHE 59 Cb -0.14 -1.24 -0.04 0.00 0.51 0.00 0.00 43.02 42.11 3k8n s PHE 59 CO 0.07 0.57 0.00 0.71 0.70 0.00 0.00 175.22 177.27 3k8n s TYR 60 N -2.00 0.61 0.21 0.36 1.51 0.18 -4.93 117.35 113.30 3k8n s TYR 60 Ca 0.28 -1.11 -0.01 0.00 -1.01 0.00 0.00 57.07 55.22 3k8n s TYR 60 Cb -0.08 -0.41 -0.04 0.00 -0.11 0.00 0.00 41.96 41.33 3k8n s TYR 60 CO 0.17 -0.43 0.17 -0.65 -1.11 0.00 0.00 175.55 173.71 3k8n s GLN 61 N -3.96 1.28 0.22 -0.62 -0.21 -1.26 -1.03 119.66 114.08 3k8n s GLN 61 Ca 0.12 -1.62 0.08 0.00 0.02 0.00 0.00 55.36 53.95 3k8n s GLN 61 Cb 0.08 0.29 0.70 0.00 1.00 0.00 0.00 33.01 35.08 3k8n s GLN 61 CO -0.07 -0.43 1.01 0.00 -2.12 0.00 0.00 175.29 173.68 3k8n n ALA 62 N -0.31 0.51 -0.40 6.09 0.00 -1.25 -0.66 120.51 124.49 3k8n n ALA 62 Ca 0.02 0.67 0.33 0.00 0.00 0.00 0.00 53.44 54.46 3k8n n ALA 62 Cb 0.65 -0.59 0.61 0.00 0.00 0.00 0.00 19.45 20.13 3k8n n ALA 62 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3k8n h ASP 63 N 0.00 0.29 0.02 0.00 2.03 -1.94 0.10 116.42 116.92 3k8n h ASP 63 Ca 0.48 0.11 -0.00 0.00 -0.73 0.00 0.00 57.03 56.89 3k8n h ASP 63 Cb 1.15 0.08 -0.00 0.00 -0.83 0.00 0.00 39.33 39.74 3k8n h ASP 63 CO -0.54 -0.09 -0.01 0.58 -1.03 0.00 0.00 179.24 178.15 3k8n h VAL 64 N 0.18 0.63 -0.69 4.15 2.07 -1.31 0.10 116.25 121.39 3k8n h VAL 64 Ca 0.74 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 68.23 3k8n h VAL 64 Cb 2.24 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 3k8n h VAL 64 CO -0.36 0.01 0.00 0.18 0.02 0.00 0.00 177.57 177.42 3k8n n LEU 65 N -3.99 4.64 -3.18 2.57 7.99 0.34 -4.64 117.00 120.73 3k8n n LEU 65 Ca -0.03 -2.34 -0.24 0.00 -0.01 0.00 0.00 56.01 53.39 3k8n n LEU 65 Cb 0.09 -0.57 -0.05 0.00 -0.11 0.00 0.00 43.42 42.78 3k8n n LEU 65 CO 0.29 0.87 -0.05 0.41 -1.51 0.00 0.00 177.39 177.39 3k8n n THR 66 N 1.31 1.34 -1.16 -5.08 -1.04 0.35 -3.80 114.28 106.19 3k8n n THR 66 Ca 0.26 -4.92 0.06 0.00 -2.04 0.00 0.00 64.05 57.41 3k8n n THR 66 Cb 0.84 -1.45 0.21 0.00 -1.82 0.00 0.00 70.33 68.11 3k8n n THR 66 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3k8n n GLN 67 N 0.52 2.10 -0.57 -2.82 1.13 -0.94 -4.80 117.38 111.99 3k8n n GLN 67 Ca 0.27 -2.87 0.00 0.00 -1.94 0.00 0.00 57.00 52.46 3k8n n GLN 67 Cb 0.49 -1.72 0.00 0.00 0.11 0.00 0.00 30.24 29.12 3k8n n GLN 67 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3k8n n GLY 68 N -0.97 1.14 3.07 1.08 0.00 0.21 -4.97 105.19 104.75 3k8n n GLY 68 Ca 0.22 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 3k8n n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k8n s LYS 69 N -0.21 0.55 0.67 1.61 1.02 -1.26 -4.69 119.74 117.43 3k8n s LYS 69 Ca 0.00 -0.78 -0.16 0.00 0.02 0.00 0.00 55.97 55.04 3k8n s LYS 69 Cb 0.00 -0.31 0.01 0.00 -0.52 0.00 0.00 37.83 37.00 3k8n s LYS 69 CO 0.00 0.05 1.18 -1.25 -0.92 0.00 0.00 175.35 174.42 3k8n s PRO 70 N -1.66 2.56 0.05 -1.68 0.04 -1.26 -3.91 135.00 129.14 3k8n s PRO 70 Ca -0.09 1.70 -0.05 0.00 0.04 0.00 0.00 61.00 62.59 3k8n s PRO 70 Cb -0.10 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 3k8n s PRO 70 CO 0.00 -1.50 0.09 0.54 0.04 0.00 0.00 177.00 176.18 3k8n s VAL 71 N -1.94 0.15 -0.10 -0.36 0.11 -0.37 -4.68 120.40 113.20 3k8n s VAL 71 Ca 0.74 -1.20 -0.03 0.00 -2.93 0.00 0.00 61.98 58.55 3k8n s VAL 71 Cb -0.27 -1.05 -0.03 0.00 -1.53 0.00 0.00 36.38 33.49 3k8n s VAL 71 CO 0.40 -0.66 0.04 -0.76 -3.33 0.00 0.00 175.10 170.79 3k8n s LEU 72 N -2.35 3.78 -0.15 2.54 1.02 0.36 -1.61 118.68 122.27 3k8n s LEU 72 Ca -0.02 0.22 0.00 0.00 0.02 0.00 0.00 54.13 54.36 3k8n s LEU 72 Cb 0.01 -1.88 -0.00 0.00 0.02 0.00 0.00 46.19 44.33 3k8n s LEU 72 CO -0.06 0.38 -0.15 -0.22 0.02 0.00 0.00 176.35 176.31 3k8n s LEU 73 N -0.87 2.49 -0.25 1.79 2.96 0.21 -1.24 118.68 123.77 3k8n s LEU 73 Ca 0.13 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 53.60 3k8n s LEU 73 Cb -0.12 -1.56 0.06 0.00 0.50 0.00 0.00 46.19 45.08 3k8n s LEU 73 CO 0.03 0.10 -0.06 0.21 -1.32 0.00 0.00 176.35 175.30 3k8n s ASN 74 N 0.75 4.13 -0.14 3.68 3.84 -0.76 -0.37 114.94 126.07 3k8n s ASN 74 Ca -0.06 -1.33 -0.29 0.00 0.21 0.00 0.00 52.86 51.38 3k8n s ASN 74 Cb -0.15 -1.33 -0.02 0.00 -0.55 0.00 0.00 41.25 39.20 3k8n s ASN 74 CO 0.01 -0.23 1.24 -0.69 -2.79 0.00 0.00 177.10 174.64 3k8n s VAL 75 N 1.26 4.28 0.08 -5.21 1.01 0.10 -1.37 120.40 120.55 3k8n s VAL 75 Ca -0.06 1.56 -0.10 0.00 0.00 0.00 0.00 61.98 63.38 3k8n s VAL 75 Cb -0.19 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.19 3k8n s VAL 75 CO -0.06 -0.10 0.23 -1.66 0.00 0.00 0.00 175.10 173.51 3k8n s TRP 76 N 3.13 0.05 0.10 5.22 1.48 -1.07 -2.75 118.94 125.11 3k8n s TRP 76 Ca 0.55 -0.39 -0.25 0.00 -1.06 0.00 0.00 56.10 54.94 3k8n s TRP 76 Cb -0.22 0.01 0.08 0.00 -1.16 0.00 0.00 33.47 32.18 3k8n s TRP 76 CO 0.17 -0.54 0.70 0.00 -4.06 0.00 0.00 176.95 173.21 3k8n s ALA 77 N -3.46 -1.68 0.36 2.67 0.00 -1.26 -0.96 121.76 117.42 3k8n s ALA 77 Ca 0.02 0.68 0.26 0.00 0.00 0.00 0.00 51.96 52.92 3k8n s ALA 77 Cb 0.03 0.71 1.30 0.00 0.00 0.00 0.00 23.12 25.16 3k8n s ALA 77 CO -0.09 -0.73 2.01 1.79 0.00 0.00 0.00 175.76 178.74 3k8n h THR 78 N 2.02 0.61 -0.04 0.00 1.35 -1.93 -1.85 112.91 113.07 3k8n h THR 78 Ca -0.30 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 64.87 3k8n h THR 78 Cb 1.28 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 3k8n h THR 78 CO 0.36 0.15 0.00 -2.67 -0.25 0.00 0.00 175.52 173.11 3k8n n TRP 79 N -3.63 0.04 -3.20 4.73 4.27 -1.26 -4.84 117.44 113.56 3k8n n TRP 79 Ca -0.01 -0.02 -0.41 0.00 -3.89 0.00 0.00 57.50 53.17 3k8n n TRP 79 Cb 0.28 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.16 3k8n n TRP 79 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3k8n h PRO 81 N 8.22 0.09 -0.38 0.00 0.11 -1.88 -2.82 132.00 135.34 3k8n h PRO 81 Ca -0.28 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3k8n h PRO 81 Cb 1.13 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3k8n h PRO 81 CO 0.76 0.63 0.00 0.25 -0.21 0.00 0.00 178.00 179.43 3k8n n THR 82 N -3.87 0.49 -0.12 -1.15 -2.24 -1.26 -4.59 114.28 101.54 3k8n n THR 82 Ca -0.02 -0.68 -0.13 0.00 -2.27 0.00 0.00 64.05 60.95 3k8n n THR 82 Cb 0.58 0.79 -0.02 0.00 -2.10 0.00 0.00 70.33 69.58 3k8n n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k8n h ARG 84 N 0.70 0.93 -0.04 0.00 3.08 -1.81 -2.61 114.38 114.62 3k8n h ARG 84 Ca 0.07 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.07 3k8n h ARG 84 Cb 0.90 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.74 3k8n h ARG 84 CO 0.08 0.61 0.07 0.00 -1.07 0.00 0.00 179.97 179.66 3k8n h ALA 85 N 1.37 1.42 -0.02 0.04 0.00 -1.78 -2.22 119.26 118.07 3k8n h ALA 85 Ca 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3k8n h ALA 85 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3k8n h ALA 85 CO -0.15 -0.09 -0.28 -0.85 0.00 0.00 0.00 179.25 177.88 3k8n n GLU 86 N -3.54 1.62 -0.07 0.00 0.28 -0.99 -4.66 120.64 113.28 3k8n n GLU 86 Ca -0.02 -1.30 -0.10 0.00 -0.16 0.00 0.00 57.16 55.58 3k8n n GLU 86 Cb 0.15 -1.43 0.04 0.00 1.43 0.00 0.00 31.44 31.63 3k8n n GLU 86 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 3k8n h HIS 87 N 3.11 0.92 -0.00 -1.84 2.76 -1.32 -2.38 115.15 116.40 3k8n h HIS 87 Ca 0.00 -0.27 -0.16 0.00 -2.20 0.00 0.00 60.37 57.74 3k8n h HIS 87 Cb 0.80 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.54 3k8n h HIS 87 CO 0.00 1.04 -0.75 -0.56 -1.30 0.00 0.00 177.93 176.36 3k8n h GLN 88 N 0.63 0.02 0.00 5.26 3.07 -1.83 -0.65 115.11 121.62 3k8n h GLN 88 Ca 0.05 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.77 3k8n h GLN 88 Cb 0.94 0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.51 3k8n h GLN 88 CO 0.09 0.76 0.00 -0.92 0.09 0.00 0.00 178.83 178.85 3k8n h TYR 89 N 0.01 0.00 -0.13 0.06 3.20 -1.86 -1.16 116.97 117.09 3k8n h TYR 89 Ca -0.01 0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.67 3k8n h TYR 89 Cb 1.33 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.61 3k8n h TYR 89 CO 0.00 0.00 -0.68 1.25 -1.64 0.00 0.00 178.16 177.10 3k8n h LEU 90 N 0.00 0.82 -0.64 2.82 5.85 -0.65 -2.19 115.31 121.32 3k8n h LEU 90 Ca 0.00 -0.64 0.01 0.00 0.84 0.00 0.00 57.88 58.09 3k8n h LEU 90 Cb 0.68 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 3k8n h LEU 90 CO 0.00 1.33 0.42 0.78 -0.34 0.00 0.00 178.44 180.63 3k8n h ASN 91 N 0.37 0.74 -0.50 1.25 -0.26 -0.96 -1.47 115.58 114.75 3k8n h ASN 91 Ca -0.05 -0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 55.67 3k8n h ASN 91 Cb 1.31 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 38.37 3k8n h ASN 91 CO 0.14 0.54 0.30 1.56 -1.06 0.00 0.00 177.43 178.90 3k8n h GLN 92 N 0.87 0.69 -0.53 0.81 4.20 -1.06 -0.37 115.11 119.71 3k8n h GLN 92 Ca 0.23 -0.07 -0.11 0.00 0.06 0.00 0.00 58.65 58.76 3k8n h GLN 92 Cb -0.10 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.52 3k8n h GLN 92 CO -0.05 0.51 -0.11 -0.07 -0.67 0.00 0.00 178.83 178.44 3k8n h LEU 93 N 0.67 1.01 -1.47 1.46 3.38 -1.33 -2.83 115.31 116.21 3k8n h LEU 93 Ca 0.18 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 3k8n h LEU 93 Cb 0.00 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 3k8n h LEU 93 CO -0.03 1.13 0.01 -1.28 0.09 0.00 0.00 178.44 178.35 3k8n h SER 94 N 0.90 0.32 1.69 -0.43 0.87 -0.57 -1.28 113.55 115.04 3k8n h SER 94 Ca 0.14 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 3k8n h SER 94 Cb 0.68 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 3k8n h SER 94 CO 0.05 0.37 0.00 0.00 -0.53 0.00 0.00 176.83 176.72 3k8n h ALA 95 N 1.67 1.00 -0.63 6.23 0.00 -0.85 -2.99 119.26 123.69 3k8n h ALA 95 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3k8n h ALA 95 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3k8n h ALA 95 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.29 3k8n n GLN 96 N -2.71 3.59 -0.56 0.00 6.02 -0.54 -4.92 117.38 118.24 3k8n n GLN 96 Ca 0.04 -2.73 0.00 0.00 -0.01 0.00 0.00 57.00 54.30 3k8n n GLN 96 Cb 0.47 -1.86 0.00 0.00 1.02 0.00 0.00 30.24 29.86 3k8n n GLN 96 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3k8n n GLY 97 N 1.14 0.74 3.67 1.08 0.00 -1.13 -5.03 105.19 105.66 3k8n n GLY 97 Ca 0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 3k8n n GLY 97 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k8n s ILE 98 N -2.36 4.21 -0.07 -0.61 -1.09 -0.84 -4.98 121.20 115.45 3k8n s ILE 98 Ca 0.00 1.50 -0.27 0.00 -2.23 0.00 0.00 60.65 59.65 3k8n s ILE 98 Cb 0.00 -3.97 -0.03 0.00 -1.58 0.00 0.00 42.46 36.89 3k8n s ILE 98 CO 0.00 -0.07 0.86 -0.60 -1.23 0.00 0.00 174.94 173.90 3k8n s ARG 99 N 2.93 4.45 -0.05 2.79 6.06 -1.26 -4.15 118.95 129.73 3k8n s ARG 99 Ca 0.56 1.16 -0.00 0.00 -2.50 0.00 0.00 55.73 54.95 3k8n s ARG 99 Cb -0.24 -3.49 0.03 0.00 0.06 0.00 0.00 34.95 31.31 3k8n s ARG 99 CO 0.19 -0.10 -0.00 0.08 -2.50 0.00 0.00 175.30 172.96 3k8n s VAL 100 N 1.30 0.31 -0.15 7.11 1.01 -1.26 -0.48 120.40 128.24 3k8n s VAL 100 Ca 0.44 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.46 3k8n s VAL 100 Cb -0.19 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.74 3k8n s VAL 100 CO 0.20 0.21 -0.04 -0.69 0.00 0.00 0.00 175.10 174.78 3k8n s VAL 101 N 1.43 3.89 0.27 2.92 1.01 -0.37 -0.92 120.40 128.62 3k8n s VAL 101 Ca -0.04 -0.36 -0.29 0.00 0.00 0.00 0.00 61.98 61.29 3k8n s VAL 101 Cb -0.13 -2.70 -0.09 0.00 0.00 0.00 0.00 36.38 33.46 3k8n s VAL 101 CO -0.03 0.50 1.10 -0.83 0.00 0.00 0.00 175.10 175.85 3k8n s GLY 102 N 0.28 3.04 -0.65 4.51 0.00 0.29 -1.82 107.32 112.96 3k8n s GLY 102 Ca -0.03 0.89 0.06 0.00 0.00 0.00 0.00 44.72 45.64 3k8n s GLY 102 CO 0.03 1.52 0.65 -0.13 0.00 0.00 0.00 173.10 175.17 3k8n n MET 103 N 1.33 2.19 -1.56 2.90 1.56 -0.47 -0.51 117.12 122.56 3k8n n MET 103 Ca -0.01 -4.53 -0.43 0.00 -0.27 0.00 0.00 57.70 52.47 3k8n n MET 103 Cb 0.45 -2.21 -0.04 0.00 2.15 0.00 0.00 33.22 33.56 3k8n n MET 103 CO 0.00 0.00 0.00 -1.71 -0.73 0.00 0.00 175.97 173.53 3k8n n ASN 104 N 1.27 2.73 -4.58 6.12 4.05 -0.78 -2.59 115.26 121.48 3k8n n ASN 104 Ca 0.26 0.05 -0.40 0.00 0.45 0.00 0.00 54.58 54.95 3k8n n ASN 104 Cb 0.40 -1.49 -0.09 0.00 1.23 0.00 0.00 39.78 39.82 3k8n n ASN 104 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 3k8n s TYR 105 N 9.20 3.23 -1.32 1.20 5.04 -0.14 -1.82 117.35 132.74 3k8n s TYR 105 Ca 1.03 0.27 -0.07 0.00 -2.44 0.00 0.00 57.07 55.85 3k8n s TYR 105 Cb -0.41 -2.62 0.01 0.00 0.35 0.00 0.00 41.96 39.28 3k8n s TYR 105 CO 0.36 -0.31 0.14 1.63 -1.34 0.00 0.00 175.55 176.03 3k8n n LYS 106 N 5.38 -0.79 -3.74 4.97 5.02 -0.73 -4.73 118.16 123.54 3k8n n LYS 106 Ca -0.08 0.06 -0.25 0.00 -2.02 0.00 0.00 58.31 56.01 3k8n n LYS 106 Cb 0.50 -2.94 0.00 0.00 -0.02 0.00 0.00 35.03 32.57 3k8n n LYS 106 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3k8n n ASP 107 N -2.38 2.69 -4.60 4.39 2.03 -1.26 -5.00 116.55 112.42 3k8n n ASP 107 Ca -0.25 -2.83 -0.39 0.00 0.52 0.00 0.00 54.79 51.84 3k8n n ASP 107 Cb 0.60 -0.05 -0.09 0.00 -0.72 0.00 0.00 41.12 40.85 3k8n n ASP 107 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3k8n s ASP 108 N -4.15 6.25 0.19 1.67 2.15 -1.26 -4.85 116.67 116.66 3k8n s ASP 108 Ca 0.31 0.24 -0.19 0.00 0.43 0.00 0.00 52.55 53.35 3k8n s ASP 108 Cb -0.02 -2.21 0.14 0.00 -0.30 0.00 0.00 42.92 40.53 3k8n s ASP 108 CO 0.20 -0.20 1.61 -0.09 -0.17 0.00 0.00 175.17 176.52 3k8n h ARG 109 N 8.20 -0.12 -0.55 4.34 2.43 -1.99 -0.76 114.38 125.93 3k8n h ARG 109 Ca -0.31 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 58.79 3k8n h ARG 109 Cb 1.16 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 3k8n h ARG 109 CO 0.65 -0.08 0.04 0.37 -1.51 0.00 0.00 179.97 179.44 3k8n h GLN 110 N -0.13 0.95 -0.40 0.20 -0.00 -1.99 -1.69 115.11 112.04 3k8n h GLN 110 Ca 0.24 -0.28 0.02 0.00 -0.00 0.00 0.00 58.65 58.63 3k8n h GLN 110 Cb 0.51 -0.10 -0.03 0.00 0.00 0.00 0.00 27.48 27.86 3k8n h GLN 110 CO -0.61 0.94 0.22 0.87 0.00 0.00 0.00 178.83 180.25 3k8n h LYS 111 N 0.83 0.43 -0.68 1.69 1.57 -1.81 -0.81 116.57 117.79 3k8n h LYS 111 Ca 0.16 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.94 3k8n h LYS 111 Cb 0.49 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.66 3k8n h LYS 111 CO 0.02 0.28 0.43 0.00 -0.57 0.00 0.00 179.45 179.61 3k8n h ALA 112 N 1.19 0.89 -0.08 3.86 0.00 -0.76 0.13 119.26 124.49 3k8n h ALA 112 Ca 0.16 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3k8n h ALA 112 Cb 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3k8n h ALA 112 CO -0.09 0.20 -0.00 0.82 0.00 0.00 0.00 179.25 180.17 3k8n h ILE 113 N 0.84 0.94 -0.69 0.00 1.08 -1.02 -1.29 117.51 117.37 3k8n h ILE 113 Ca 0.27 -0.01 0.02 0.00 -0.39 0.00 0.00 64.86 64.75 3k8n h ILE 113 Cb 0.01 0.91 -0.04 0.00 -3.07 0.00 0.00 36.82 34.63 3k8n h ILE 113 CO -0.10 0.00 0.44 -1.28 -0.69 0.00 0.00 178.15 176.53 3k8n h SER 114 N 0.03 0.75 0.05 1.72 0.87 -0.60 -2.41 113.55 113.96 3k8n h SER 114 Ca 0.04 -0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.60 3k8n h SER 114 Cb 0.05 -0.17 -0.05 0.00 -0.44 0.00 0.00 62.40 61.78 3k8n h SER 114 CO -0.07 0.53 -0.48 -0.25 -0.53 0.00 0.00 176.83 176.04 3k8n h TRP 115 N 0.89 -1.39 -0.16 2.24 7.01 -0.43 -1.92 115.95 122.18 3k8n h TRP 115 Ca 0.26 0.04 0.05 0.00 2.11 0.00 0.00 58.89 61.35 3k8n h TRP 115 Cb -0.04 0.60 -0.01 0.00 -2.10 0.00 0.00 29.16 27.61 3k8n h TRP 115 CO -0.03 -0.52 0.13 -0.07 -2.79 0.00 0.00 178.44 175.15 3k8n h LEU 116 N -0.63 0.00 -0.15 0.65 3.38 -0.97 -2.37 115.31 115.21 3k8n h LEU 116 Ca 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 3k8n h LEU 116 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3k8n h LEU 116 CO -0.29 0.00 -0.36 0.50 0.09 0.00 0.00 178.44 178.37 3k8n h LYS 117 N 0.00 0.51 0.03 1.13 3.64 -0.96 0.41 116.57 121.34 3k8n h LYS 117 Ca 0.08 -0.35 -0.22 0.00 -1.27 0.00 0.00 60.65 58.88 3k8n h LYS 117 Cb 0.33 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3k8n h LYS 117 CO -0.00 0.96 -0.99 1.05 -2.27 0.00 0.00 179.45 178.21 3k8n h GLU 118 N 0.14 0.27 0.00 1.90 4.11 -0.94 -3.35 114.58 116.70 3k8n h GLU 118 Ca -0.00 -0.33 0.00 0.00 0.07 0.00 0.00 59.36 59.10 3k8n h GLU 118 Cb 0.97 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3k8n h GLU 118 CO 0.08 1.06 -1.02 1.28 0.07 0.00 0.00 179.01 180.48 3k8n n LEU 119 N -3.64 0.92 0.00 3.06 4.77 -0.93 -5.08 117.00 116.09 3k8n n LEU 119 Ca -0.05 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 3k8n n LEU 119 Cb 0.87 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.96 3k8n n LEU 119 CO 0.50 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 3k8n n GLY 120 N 1.47 2.36 3.11 -0.72 0.00 0.13 -4.90 105.19 106.64 3k8n n GLY 120 Ca 0.03 -1.82 -0.36 0.00 0.00 0.00 0.00 46.02 43.87 3k8n n GLY 120 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3k8n s ASN 121 N 0.00 5.23 0.12 1.61 3.84 -1.21 -4.61 114.94 119.92 3k8n s ASN 121 Ca 0.00 -2.35 0.23 0.00 0.21 0.00 0.00 52.86 50.94 3k8n s ASN 121 Cb 0.00 -1.83 0.90 0.00 -0.55 0.00 0.00 41.25 39.76 3k8n s ASN 121 CO 0.00 -0.47 1.70 -2.65 -2.79 0.00 0.00 177.10 172.89 3k8n n PRO 122 N 4.16 0.11 -3.69 0.43 -0.02 -1.26 -4.92 135.00 129.81 3k8n n PRO 122 Ca 0.02 0.24 -0.34 0.00 -2.02 0.00 0.00 63.50 61.40 3k8n n PRO 122 Cb 0.40 -1.68 -0.05 0.00 -0.02 0.00 0.00 33.50 32.15 3k8n n PRO 122 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3k8n s TYR 123 N -3.12 3.56 0.18 6.00 2.02 -1.26 -4.66 117.35 120.07 3k8n s TYR 123 Ca 0.08 0.64 -0.15 0.00 -0.37 0.00 0.00 57.07 57.27 3k8n s TYR 123 Cb 0.12 -2.04 0.15 0.00 -0.40 0.00 0.00 41.96 39.79 3k8n s TYR 123 CO 0.43 0.55 1.66 0.00 -1.57 0.00 0.00 175.55 176.62 3k8n h ALA 124 N 3.68 0.36 -2.25 3.71 0.00 -1.39 -3.46 119.26 119.91 3k8n h ALA 124 Ca -0.49 0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.67 3k8n h ALA 124 Cb 1.19 0.32 -0.16 0.00 0.00 0.00 0.00 17.79 19.14 3k8n h ALA 124 CO 0.68 -0.43 0.45 -0.48 0.00 0.00 0.00 179.25 179.46 3k8n s LEU 125 N -10.65 -0.41 -0.18 0.00 2.34 -1.26 -5.05 118.68 103.46 3k8n s LEU 125 Ca -0.14 0.10 -0.06 0.00 0.06 0.00 0.00 54.13 54.10 3k8n s LEU 125 Cb 0.16 2.11 -0.03 0.00 -0.56 0.00 0.00 46.19 47.86 3k8n s LEU 125 CO 0.72 -0.62 0.01 -0.44 -1.06 0.00 0.00 176.35 174.96 3k8n s SER 126 N -2.24 5.11 0.08 1.48 0.01 -1.26 0.10 113.70 116.99 3k8n s SER 126 Ca 0.02 -0.08 -0.30 0.00 1.31 0.00 0.00 55.95 56.90 3k8n s SER 126 Cb -0.01 -1.86 -0.06 0.00 0.21 0.00 0.00 66.02 64.30 3k8n s SER 126 CO -0.07 0.13 1.16 -0.76 0.41 0.00 0.00 173.24 174.11 3k8n s LEU 127 N 0.63 4.39 -1.21 2.44 1.43 0.33 -0.86 118.68 125.84 3k8n s LEU 127 Ca 0.00 2.01 -0.14 0.00 -1.03 0.00 0.00 54.13 54.97 3k8n s LEU 127 Cb -0.14 -3.58 0.16 0.00 0.03 0.00 0.00 46.19 42.66 3k8n s LEU 127 CO 0.02 -0.40 1.45 0.12 0.23 0.00 0.00 176.35 177.77 3k8n s PHE 128 N 0.78 3.41 -0.57 0.29 5.36 0.01 -1.86 117.98 125.39 3k8n s PHE 128 Ca 0.56 -2.05 -0.07 0.00 -0.96 0.00 0.00 56.93 54.41 3k8n s PHE 128 Cb -0.29 -4.36 -0.19 0.00 -0.34 0.00 0.00 43.02 37.84 3k8n s PHE 128 CO 0.30 -1.45 3.17 -3.47 -1.46 0.00 0.00 175.22 172.31 3k8n n ASP 129 N 5.99 6.07 0.06 6.13 4.64 -0.75 -4.62 116.55 134.06 3k8n n ASP 129 Ca 0.37 -2.45 0.08 0.00 -1.38 0.00 0.00 54.79 51.42 3k8n n ASP 129 Cb 0.43 -1.37 0.35 0.00 -1.04 0.00 0.00 41.12 39.49 3k8n n ASP 129 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3k8n n GLY 130 N 2.95 -1.01 0.10 0.27 0.00 -1.26 -0.91 105.19 105.32 3k8n n GLY 130 Ca 0.52 0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.64 3k8n n GLY 130 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3k8n n ASP 131 N -1.81 0.75 0.00 1.61 5.68 -1.26 -4.53 116.55 116.99 3k8n n ASP 131 Ca 0.02 0.30 0.00 0.00 -0.50 0.00 0.00 54.79 54.61 3k8n n ASP 131 Cb 0.15 0.53 0.00 0.00 -1.14 0.00 0.00 41.12 40.66 3k8n n ASP 131 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3k8n n GLY 132 N 1.27 0.72 0.06 6.12 0.00 -0.09 -4.93 105.19 108.33 3k8n n GLY 132 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 3k8n n GLY 132 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3k8n h MET 133 N 2.13 0.06 -0.26 1.61 2.86 -1.94 -2.02 114.93 117.39 3k8n h MET 133 Ca 0.00 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 3k8n h MET 133 Cb 0.00 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 3k8n h MET 133 CO 0.00 0.13 0.06 1.25 1.06 0.00 0.00 176.91 179.41 3k8n h LEU 134 N -0.02 0.39 -0.46 1.22 5.85 -1.92 -0.03 115.31 120.34 3k8n h LEU 134 Ca 0.02 -0.23 0.09 0.00 0.84 0.00 0.00 57.88 58.60 3k8n h LEU 134 Cb 0.09 -0.10 -0.10 0.00 0.37 0.00 0.00 40.66 40.92 3k8n h LEU 134 CO -0.00 0.52 -0.22 1.23 -0.34 0.00 0.00 178.44 179.63 3k8n h GLY 135 N 0.24 0.10 0.57 3.75 0.00 -1.91 -0.19 103.07 105.63 3k8n h GLY 135 Ca 0.08 0.28 0.08 0.00 0.00 0.00 0.00 47.33 47.77 3k8n h GLY 135 CO 0.00 -0.21 0.45 -2.00 0.00 0.00 0.00 176.54 174.78 3k8n h LEU 136 N -0.12 0.65 -1.57 3.11 6.46 -0.92 0.21 115.31 123.13 3k8n h LEU 136 Ca 0.22 0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.98 3k8n h LEU 136 Cb 0.46 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 3k8n h LEU 136 CO -0.53 0.39 -0.09 0.44 -0.62 0.00 0.00 178.44 178.02 3k8n h ASP 137 N 0.78 0.15 0.03 1.25 3.32 -0.10 -2.87 116.42 118.98 3k8n h ASP 137 Ca 0.37 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.40 3k8n h ASP 137 Cb 0.31 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3k8n h ASP 137 CO -0.23 0.27 -0.03 0.18 -1.72 0.00 0.00 179.24 177.71 3k8n n LEU 138 N -4.35 1.17 -0.16 1.55 4.77 0.60 -4.88 117.00 115.70 3k8n n LEU 138 Ca -0.01 -0.38 -0.02 0.00 -0.03 0.00 0.00 56.01 55.57 3k8n n LEU 138 Cb 0.22 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.28 3k8n n LEU 138 CO 0.37 0.20 -0.02 0.61 -1.33 0.00 0.00 177.39 177.21 3k8n n GLY 139 N 1.17 0.46 3.73 -0.72 0.00 -0.75 -4.95 105.19 104.13 3k8n n GLY 139 Ca 0.19 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 3k8n n GLY 139 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k8n s VAL 140 N -2.08 4.74 -0.17 1.61 1.01 -0.34 -4.96 120.40 120.22 3k8n s VAL 140 Ca 0.00 1.88 -0.00 0.00 0.00 0.00 0.00 61.98 63.85 3k8n s VAL 140 Cb 0.00 -4.23 0.04 0.00 0.00 0.00 0.00 36.38 32.19 3k8n s VAL 140 CO 0.00 0.27 -0.07 -0.47 0.00 0.00 0.00 175.10 174.84 3k8n s TYR 141 N 0.40 1.82 0.36 5.22 5.04 -1.26 -4.51 117.35 124.41 3k8n s TYR 141 Ca 0.45 -1.14 0.00 0.00 -2.44 0.00 0.00 57.07 53.94 3k8n s TYR 141 Cb -0.21 -1.37 0.00 0.00 0.35 0.00 0.00 41.96 40.73 3k8n s TYR 141 CO 0.26 -0.63 0.00 0.41 -1.34 0.00 0.00 175.55 174.25 3k8n n GLY 142 N 4.85 -1.98 3.74 8.97 0.00 -1.26 -5.03 105.19 114.47 3k8n n GLY 142 Ca -0.13 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 44.69 3k8n n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k8n s ALA 143 N -2.41 -0.38 0.81 4.61 0.00 -1.26 -4.74 121.76 118.39 3k8n s ALA 143 Ca 0.00 -0.94 -0.12 0.00 0.00 0.00 0.00 51.96 50.90 3k8n s ALA 143 Cb 0.00 0.78 0.08 0.00 0.00 0.00 0.00 23.12 23.97 3k8n s ALA 143 CO 0.00 -0.94 1.12 -1.25 0.00 0.00 0.00 175.76 174.69 3k8n s PRO 144 N -2.40 2.01 -0.02 0.00 0.05 -1.26 -4.74 135.00 128.64 3k8n s PRO 144 Ca 0.19 0.43 -0.14 0.00 0.05 0.00 0.00 61.00 61.53 3k8n s PRO 144 Cb -0.04 -1.93 0.02 0.00 0.05 0.00 0.00 34.50 32.60 3k8n s PRO 144 CO 0.14 -1.63 0.30 -2.00 0.05 0.00 0.00 177.00 173.86 3k8n s GLU 145 N -5.30 0.64 -0.09 4.56 2.12 -1.11 -2.47 118.70 117.05 3k8n s GLU 145 Ca 0.61 -0.17 0.00 0.00 0.36 0.00 0.00 54.97 55.77 3k8n s GLU 145 Cb -0.13 0.28 0.02 0.00 0.26 0.00 0.00 34.13 34.56 3k8n s GLU 145 CO 0.53 -0.17 -0.08 0.99 -0.54 0.00 0.00 175.26 175.99 3k8n s THR 146 N -1.24 0.93 0.03 -1.70 2.01 -0.56 0.03 115.64 115.14 3k8n s THR 146 Ca -0.13 -0.27 0.00 0.00 0.31 0.00 0.00 61.69 61.61 3k8n s THR 146 Cb -0.05 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.48 3k8n s THR 146 CO 0.04 0.34 0.11 -0.36 -0.69 0.00 0.00 174.62 174.06 3k8n s PHE 147 N 1.40 3.32 -0.29 4.92 0.40 0.50 -1.44 117.98 126.80 3k8n s PHE 147 Ca -0.01 0.19 -0.10 0.00 -0.60 0.00 0.00 56.93 56.41 3k8n s PHE 147 Cb -0.13 -1.72 -0.03 0.00 0.51 0.00 0.00 43.02 41.65 3k8n s PHE 147 CO -0.04 0.56 0.15 -1.17 0.70 0.00 0.00 175.22 175.42 3k8n s LEU 148 N -2.07 3.97 -0.12 -0.37 2.96 -0.06 -0.62 118.68 122.37 3k8n s LEU 148 Ca 0.27 -0.29 -0.01 0.00 -0.22 0.00 0.00 54.13 53.88 3k8n s LEU 148 Cb -0.12 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 3k8n s LEU 148 CO 0.19 -0.12 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.40 3k8n s ILE 149 N 1.67 3.65 0.74 6.68 1.01 -0.63 -0.76 121.20 133.55 3k8n s ILE 149 Ca 0.06 -0.46 -0.12 0.00 0.00 0.00 0.00 60.65 60.12 3k8n s ILE 149 Cb -0.16 -2.55 0.18 0.00 0.01 0.00 0.00 42.46 39.93 3k8n s ILE 149 CO 0.07 0.53 0.85 -0.90 0.00 0.00 0.00 174.94 175.50 3k8n n ASP 150 N 3.11 -0.62 0.27 3.58 5.68 0.59 -1.24 116.55 127.92 3k8n n ASP 150 Ca -0.18 -1.19 0.14 0.00 -0.50 0.00 0.00 54.79 53.07 3k8n n ASP 150 Cb 0.53 -0.70 0.74 0.00 -1.14 0.00 0.00 41.12 40.55 3k8n n ASP 150 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3k8n h GLY 151 N -1.51 0.00 -1.87 6.12 0.00 -1.83 -2.34 103.07 101.64 3k8n h GLY 151 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3k8n h GLY 151 CO 0.20 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.44 3k8n n ASN 152 N -3.42 2.76 0.00 0.19 5.03 -1.26 -0.62 115.26 117.94 3k8n n ASN 152 Ca -0.01 -2.18 0.00 0.00 0.87 0.00 0.00 54.58 53.26 3k8n n ASN 152 Cb 0.26 -0.39 0.00 0.00 -1.02 0.00 0.00 39.78 38.63 3k8n n ASN 152 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3k8n n GLY 153 N 0.91 0.63 3.71 7.41 0.00 -0.88 -4.93 105.19 112.04 3k8n n GLY 153 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3k8n n GLY 153 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k8n s ILE 154 N -2.55 4.97 -0.14 -0.61 1.09 -1.26 -0.82 121.20 121.88 3k8n s ILE 154 Ca 0.00 1.67 -0.29 0.00 -1.10 0.00 0.00 60.65 60.93 3k8n s ILE 154 Cb 0.00 -4.14 -0.01 0.00 -1.06 0.00 0.00 42.46 37.25 3k8n s ILE 154 CO 0.00 0.20 1.01 -0.63 -0.10 0.00 0.00 174.94 175.42 3k8n s ILE 155 N 0.99 4.76 -0.10 2.92 1.01 -0.62 -0.30 121.20 129.87 3k8n s ILE 155 Ca 0.42 2.02 0.04 0.00 0.00 0.00 0.00 60.65 63.13 3k8n s ILE 155 Cb -0.19 -4.30 -0.05 0.00 0.01 0.00 0.00 42.46 37.93 3k8n s ILE 155 CO 0.21 -0.04 0.13 0.54 0.00 0.00 0.00 174.94 175.77 3k8n n ARG 156 N 5.35 3.25 -3.57 2.79 5.12 0.06 0.41 116.66 130.08 3k8n n ARG 156 Ca 0.09 -0.02 -0.09 0.00 -1.93 0.00 0.00 57.85 55.91 3k8n n ARG 156 Cb 0.48 -0.86 -0.04 0.00 -1.16 0.00 0.00 32.46 30.88 3k8n n ARG 156 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 3k8n s TYR 157 N -1.76 -0.32 -0.24 -1.55 5.04 -1.16 -4.88 117.35 112.47 3k8n s TYR 157 Ca 0.00 0.45 -0.08 0.00 -2.44 0.00 0.00 57.07 55.00 3k8n s TYR 157 Cb 0.03 0.48 0.11 0.00 0.35 0.00 0.00 41.96 42.93 3k8n s TYR 157 CO 0.16 -0.36 0.51 0.50 -1.34 0.00 0.00 175.55 175.02 3k8n s ARG 158 N -1.69 0.43 -0.10 4.97 3.52 -1.26 -0.88 118.95 123.94 3k8n s ARG 158 Ca 0.01 1.18 0.02 0.00 -0.13 0.00 0.00 55.73 56.82 3k8n s ARG 158 Cb -0.01 0.52 0.01 0.00 -1.56 0.00 0.00 34.95 33.92 3k8n s ARG 158 CO -0.02 -0.26 -0.16 -1.58 -0.81 0.00 0.00 175.30 172.47 3k8n s HIS 159 N 2.73 1.97 -0.13 5.12 2.46 -0.52 -5.00 115.29 121.92 3k8n s HIS 159 Ca -0.02 -0.89 -0.17 0.00 0.47 0.00 0.00 55.06 54.45 3k8n s HIS 159 Cb -0.12 -1.41 -0.04 0.00 -0.13 0.00 0.00 32.58 30.88 3k8n s HIS 159 CO -0.16 -0.44 0.44 0.00 -2.47 0.00 0.00 174.74 172.11 3k8n s ALA 160 N 0.86 3.50 0.00 1.58 0.00 -1.26 -1.49 121.76 124.95 3k8n s ALA 160 Ca -0.09 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.63 3k8n s ALA 160 Cb -0.15 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.36 3k8n s ALA 160 CO 0.00 0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.19 3k8n n GLY 161 N 3.30 1.54 3.77 0.00 0.00 -1.03 -5.03 105.19 107.74 3k8n n GLY 161 Ca -0.08 -2.10 -0.41 0.00 0.00 0.00 0.00 46.02 43.43 3k8n n GLY 161 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k8n s ASP 162 N 0.00 6.52 0.16 1.61 1.01 -1.26 -4.63 116.67 120.08 3k8n s ASP 162 Ca 0.00 2.90 -0.30 0.00 0.71 0.00 0.00 52.55 55.86 3k8n s ASP 162 Cb 0.00 -2.66 -0.07 0.00 1.01 0.00 0.00 42.92 41.20 3k8n s ASP 162 CO 0.00 -0.73 1.00 -0.22 0.21 0.00 0.00 175.17 175.43 3k8n s LEU 163 N -1.95 4.53 0.35 1.23 2.96 -1.26 -4.96 118.68 119.58 3k8n s LEU 163 Ca 0.51 1.93 -0.17 0.00 -0.22 0.00 0.00 54.13 56.19 3k8n s LEU 163 Cb -0.44 -3.60 0.04 0.00 0.50 0.00 0.00 46.19 42.69 3k8n s LEU 163 CO 0.59 -0.07 0.75 0.54 -1.32 0.00 0.00 176.35 176.84 3k8n s ASN 164 N -0.32 -0.06 0.28 3.68 2.20 -1.26 -4.74 114.94 114.73 3k8n s ASN 164 Ca 0.46 -0.97 0.00 0.00 -0.94 0.00 0.00 52.86 51.41 3k8n s ASN 164 Cb -0.26 0.80 0.41 0.00 -2.00 0.00 0.00 41.25 40.20 3k8n s ASN 164 CO 0.32 -1.56 1.78 -0.65 -2.94 0.00 0.00 177.10 174.06 3k8n h PRO 165 N 2.01 0.67 0.16 3.55 0.11 -1.98 -0.05 132.00 136.47 3k8n h PRO 165 Ca -0.28 -0.18 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 3k8n h PRO 165 Cb 1.25 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3k8n h PRO 165 CO 0.35 0.72 -0.27 0.00 -0.21 0.00 0.00 178.00 178.59 3k8n h ARG 166 N 0.62 -0.44 -0.56 1.05 3.08 -1.98 0.22 114.38 116.37 3k8n h ARG 166 Ca 0.12 0.03 0.11 0.00 0.07 0.00 0.00 59.98 60.31 3k8n h ARG 166 Cb 0.46 0.10 -0.08 0.00 0.08 0.00 0.00 29.97 30.53 3k8n h ARG 166 CO 0.02 -0.30 0.08 0.28 -1.07 0.00 0.00 179.97 178.99 3k8n h VAL 167 N -0.46 0.63 0.44 2.04 2.07 -1.90 0.28 116.25 119.36 3k8n h VAL 167 Ca -0.02 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 3k8n h VAL 167 Cb 0.43 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3k8n h VAL 167 CO -0.09 0.04 -0.21 -0.25 0.02 0.00 0.00 177.57 177.07 3k8n h TRP 168 N 0.20 -0.55 -0.31 1.57 2.91 -0.87 0.92 115.95 119.83 3k8n h TRP 168 Ca 0.29 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.28 3k8n h TRP 168 Cb 0.43 0.18 -0.01 0.00 -0.51 0.00 0.00 29.16 29.25 3k8n h TRP 168 CO -0.27 -0.34 0.13 1.05 -1.03 0.00 0.00 178.44 177.98 3k8n h GLU 169 N -0.60 0.47 0.08 2.65 4.11 -0.19 0.34 114.58 121.43 3k8n h GLU 169 Ca -0.06 -0.08 -0.00 0.00 0.07 0.00 0.00 59.36 59.28 3k8n h GLU 169 Cb 0.46 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3k8n h GLU 169 CO 0.10 0.47 -0.04 0.93 0.07 0.00 0.00 179.01 180.54 3k8n h GLU 170 N 0.36 -0.11 0.00 1.06 5.08 -0.43 -3.41 114.58 117.13 3k8n h GLU 170 Ca 0.11 0.01 -0.23 0.00 -1.00 0.00 0.00 59.36 58.24 3k8n h GLU 170 Cb 0.18 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 3k8n h GLU 170 CO -0.01 0.39 -1.83 0.39 -1.00 0.00 0.00 179.01 176.95 3k8n n GLU 171 N -4.88 0.35 -0.01 2.33 1.02 0.28 -4.74 120.64 114.98 3k8n n GLU 171 Ca -0.08 0.10 -0.22 0.00 -0.02 0.00 0.00 57.16 56.94 3k8n n GLU 171 Cb 0.28 -1.20 -0.13 0.00 -0.02 0.00 0.00 31.44 30.36 3k8n n GLU 171 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3k8n h ILE 172 N -0.20 0.71 -0.58 -3.67 2.04 -1.30 -3.38 117.51 111.14 3k8n h ILE 172 Ca -0.35 -2.32 0.09 0.00 1.00 0.00 0.00 64.86 63.28 3k8n h ILE 172 Cb 1.44 2.47 -0.07 0.00 -0.74 0.00 0.00 36.82 39.92 3k8n h ILE 172 CO -0.12 0.77 0.21 0.50 0.00 0.00 0.00 178.15 179.51 3k8n h LYS 173 N -0.16 0.37 0.00 2.37 3.64 -0.56 -0.27 116.57 121.96 3k8n h LYS 173 Ca -0.40 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.94 3k8n h LYS 173 Cb 1.88 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 33.61 3k8n h LYS 173 CO 0.03 0.25 -0.08 -1.35 -2.27 0.00 0.00 179.45 176.02 3k8n h PRO 174 N 0.38 0.00 0.07 1.90 0.11 -1.80 -1.77 132.00 130.89 3k8n h PRO 174 Ca 0.29 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 66.12 3k8n h PRO 174 Cb 0.35 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.44 3k8n h PRO 174 CO -0.30 0.08 -1.39 -0.07 -0.21 0.00 0.00 178.00 176.11 3k8n h LEU 175 N 0.00 0.23 -0.40 2.35 3.38 -1.29 -2.20 115.31 117.38 3k8n h LEU 175 Ca -0.00 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.57 3k8n h LEU 175 Cb 0.22 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3k8n h LEU 175 CO 0.01 1.25 -0.11 -0.25 0.09 0.00 0.00 178.44 179.43 3k8n h TRP 176 N 0.04 0.88 -0.47 1.13 2.91 -0.58 -2.02 115.95 117.84 3k8n h TRP 176 Ca -0.18 -0.19 -0.05 0.00 1.13 0.00 0.00 58.89 59.60 3k8n h TRP 176 Cb 1.95 -0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 30.37 3k8n h TRP 176 CO 0.04 0.91 0.10 0.93 -1.03 0.00 0.00 178.44 179.39 3k8n h GLU 177 N 0.59 0.77 -0.54 2.65 5.08 -1.42 -0.99 114.58 120.71 3k8n h GLU 177 Ca 0.10 -0.19 0.07 0.00 -1.00 0.00 0.00 59.36 58.33 3k8n h GLU 177 Cb 0.64 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 3k8n h GLU 177 CO 0.04 0.76 0.24 -0.22 -1.00 0.00 0.00 179.01 178.83 3k8n h LYS 178 N 0.64 0.44 -0.09 2.33 3.64 -1.21 -1.74 116.57 120.58 3k8n h LYS 178 Ca 0.15 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3k8n h LYS 178 Cb 0.35 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3k8n h LYS 178 CO 0.00 0.29 0.00 0.66 -2.27 0.00 0.00 179.45 178.13 3k8n n TYR 179 N -4.94 0.09 -0.04 1.91 4.01 -0.77 -3.60 117.16 113.82 3k8n n TYR 179 Ca 0.06 -0.05 -0.15 0.00 -0.16 0.00 0.00 57.90 57.61 3k8n n TYR 179 Cb 0.19 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.08 3k8n n TYR 179 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3k8n n SER 180 N 0.73 1.34 0.27 7.72 7.64 -0.39 -4.19 113.62 126.74 3k8n n SER 180 Ca 0.17 0.21 0.17 0.00 1.01 0.00 0.00 58.87 60.43 3k8n n SER 180 Cb 0.46 -0.24 0.66 0.00 -1.01 0.00 0.00 64.21 64.08 3k8n n SER 180 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 3k8n h LYS 181 N 0.03 0.00 -2.04 1.43 6.56 -1.39 -2.74 116.57 118.41 3k8n h LYS 181 Ca -0.41 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 59.08 3k8n h LYS 181 Cb 2.04 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 33.66 3k8n h LYS 181 CO 0.05 0.01 -0.19 0.39 -2.06 0.00 0.00 179.45 177.65 3k8n n GLU 182 N -3.10 1.46 0.00 3.15 1.02 -1.24 -5.13 120.64 116.81 3k8n n GLU 182 Ca 0.01 -0.54 0.00 0.00 -0.02 0.00 0.00 57.16 56.61 3k8n n GLU 182 Cb 0.32 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 3k8n n GLU 182 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31