#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k8r s GLU 23 N 0.00 1.43 0.36 3.52 2.56 -1.26 -5.11 118.70 120.19 3k8r s GLU 23 Ca 0.00 -1.36 -0.26 0.00 0.00 0.00 0.00 54.97 53.35 3k8r s GLU 23 Cb 0.00 -1.91 -0.09 0.00 2.00 0.00 0.00 34.13 34.13 3k8r s GLU 23 CO 0.00 0.45 1.14 -1.25 -0.56 0.00 0.00 175.26 175.04 3k8r s PRO 24 N -2.11 4.26 -0.03 4.30 0.04 -1.26 -5.01 135.00 135.20 3k8r s PRO 24 Ca 0.15 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.00 3k8r s PRO 24 Cb -0.10 -2.83 0.03 0.00 0.04 0.00 0.00 34.50 31.64 3k8r s PRO 24 CO 0.06 -0.13 0.01 0.50 0.04 0.00 0.00 177.00 177.48 3k8r s ARG 25 N -2.05 0.17 0.04 4.56 3.52 -1.26 -4.90 118.95 119.03 3k8r s ARG 25 Ca 0.53 0.12 -0.30 0.00 -0.13 0.00 0.00 55.73 55.95 3k8r s ARG 25 Cb -0.30 -0.39 -0.08 0.00 -1.56 0.00 0.00 34.95 32.61 3k8r s ARG 25 CO 0.39 -0.15 1.84 0.00 -0.81 0.00 0.00 175.30 176.57 3k8r s ALA 26 N 1.03 3.64 -0.12 6.12 0.00 0.56 -0.59 121.76 132.39 3k8r s ALA 26 Ca -0.10 1.25 0.02 0.00 0.00 0.00 0.00 51.96 53.14 3k8r s ALA 26 Cb -0.13 -3.79 -0.24 0.00 0.00 0.00 0.00 23.12 18.96 3k8r s ALA 26 CO -0.02 -1.41 0.34 0.00 0.00 0.00 0.00 175.76 174.66 3k8r n ALA 27 N 6.87 1.18 -2.99 0.00 0.00 0.24 -4.73 120.51 121.09 3k8r n ALA 27 Ca 0.18 -0.77 -0.11 0.00 0.00 0.00 0.00 53.44 52.74 3k8r n ALA 27 Cb 0.41 -0.60 -0.08 0.00 0.00 0.00 0.00 19.45 19.17 3k8r n ALA 27 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3k8r s LYS 28 N -2.56 0.68 -0.09 0.00 1.02 -0.97 -5.00 119.74 112.82 3k8r s LYS 28 Ca -0.18 -0.50 -0.07 0.00 0.02 0.00 0.00 55.97 55.24 3k8r s LYS 28 Cb 0.07 0.29 0.03 0.00 -0.52 0.00 0.00 37.83 37.70 3k8r s LYS 28 CO 0.77 -0.20 0.24 0.00 -0.92 0.00 0.00 175.35 175.24 3k8r s ALA 29 N -2.18 -0.58 0.19 5.17 0.00 -1.26 -0.84 121.76 122.26 3k8r s ALA 29 Ca -0.08 0.75 -0.12 0.00 0.00 0.00 0.00 51.96 52.51 3k8r s ALA 29 Cb -0.03 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.65 3k8r s ALA 29 CO -0.02 -0.13 0.40 -0.98 0.00 0.00 0.00 175.76 175.03 3k8r s ARG 30 N 0.40 1.32 -0.24 0.00 1.70 -0.71 -4.87 118.95 116.55 3k8r s ARG 30 Ca -0.02 -1.12 -0.06 0.00 -0.47 0.00 0.00 55.73 54.06 3k8r s ARG 30 Cb -0.04 0.44 -0.02 0.00 -0.57 0.00 0.00 34.95 34.76 3k8r s ARG 30 CO -0.02 -0.52 0.03 -0.47 -1.08 0.00 0.00 175.30 173.24 3k8r s TYR 31 N -3.96 3.04 -0.44 5.89 5.04 -1.26 -0.85 117.35 124.82 3k8r s TYR 31 Ca 0.17 -0.59 -0.20 0.00 -2.44 0.00 0.00 57.07 54.01 3k8r s TYR 31 Cb 0.01 -2.19 0.02 0.00 0.35 0.00 0.00 41.96 40.16 3k8r s TYR 31 CO 0.02 -0.41 0.60 0.34 -1.34 0.00 0.00 175.55 174.75 3k8r s ASP 32 N 1.55 6.29 0.19 4.32 2.15 0.16 -4.88 116.67 126.45 3k8r s ASP 32 Ca 0.06 -0.42 -0.08 0.00 0.43 0.00 0.00 52.55 52.53 3k8r s ASP 32 Cb -0.15 -2.30 0.10 0.00 -0.30 0.00 0.00 42.92 40.28 3k8r s ASP 32 CO 0.01 -0.74 1.66 0.03 -0.17 0.00 0.00 175.17 175.97 3k8r h ARG 33 N 8.85 1.06 0.09 4.34 3.08 -1.97 0.14 114.38 129.97 3k8r h ARG 33 Ca -0.26 -0.32 0.02 0.00 0.07 0.00 0.00 59.98 59.49 3k8r h ARG 33 Cb 1.10 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 31.00 3k8r h ARG 33 CO 0.87 1.02 -0.39 1.03 -1.07 0.00 0.00 179.97 181.43 3k8r h SER 34 N 0.97 -1.16 -0.05 7.04 0.87 -1.96 -2.76 113.55 116.49 3k8r h SER 34 Ca 0.18 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 3k8r h SER 34 Cb 0.54 0.44 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 3k8r h SER 34 CO 0.03 -0.46 0.00 -1.54 -0.53 0.00 0.00 176.83 174.32 3k8r n SER 35 N -5.45 1.71 -3.84 6.23 3.41 -1.20 -4.96 113.62 109.52 3k8r n SER 35 Ca -0.07 -1.60 -0.24 0.00 -0.26 0.00 0.00 58.87 56.71 3k8r n SER 35 Cb 0.37 -0.03 0.01 0.00 -0.26 0.00 0.00 64.21 64.30 3k8r n SER 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k8r n ALA 36 N 0.34 -1.97 -2.75 7.33 0.00 0.43 -4.99 120.51 118.91 3k8r n ALA 36 Ca 0.18 -0.20 -0.12 0.00 0.00 0.00 0.00 53.44 53.31 3k8r n ALA 36 Cb 0.38 -1.86 -0.11 0.00 0.00 0.00 0.00 19.45 17.86 3k8r n ALA 36 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3k8r s ARG 37 N -6.29 0.53 -0.32 0.00 1.81 -0.93 -4.41 118.95 109.34 3k8r s ARG 37 Ca 0.05 -0.83 -0.17 0.00 -1.72 0.00 0.00 55.73 53.05 3k8r s ARG 37 Cb -0.02 -0.18 -0.01 0.00 -0.45 0.00 0.00 34.95 34.28 3k8r s ARG 37 CO 0.85 0.01 0.48 0.08 -0.68 0.00 0.00 175.30 176.05 3k8r s VAL 38 N -1.82 5.06 -0.24 3.52 1.01 -0.43 0.37 120.40 127.86 3k8r s VAL 38 Ca -0.07 0.46 -0.08 0.00 0.00 0.00 0.00 61.98 62.29 3k8r s VAL 38 Cb -0.07 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 3k8r s VAL 38 CO -0.01 -0.09 0.08 -0.63 0.00 0.00 0.00 175.10 174.45 3k8r s ILE 39 N 2.30 4.51 -0.21 2.22 1.01 -0.03 -1.68 121.20 129.32 3k8r s ILE 39 Ca 0.18 -0.11 -0.04 0.00 0.00 0.00 0.00 60.65 60.68 3k8r s ILE 39 Cb -0.16 -3.10 -0.01 0.00 0.01 0.00 0.00 42.46 39.20 3k8r s ILE 39 CO 0.12 0.35 -0.03 -0.69 0.00 0.00 0.00 174.94 174.69 3k8r s VAL 40 N 1.42 3.57 -0.44 2.92 1.01 0.18 -1.74 120.40 127.33 3k8r s VAL 40 Ca 0.06 -0.43 -0.18 0.00 0.00 0.00 0.00 61.98 61.42 3k8r s VAL 40 Cb -0.15 -2.62 0.03 0.00 0.00 0.00 0.00 36.38 33.64 3k8r s VAL 40 CO 0.04 0.42 0.50 -1.81 0.00 0.00 0.00 175.10 174.26 3k8r s ASP 41 N 1.30 6.22 0.61 3.32 1.01 -0.02 -0.83 116.67 128.27 3k8r s ASP 41 Ca 0.04 -0.69 -0.14 0.00 0.71 0.00 0.00 52.55 52.46 3k8r s ASP 41 Cb -0.14 -2.25 -0.03 0.00 1.01 0.00 0.00 42.92 41.51 3k8r s ASP 41 CO -0.01 -0.67 1.05 -0.76 0.21 0.00 0.00 175.17 174.99 3k8r s LEU 42 N 2.31 3.40 0.09 1.23 1.43 0.21 -0.59 118.68 126.76 3k8r s LEU 42 Ca 0.14 1.71 0.21 0.00 -1.03 0.00 0.00 54.13 55.16 3k8r s LEU 42 Cb -0.17 -4.52 0.86 0.00 0.03 0.00 0.00 46.19 42.39 3k8r s LEU 42 CO 0.14 -1.16 1.66 1.21 0.23 0.00 0.00 176.35 178.42 3k8r n GLU 43 N -2.31 0.08 -0.51 1.70 2.13 0.24 -2.35 120.64 119.62 3k8r n GLU 43 Ca 0.08 0.24 0.10 0.00 0.66 0.00 0.00 57.16 58.24 3k8r n GLU 43 Cb 0.53 -1.63 0.33 0.00 0.27 0.00 0.00 31.44 30.94 3k8r n GLU 43 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 3k8r n ASN 44 N -1.78 4.38 0.00 4.31 0.23 -1.26 -4.93 115.26 116.21 3k8r n ASN 44 Ca 0.04 -2.33 0.00 0.00 -0.53 0.00 0.00 54.58 51.76 3k8r n ASN 44 Cb 0.25 -0.53 0.00 0.00 -2.08 0.00 0.00 39.78 37.42 3k8r n ASN 44 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3k8r n GLY 45 N 1.13 0.69 3.96 4.83 0.00 -0.99 -5.07 105.19 109.74 3k8r n GLY 45 Ca 0.24 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.04 3k8r n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k8r s THR 47 N -2.54 0.72 -0.03 0.00 2.01 -1.26 0.64 115.64 115.19 3k8r s THR 47 Ca 0.50 -0.52 0.03 0.00 0.31 0.00 0.00 61.69 62.00 3k8r s THR 47 Cb -0.10 -0.63 0.00 0.00 0.01 0.00 0.00 72.50 71.78 3k8r s THR 47 CO 0.37 0.11 -0.10 0.12 -0.69 0.00 0.00 174.62 174.43 3k8r s PHE 48 N -0.40 1.03 0.03 4.92 5.36 -0.01 -4.97 117.98 123.94 3k8r s PHE 48 Ca 0.02 -0.26 0.04 0.00 -0.96 0.00 0.00 56.93 55.76 3k8r s PHE 48 Cb -0.05 -0.73 -0.02 0.00 -0.34 0.00 0.00 43.02 41.89 3k8r s PHE 48 CO -0.00 -0.11 -0.11 0.00 -1.46 0.00 0.00 175.22 173.54 3k8r s ALA 49 N 0.19 0.87 -0.05 11.12 0.00 -1.26 0.50 121.76 133.13 3k8r s ALA 49 Ca -0.03 -0.70 -0.08 0.00 0.00 0.00 0.00 51.96 51.15 3k8r s ALA 49 Cb -0.09 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 22.94 3k8r s ALA 49 CO 0.01 0.13 0.19 -0.59 0.00 0.00 0.00 175.76 175.50 3k8r s PHE 50 N -0.88 -0.16 -0.13 0.00 -0.71 -0.68 -4.96 117.98 110.46 3k8r s PHE 50 Ca -0.02 0.38 -0.29 0.00 -1.04 0.00 0.00 56.93 55.95 3k8r s PHE 50 Cb -0.07 0.05 -0.02 0.00 -1.21 0.00 0.00 43.02 41.76 3k8r s PHE 50 CO 0.01 -0.17 1.27 -1.25 -1.34 0.00 0.00 175.22 173.74 3k8r s PRO 51 N -0.32 4.26 0.59 1.99 0.04 -1.26 -1.31 135.00 138.99 3k8r s PRO 51 Ca -0.04 1.69 0.29 0.00 0.04 0.00 0.00 61.00 62.99 3k8r s PRO 51 Cb -0.03 -3.72 1.71 0.00 0.04 0.00 0.00 34.50 32.50 3k8r s PRO 51 CO 0.01 -0.65 2.13 -1.00 0.04 0.00 0.00 177.00 177.53 3k8r h PRO 52 N 8.08 0.00 -1.46 0.56 0.13 -1.94 -2.18 132.00 135.19 3k8r h PRO 52 Ca -0.29 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.41 3k8r h PRO 52 Cb 1.12 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.07 3k8r h PRO 52 CO 0.95 0.00 0.54 0.54 -0.23 0.00 0.00 178.00 179.79 3k8r n ARG 53 N -3.76 2.09 -0.00 0.86 1.74 -1.26 -1.85 116.66 114.47 3k8r n ARG 53 Ca 0.01 -2.08 0.01 0.00 -0.77 0.00 0.00 57.85 55.01 3k8r n ARG 53 Cb 0.28 -1.84 -0.01 0.00 -1.02 0.00 0.00 32.46 29.87 3k8r n ARG 53 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3k8r n LEU 54 N 0.09 0.00 -4.71 0.55 4.77 -0.82 -5.00 117.00 111.88 3k8r n LEU 54 Ca 0.40 -0.01 -0.38 0.00 -0.03 0.00 0.00 56.01 55.99 3k8r n LEU 54 Cb 0.59 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.61 3k8r n LEU 54 CO 0.48 0.00 0.19 0.00 -1.33 0.00 0.00 177.39 176.73 3k8r s ALA 55 N -2.07 3.49 0.06 -1.18 0.00 -0.77 -4.80 121.76 116.48 3k8r s ALA 55 Ca -0.00 -0.24 -0.30 0.00 0.00 0.00 0.00 51.96 51.41 3k8r s ALA 55 Cb 0.01 -2.70 -0.09 0.00 0.00 0.00 0.00 23.12 20.34 3k8r s ALA 55 CO 0.06 -0.12 1.81 -1.14 0.00 0.00 0.00 175.76 176.36 3k8r s GLN 56 N 0.91 4.16 0.00 0.00 0.74 -0.20 -2.32 119.66 122.96 3k8r s GLN 56 Ca 0.26 2.49 0.00 0.00 0.05 0.00 0.00 55.36 58.15 3k8r s GLN 56 Cb -0.15 -3.82 0.00 0.00 1.10 0.00 0.00 33.01 30.13 3k8r s GLN 56 CO 0.10 -0.85 0.00 0.41 -0.55 0.00 0.00 175.29 174.40 3k8r n GLY 57 N 4.26 2.22 0.15 2.59 0.00 -1.26 -4.91 105.19 108.24 3k8r n GLY 57 Ca 0.18 -0.71 0.13 0.00 0.00 0.00 0.00 46.02 45.61 3k8r n GLY 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k8r n LEU 58 N 0.00 0.84 -4.51 0.99 4.77 -0.98 -4.91 117.00 113.19 3k8r n LEU 58 Ca 0.00 -0.17 -0.50 0.00 -0.03 0.00 0.00 56.01 55.31 3k8r n LEU 58 Cb 0.00 -0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 40.88 3k8r n LEU 58 CO 0.00 0.17 0.46 -0.62 -1.33 0.00 0.00 177.39 176.06 3k8r n GLU 59 N -0.97 0.58 -1.87 3.23 1.02 -1.25 -1.27 120.64 120.12 3k8r n GLU 59 Ca 0.10 0.21 -0.17 0.00 -0.02 0.00 0.00 57.16 57.28 3k8r n GLU 59 Cb 0.34 -1.55 -0.05 0.00 -0.02 0.00 0.00 31.44 30.17 3k8r n GLU 59 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k8r n GLY 60 N 1.82 0.73 3.76 0.62 0.00 -1.26 -4.96 105.19 105.91 3k8r n GLY 60 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3k8r n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k8r s ALA 61 N -2.59 3.41 0.79 4.61 0.00 -0.40 -5.05 121.76 122.53 3k8r s ALA 61 Ca 0.00 0.33 -0.11 0.00 0.00 0.00 0.00 51.96 52.18 3k8r s ALA 61 Cb 0.00 -2.99 0.06 0.00 0.00 0.00 0.00 23.12 20.20 3k8r s ALA 61 CO 0.00 0.18 1.09 -1.54 0.00 0.00 0.00 175.76 175.49 3k8r s SER 62 N -0.61 4.52 0.14 0.00 1.04 -1.26 -4.79 113.70 112.73 3k8r s SER 62 Ca 0.37 1.47 -0.20 0.00 0.48 0.00 0.00 55.95 58.07 3k8r s SER 62 Cb -0.22 -2.22 0.01 0.00 0.10 0.00 0.00 66.02 63.68 3k8r s SER 62 CO 0.25 -1.98 1.68 0.44 0.98 0.00 0.00 173.24 174.61 3k8r h ASP 63 N -1.09 -0.34 -0.63 7.02 5.19 -1.99 0.21 116.42 124.79 3k8r h ASP 63 Ca -0.46 0.09 0.13 0.00 -0.62 0.00 0.00 57.03 56.16 3k8r h ASP 63 Cb 1.25 0.19 -0.10 0.00 0.18 0.00 0.00 39.33 40.86 3k8r h ASP 63 CO 0.57 -0.13 0.07 0.44 -3.12 0.00 0.00 179.24 177.07 3k8r h ASP 64 N -0.07 -0.14 -0.62 6.45 5.19 -2.01 -1.48 116.42 123.74 3k8r h ASP 64 Ca 0.12 0.14 -0.03 0.00 -0.62 0.00 0.00 57.03 56.64 3k8r h ASP 64 Cb 0.25 0.22 -0.03 0.00 0.18 0.00 0.00 39.33 39.95 3k8r h ASP 64 CO -0.27 -0.06 0.26 1.56 -3.12 0.00 0.00 179.24 177.61 3k8r h GLN 65 N 0.19 0.92 -0.69 3.56 4.20 -1.66 -3.03 115.11 118.60 3k8r h GLN 65 Ca 0.34 -0.16 0.01 0.00 0.06 0.00 0.00 58.65 58.90 3k8r h GLN 65 Cb 0.54 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.13 3k8r h GLN 65 CO -0.49 0.76 0.46 -0.07 -0.67 0.00 0.00 178.83 178.83 3k8r h LEU 66 N 0.86 0.78 -2.30 1.46 3.38 0.05 -2.60 115.31 116.93 3k8r h LEU 66 Ca 0.21 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.20 3k8r h LEU 66 Cb 0.18 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3k8r h LEU 66 CO -0.02 0.56 0.19 0.00 0.09 0.00 0.00 178.44 179.25 3k8r n ALA 68 N -2.25 1.56 -1.53 0.00 0.00 -0.98 -4.75 120.51 112.56 3k8r n ALA 68 Ca 0.00 -0.04 -0.50 0.00 0.00 0.00 0.00 53.44 52.91 3k8r n ALA 68 Cb 0.29 -1.13 -0.04 0.00 0.00 0.00 0.00 19.45 18.57 3k8r n ALA 68 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3k8r n VAL 69 N -1.29 1.12 -4.25 0.00 3.14 -1.06 -4.76 118.33 111.24 3k8r n VAL 69 Ca 0.04 -0.28 -0.15 0.00 -2.96 0.00 0.00 64.34 60.99 3k8r n VAL 69 Cb 0.07 -0.56 -0.10 0.00 -1.06 0.00 0.00 33.84 32.19 3k8r n VAL 69 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 3k8r s GLU 70 N -0.59 1.05 -0.17 1.45 2.02 0.54 -4.89 118.70 118.11 3k8r s GLU 70 Ca 0.72 -1.42 -0.07 0.00 0.02 0.00 0.00 54.97 54.22 3k8r s GLU 70 Cb -0.91 -0.65 -0.04 0.00 0.10 0.00 0.00 34.13 32.62 3k8r s GLU 70 CO 0.55 0.09 0.07 0.42 0.02 0.00 0.00 175.26 176.40 3k8r s ILE 71 N -3.16 4.83 0.21 -1.63 1.01 -1.26 -0.34 121.20 120.86 3k8r s ILE 71 Ca 0.15 -0.02 0.04 0.00 0.00 0.00 0.00 60.65 60.82 3k8r s ILE 71 Cb 0.01 -3.16 -0.02 0.00 0.01 0.00 0.00 42.46 39.31 3k8r s ILE 71 CO 0.01 0.48 0.15 0.18 0.00 0.00 0.00 174.94 175.76 3k8r n LEU 72 N 3.31 0.00 0.00 2.97 4.77 -0.57 -4.94 117.00 122.54 3k8r n LEU 72 Ca -0.17 -1.89 0.00 0.00 -0.03 0.00 0.00 56.01 53.92 3k8r n LEU 72 Cb 0.52 0.89 0.00 0.00 -2.33 0.00 0.00 43.42 42.51 3k8r n LEU 72 CO 0.35 -0.31 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 3k8r n GLY 73 N -0.15 -0.44 0.24 -0.72 0.00 -1.26 -1.83 105.19 101.03 3k8r n GLY 73 Ca 0.02 -1.10 -0.08 0.00 0.00 0.00 0.00 46.02 44.86 3k8r n GLY 73 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3k8r h GLN 74 N 0.00 -0.50 0.00 1.61 1.08 -1.97 -3.44 115.11 111.89 3k8r h GLN 74 Ca 0.00 0.03 -0.12 0.00 -1.45 0.00 0.00 58.65 57.12 3k8r h GLN 74 Cb 0.00 0.11 -0.12 0.00 -0.05 0.00 0.00 27.48 27.43 3k8r h GLN 74 CO 0.00 -0.33 -0.25 0.41 -0.95 0.00 0.00 178.83 177.71 3k8r n GLY 75 N 0.46 0.53 0.01 3.46 0.00 -1.21 -4.97 105.19 103.46 3k8r n GLY 75 Ca -0.07 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.04 3k8r n GLY 75 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3k8r n TYR 76 N -0.16 0.05 -4.64 1.61 4.01 -1.07 -0.33 117.16 116.63 3k8r n TYR 76 Ca -0.24 0.02 -0.31 0.00 -0.16 0.00 0.00 57.90 57.21 3k8r n TYR 76 Cb 0.67 -0.20 -0.13 0.00 -0.31 0.00 0.00 39.34 39.37 3k8r n TYR 76 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3k8r s GLY 77 N -3.43 1.58 -0.16 2.72 0.00 -0.76 0.05 107.32 107.31 3k8r s GLY 77 Ca 0.04 -1.21 -0.06 0.00 0.00 0.00 0.00 44.72 43.49 3k8r s GLY 77 CO 0.85 -1.11 0.05 1.08 0.00 0.00 0.00 173.10 173.98 3k8r s LEU 78 N -1.49 3.78 -0.00 0.66 1.43 0.08 -1.51 118.68 121.63 3k8r s LEU 78 Ca 0.15 0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.40 3k8r s LEU 78 Cb -0.10 -1.93 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 3k8r s LEU 78 CO 0.05 0.23 -0.14 -2.28 0.23 0.00 0.00 176.35 174.44 3k8r s HIS 79 N 0.04 1.25 -0.26 0.29 2.46 0.54 -0.96 115.29 118.65 3k8r s HIS 79 Ca 0.05 -0.25 0.00 0.00 0.47 0.00 0.00 55.06 55.33 3k8r s HIS 79 Cb -0.12 -0.80 0.08 0.00 -0.13 0.00 0.00 32.58 31.60 3k8r s HIS 79 CO 0.01 -0.01 0.01 -1.58 -2.47 0.00 0.00 174.74 170.70 3k8r s TRP 80 N -0.39 2.20 0.05 3.88 0.51 -0.44 -0.34 118.94 124.42 3k8r s TRP 80 Ca 0.05 -1.79 -0.31 0.00 -2.12 0.00 0.00 56.10 51.93 3k8r s TRP 80 Cb -0.06 -1.71 -0.17 0.00 -0.81 0.00 0.00 33.47 30.72 3k8r s TRP 80 CO -0.00 -0.80 1.47 1.49 -0.51 0.00 0.00 176.95 178.59 3k8r h GLU 81 N 7.99 -1.02 -0.65 4.98 4.57 -1.85 0.18 114.58 128.76 3k8r h GLU 81 Ca -0.15 0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 3k8r h GLU 81 Cb 1.06 0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 29.85 3k8r h GLU 81 CO 0.43 -0.68 0.37 1.15 -1.18 0.00 0.00 179.01 179.10 3k8r h THR 82 N -1.06 1.20 0.00 0.32 2.02 -1.97 -1.89 112.91 111.53 3k8r h THR 82 Ca -0.10 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.59 3k8r h THR 82 Cb 0.83 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 3k8r h THR 82 CO 0.14 0.22 0.00 -0.07 0.37 0.00 0.00 175.52 176.17 3k8r h LEU 83 N 0.89 0.00 -2.21 2.58 3.38 -1.95 -3.47 115.31 114.52 3k8r h LEU 83 Ca 0.23 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.85 3k8r h LEU 83 Cb 0.02 0.00 0.13 0.00 0.09 0.00 0.00 40.66 40.89 3k8r h LEU 83 CO -0.04 0.00 -0.85 -0.67 0.09 0.00 0.00 178.44 176.97 3k8r n ASP 84 N -2.80 -3.69 -4.22 -0.43 2.03 0.01 -5.02 116.55 102.43 3k8r n ASP 84 Ca 0.02 -0.79 -0.28 0.00 0.52 0.00 0.00 54.79 54.26 3k8r n ASP 84 Cb 0.34 -4.48 -0.16 0.00 -0.72 0.00 0.00 41.12 36.11 3k8r n ASP 84 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3k8r s VAL 85 N -3.49 1.74 -0.14 5.18 1.01 -0.95 -5.01 120.40 118.73 3k8r s VAL 85 Ca 0.22 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 3k8r s VAL 85 Cb -0.05 -1.46 0.05 0.00 0.00 0.00 0.00 36.38 34.92 3k8r s VAL 85 CO 0.78 0.49 0.02 -1.81 0.00 0.00 0.00 175.10 174.59 3k8r s ASP 86 N -0.28 2.34 -0.08 3.32 1.01 -1.26 -1.33 116.67 120.39 3k8r s ASP 86 Ca 0.02 -0.51 -0.00 0.00 0.71 0.00 0.00 52.55 52.77 3k8r s ASP 86 Cb -0.11 -0.52 -0.03 0.00 1.01 0.00 0.00 42.92 43.27 3k8r s ASP 86 CO 0.01 -0.26 -0.05 -0.76 0.21 0.00 0.00 175.17 174.32 3k8r s LEU 87 N 1.92 3.28 -0.35 1.23 1.43 -0.13 -4.95 118.68 121.10 3k8r s LEU 87 Ca 0.02 0.02 -0.28 0.00 -1.03 0.00 0.00 54.13 52.86 3k8r s LEU 87 Cb -0.15 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.36 3k8r s LEU 87 CO -0.07 0.36 1.02 -0.55 0.23 0.00 0.00 176.35 177.34 3k8r s SER 88 N -0.77 6.82 0.16 2.29 0.15 -1.26 -0.74 113.70 120.35 3k8r s SER 88 Ca 0.12 0.85 -0.15 0.00 0.70 0.00 0.00 55.95 57.46 3k8r s SER 88 Cb -0.11 -2.51 0.07 0.00 -1.71 0.00 0.00 66.02 61.76 3k8r s SER 88 CO 0.02 -0.89 1.78 0.25 1.20 0.00 0.00 173.24 175.60 3k8r h LEU 89 N 10.14 0.29 -1.30 3.45 5.85 -0.73 0.61 115.31 133.61 3k8r h LEU 89 Ca -0.22 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.54 3k8r h LEU 89 Cb 1.07 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 3k8r h LEU 89 CO 1.02 0.21 0.48 -0.65 -0.34 0.00 0.00 178.44 179.16 3k8r h PRO 90 N 0.41 0.91 -0.11 5.25 0.11 -1.93 -2.66 132.00 133.98 3k8r h PRO 90 Ca 0.18 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 3k8r h PRO 90 Cb 0.09 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 30.99 3k8r h PRO 90 CO -0.13 0.60 0.04 0.78 -0.21 0.00 0.00 178.00 179.08 3k8r h GLY 91 N 0.94 0.18 -1.25 -0.55 0.00 -1.55 0.66 103.07 101.50 3k8r h GLY 91 Ca 0.28 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.50 3k8r h GLY 91 CO -0.07 0.10 0.00 1.04 0.00 0.00 0.00 176.54 177.61 3k8r n LEU 92 N -4.89 0.00 0.00 3.11 4.77 0.09 0.07 117.00 120.15 3k8r n LEU 92 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 3k8r n LEU 92 Cb 0.13 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3k8r n LEU 92 CO 0.34 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.40 3k8r n ALA 94 N 0.54 0.00 -0.09 -1.18 0.00 0.22 -4.13 120.51 115.88 3k8r n ALA 94 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3k8r n ALA 94 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3k8r n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k8r n GLY 95 N 0.00 0.88 3.50 0.00 0.00 -0.64 -5.06 105.19 103.87 3k8r n GLY 95 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3k8r n GLY 95 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k8r s ILE 96 N -2.03 5.07 -1.54 -0.61 1.01 0.11 -4.90 121.20 118.31 3k8r s ILE 96 Ca 0.00 -0.20 0.13 0.00 0.00 0.00 0.00 60.65 60.58 3k8r s ILE 96 Cb 0.00 -4.02 0.12 0.00 0.01 0.00 0.00 42.46 38.57 3k8r s ILE 96 CO 0.00 -0.37 0.93 0.49 0.00 0.00 0.00 174.94 175.98 3k8r n PHE 97 N 5.64 0.04 -3.22 3.97 3.72 -1.26 -3.09 117.46 123.26 3k8r n PHE 97 Ca -0.07 -0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 3k8r n PHE 97 Cb 0.48 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 3k8r n PHE 97 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3k8r n GLY 98 N 0.70 -1.05 3.82 1.37 0.00 -1.26 -1.03 105.19 107.75 3k8r n GLY 98 Ca 0.08 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 44.95 3k8r n GLY 98 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k8r s THR 99 N -3.00 4.11 0.19 2.61 -4.23 -1.26 -4.90 115.64 109.15 3k8r s THR 99 Ca 0.00 0.81 -0.15 0.00 -1.18 0.00 0.00 61.69 61.16 3k8r s THR 99 Cb 0.00 -3.49 0.16 0.00 1.34 0.00 0.00 72.50 70.51 3k8r s THR 99 CO 0.00 -0.78 1.65 0.11 -0.54 0.00 0.00 174.62 175.06 3k8r h LYS 100 N -0.16 -0.01 -0.84 3.99 1.57 -2.04 0.69 116.57 119.77 3k8r h LYS 100 Ca -0.45 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.48 3k8r h LYS 100 Cb 1.21 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.43 3k8r h LYS 100 CO 0.58 -0.00 0.43 0.00 -0.57 0.00 0.00 179.45 179.89 3k8r h ALA 101 N 1.50 1.26 0.00 3.86 0.00 -2.06 -3.38 119.26 120.44 3k8r h ALA 101 Ca 0.25 0.09 -0.36 0.00 0.00 0.00 0.00 54.91 54.88 3k8r h ALA 101 Cb 0.38 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.17 3k8r h ALA 101 CO -0.53 -0.09 2.26 1.87 0.00 0.00 0.00 179.25 182.76 3k8r n TRP 102 N -4.88 1.23 -0.97 0.00 -0.00 0.23 -5.21 117.44 107.84 3k8r n TRP 102 Ca 0.17 -1.90 0.00 0.00 -0.00 0.00 0.00 57.50 55.77 3k8r n TRP 102 Cb 0.43 -1.67 0.00 0.00 -0.00 0.00 0.00 31.31 30.07 3k8r n TRP 102 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69