#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nnx n GLY 3 N 0.00 3.81 0.00 1.08 0.00 -1.26 -5.17 105.19 103.66 1nnx n GLY 3 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.32 1nnx n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nnx n GLY 4 N -0.11 -0.73 3.70 -0.02 0.00 -1.26 -5.09 105.19 101.69 1nnx n GLY 4 Ca 0.01 -1.60 -0.40 0.00 0.00 0.00 0.00 46.02 44.03 1nnx n GLY 4 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1nnx s PHE 5 N -1.89 3.52 -0.39 1.61 2.19 -1.26 -5.03 117.98 116.73 1nnx s PHE 5 Ca 0.00 1.13 -0.06 0.00 0.33 0.00 0.00 56.93 58.33 1nnx s PHE 5 Cb 0.00 -2.77 0.08 0.00 -1.31 0.00 0.00 43.02 39.02 1nnx s PHE 5 CO 0.00 0.04 0.19 0.45 1.83 0.00 0.00 175.22 177.73 1nnx s SER 6 N 0.86 5.37 0.00 6.13 0.15 -1.26 -5.03 113.70 119.91 1nnx s SER 6 Ca 0.34 -1.62 0.00 0.00 0.70 0.00 0.00 55.95 55.37 1nnx s SER 6 Cb -0.17 -1.88 0.00 0.00 -1.71 0.00 0.00 66.02 62.26 1nnx s SER 6 CO 0.15 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 174.72 1nnx n GLY 7 N 4.76 -1.19 3.79 9.45 0.00 -1.26 -4.36 105.19 116.37 1nnx n GLY 7 Ca -0.08 -0.93 -0.34 0.00 0.00 0.00 0.00 46.02 44.67 1nnx n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nnx s PRO 8 N -1.13 3.53 0.02 1.61 0.04 -1.26 -5.04 135.00 132.78 1nnx s PRO 8 Ca 0.00 1.43 -0.01 0.00 0.04 0.00 0.00 61.00 62.46 1nnx s PRO 8 Cb 0.00 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 1nnx s PRO 8 CO 0.00 -0.67 -0.03 0.43 0.04 0.00 0.00 177.00 176.77 1nnx n SER 9 N -1.29 0.66 0.00 6.66 7.64 -1.26 -5.22 113.62 120.81 1nnx n SER 9 Ca 0.10 0.09 0.00 0.00 1.01 0.00 0.00 58.87 60.07 1nnx n SER 9 Cb 0.52 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 1nnx n SER 9 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nnx n GLY 23 N 3.08 0.00 3.73 0.23 0.00 -1.26 -5.34 105.19 105.63 1nnx n GLY 23 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1nnx n GLY 23 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nnx s SER 24 N -0.30 7.43 -0.23 1.61 0.01 -1.26 -5.03 113.70 115.93 1nnx s SER 24 Ca 0.00 1.84 -0.08 0.00 1.31 0.00 0.00 55.95 59.01 1nnx s SER 24 Cb 0.00 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 1nnx s SER 24 CO 0.00 -0.13 0.10 -0.69 0.41 0.00 0.00 173.24 172.93 1nnx s VAL 25 N 0.12 4.79 0.05 3.43 1.01 -1.26 -4.39 120.40 124.16 1nnx s VAL 25 Ca 0.48 -0.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.43 1nnx s VAL 25 Cb -0.24 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 1nnx s VAL 25 CO 0.30 0.37 0.24 -0.89 0.00 0.00 0.00 175.10 175.12 1nnx s THR 26 N 1.09 5.36 0.46 3.92 2.01 0.01 -5.00 115.64 123.48 1nnx s THR 26 Ca 0.05 -0.21 -0.20 0.00 0.31 0.00 0.00 61.69 61.64 1nnx s THR 26 Cb -0.14 -3.60 -0.10 0.00 0.01 0.00 0.00 72.50 68.67 1nnx s THR 26 CO 0.04 0.19 0.98 0.42 -0.69 0.00 0.00 174.62 175.56 1nnx s THR 27 N -1.47 4.21 0.22 -0.82 -4.23 -1.26 -4.51 115.64 107.78 1nnx s THR 27 Ca 0.33 1.35 -0.08 0.00 -1.18 0.00 0.00 61.69 62.11 1nnx s THR 27 Cb -0.13 -3.56 0.16 0.00 1.34 0.00 0.00 72.50 70.31 1nnx s THR 27 CO 0.24 -0.33 1.78 0.58 -0.54 0.00 0.00 174.62 176.35 1nnx h VAL 28 N 1.70 0.86 -0.78 2.29 2.07 -1.92 -0.74 116.25 119.72 1nnx h VAL 28 Ca -0.49 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 1nnx h VAL 28 Cb 1.19 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 1nnx h VAL 28 CO 0.60 0.10 0.43 1.05 0.02 0.00 0.00 177.57 179.78 1nnx h GLU 29 N 0.57 1.09 0.00 1.57 4.11 -1.88 -2.18 114.58 117.86 1nnx h GLU 29 Ca 0.33 -0.12 -0.13 0.00 0.07 0.00 0.00 59.36 59.50 1nnx h GLU 29 Cb 0.33 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1nnx h GLU 29 CO -0.25 0.80 -0.63 0.66 0.07 0.00 0.00 179.01 179.65 1nnx h SER 30 N 1.08 0.00 0.02 3.06 4.64 -1.87 -3.04 113.55 117.44 1nnx h SER 30 Ca 0.28 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.58 1nnx h SER 30 Cb 0.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 1nnx h SER 30 CO -0.05 0.63 -0.05 0.00 -0.87 0.00 0.00 176.83 176.50 1nnx h ALA 31 N 1.37 1.80 0.00 5.18 0.00 -0.51 -0.78 119.26 126.31 1nnx h ALA 31 Ca -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1nnx h ALA 31 Cb 1.24 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1nnx h ALA 31 CO 0.08 0.15 -0.03 0.87 0.00 0.00 0.00 179.25 180.32 1nnx h LYS 32 N 0.09 0.00 -0.02 0.00 1.57 -1.35 -2.06 116.57 114.81 1nnx h LYS 32 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1nnx h LYS 32 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1nnx h LYS 32 CO 0.01 0.03 -0.10 -1.13 -0.57 0.00 0.00 179.45 177.69 1nnx n SER 33 N -3.27 1.64 -4.89 0.86 3.41 -0.30 -4.94 113.62 106.12 1nnx n SER 33 Ca -0.02 -1.42 -0.29 0.00 -0.26 0.00 0.00 58.87 56.89 1nnx n SER 33 Cb 0.18 0.07 0.03 0.00 -0.26 0.00 0.00 64.21 64.23 1nnx n SER 33 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1nnx s LEU 34 N -2.16 3.15 0.62 1.04 1.43 -0.78 -5.02 118.68 116.96 1nnx s LEU 34 Ca 0.32 1.02 -0.17 0.00 -1.03 0.00 0.00 54.13 54.27 1nnx s LEU 34 Cb 0.20 -3.89 -0.02 0.00 0.03 0.00 0.00 46.19 42.51 1nnx s LEU 34 CO 0.39 -1.08 1.14 -0.13 0.23 0.00 0.00 176.35 176.90 1nnx s ARG 35 N -5.14 2.93 0.50 1.70 3.00 -1.26 -4.96 118.95 115.71 1nnx s ARG 35 Ca 0.55 1.56 -0.23 0.00 0.00 0.00 0.00 55.73 57.61 1nnx s ARG 35 Cb -0.11 -1.95 -0.07 0.00 0.00 0.00 0.00 34.95 32.82 1nnx s ARG 35 CO 0.49 -1.18 1.25 -3.47 0.00 0.00 0.00 175.30 172.40 1nnx n ASP 36 N -1.98 2.31 -2.70 0.23 4.64 -1.26 -3.33 116.55 114.46 1nnx n ASP 36 Ca 0.12 1.01 -0.12 0.00 -1.38 0.00 0.00 54.79 54.42 1nnx n ASP 36 Cb 0.51 -1.51 0.06 0.00 -1.04 0.00 0.00 41.12 39.14 1nnx n ASP 36 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 1nnx n ASP 37 N -0.38 -2.21 -4.20 1.67 4.64 0.29 -4.96 116.55 111.40 1nnx n ASP 37 Ca 0.09 -0.44 -0.31 0.00 -1.38 0.00 0.00 54.79 52.76 1nnx n ASP 37 Cb 0.43 -3.73 -0.17 0.00 -1.04 0.00 0.00 41.12 36.60 1nnx n ASP 37 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 1nnx s THR 38 N -3.25 1.94 0.05 5.18 2.01 -1.21 -4.92 115.64 115.43 1nnx s THR 38 Ca 0.02 -0.96 -0.30 0.00 0.31 0.00 0.00 61.69 60.76 1nnx s THR 38 Cb -0.00 -1.67 -0.05 0.00 0.01 0.00 0.00 72.50 70.79 1nnx s THR 38 CO 0.51 0.53 1.10 0.86 -0.69 0.00 0.00 174.62 176.94 1nnx s TRP 39 N 0.30 3.54 0.07 4.92 -0.11 -1.26 -0.20 118.94 126.20 1nnx s TRP 39 Ca -0.16 1.49 0.00 0.00 1.22 0.00 0.00 56.10 58.65 1nnx s TRP 39 Cb -0.17 -3.29 -0.04 0.00 -1.50 0.00 0.00 33.47 28.48 1nnx s TRP 39 CO 0.07 -0.71 -0.05 0.54 -4.62 0.00 0.00 176.95 172.19 1nnx s VAL 40 N 0.93 0.41 -0.08 5.86 0.11 0.04 -4.90 120.40 122.78 1nnx s VAL 40 Ca 0.55 -1.75 0.03 0.00 -2.93 0.00 0.00 61.98 57.88 1nnx s VAL 40 Cb -0.26 -1.44 0.01 0.00 -1.53 0.00 0.00 36.38 33.16 1nnx s VAL 40 CO 0.29 -0.88 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.12 1nnx s THR 41 N -3.48 1.55 0.14 5.04 2.01 -1.26 -1.88 115.64 117.76 1nnx s THR 41 Ca 0.06 -0.72 0.07 0.00 0.31 0.00 0.00 61.69 61.41 1nnx s THR 41 Cb 0.05 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 71.15 1nnx s THR 41 CO -0.07 0.45 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.40 1nnx s LEU 42 N 0.54 2.44 -0.03 4.42 1.43 -0.41 -0.81 118.68 126.26 1nnx s LEU 42 Ca -0.16 -0.86 0.03 0.00 -1.03 0.00 0.00 54.13 52.10 1nnx s LEU 42 Cb -0.17 -0.62 0.00 0.00 0.03 0.00 0.00 46.19 45.44 1nnx s LEU 42 CO 0.06 -0.14 -0.10 -0.60 0.23 0.00 0.00 176.35 175.80 1nnx s ARG 43 N -2.90 1.14 0.00 1.70 3.52 -1.26 -1.10 118.95 120.04 1nnx s ARG 43 Ca 0.13 -0.35 0.00 0.00 -0.13 0.00 0.00 55.73 55.37 1nnx s ARG 43 Cb -0.04 -1.04 0.00 0.00 -1.56 0.00 0.00 34.95 32.31 1nnx s ARG 43 CO 0.04 0.12 0.00 0.41 -0.81 0.00 0.00 175.30 175.06 1nnx n GLY 44 N 3.33 -0.73 3.10 8.12 0.00 -0.43 -4.67 105.19 113.90 1nnx n GLY 44 Ca -0.19 -0.37 -0.21 0.00 0.00 0.00 0.00 46.02 45.25 1nnx n GLY 44 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nnx s ASN 45 N -4.00 1.56 -0.33 1.61 -0.87 0.03 -0.46 114.94 112.48 1nnx s ASN 45 Ca 0.00 -0.29 -0.23 0.00 -1.57 0.00 0.00 52.86 50.77 1nnx s ASN 45 Cb 0.00 -0.15 0.00 0.00 -0.02 0.00 0.00 41.25 41.08 1nnx s ASN 45 CO 0.00 0.13 0.76 -0.63 -2.57 0.00 0.00 177.10 174.79 1nnx s ILE 46 N -0.44 4.80 -0.53 0.60 1.09 -1.26 -0.27 121.20 125.18 1nnx s ILE 46 Ca 0.04 1.01 0.13 0.00 -1.10 0.00 0.00 60.65 60.73 1nnx s ILE 46 Cb -0.06 -4.14 -0.14 0.00 -1.06 0.00 0.00 42.46 37.05 1nnx s ILE 46 CO -0.00 -0.30 0.51 1.33 -0.10 0.00 0.00 174.94 176.38 1nnx n VAL 47 N 5.60 0.00 -3.58 2.92 0.24 -0.26 -3.54 118.33 119.72 1nnx n VAL 47 Ca 0.03 -0.21 -0.12 0.00 -2.04 0.00 0.00 64.34 61.99 1nnx n VAL 47 Cb 0.48 0.90 -0.06 0.00 -1.47 0.00 0.00 33.84 33.70 1nnx n VAL 47 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1nnx s GLU 48 N -2.28 0.70 -0.24 7.34 2.12 -1.24 -4.93 118.70 120.17 1nnx s GLU 48 Ca 0.04 0.34 -0.10 0.00 0.36 0.00 0.00 54.97 55.60 1nnx s GLU 48 Cb 0.09 0.33 -0.05 0.00 0.26 0.00 0.00 34.13 34.77 1nnx s GLU 48 CO 0.52 -0.18 0.16 0.50 -0.54 0.00 0.00 175.26 175.71 1nnx s ARG 49 N -0.71 4.05 0.01 4.30 3.52 -1.26 -0.40 118.95 128.46 1nnx s ARG 49 Ca -0.03 -0.28 0.19 0.00 -0.13 0.00 0.00 55.73 55.49 1nnx s ARG 49 Cb -0.02 -3.53 -0.19 0.00 -1.56 0.00 0.00 34.95 29.65 1nnx s ARG 49 CO 0.02 0.04 0.62 -0.89 -0.81 0.00 0.00 175.30 174.28 1nnx n ILE 50 N 4.34 0.80 -3.50 4.11 2.08 0.15 -4.96 119.36 122.38 1nnx n ILE 50 Ca -0.15 -0.65 0.00 0.00 0.56 0.00 0.00 62.75 62.51 1nnx n ILE 50 Cb 0.52 -0.41 0.00 0.00 -0.75 0.00 0.00 39.64 39.00 1nnx n ILE 50 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1nnx n SER 51 N -2.65 0.00 -4.65 4.38 3.41 -1.08 -4.99 113.62 108.04 1nnx n SER 51 Ca -0.11 -0.68 -0.42 0.00 -0.26 0.00 0.00 58.87 57.40 1nnx n SER 51 Cb 0.78 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.70 1nnx n SER 51 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1nnx s ASP 52 N -0.03 6.26 0.00 4.04 3.68 -1.26 -2.40 116.67 126.96 1nnx s ASP 52 Ca 0.00 2.49 0.00 0.00 2.13 0.00 0.00 52.55 57.17 1nnx s ASP 52 Cb 0.00 -2.53 0.00 0.00 -1.45 0.00 0.00 42.92 38.94 1nnx s ASP 52 CO 0.00 -1.23 0.00 0.47 0.13 0.00 0.00 175.17 174.54 1nnx n ASP 53 N 8.36 -0.28 -4.47 -0.34 8.00 -1.26 -4.97 116.55 121.59 1nnx n ASP 53 Ca 0.22 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.37 1nnx n ASP 53 Cb 0.42 -2.09 -0.12 0.00 -0.02 0.00 0.00 41.12 39.31 1nnx n ASP 53 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1nnx s LEU 54 N 0.00 3.31 0.18 0.64 2.96 -1.01 -1.05 118.68 123.71 1nnx s LEU 54 Ca 0.00 -0.17 0.07 0.00 -0.22 0.00 0.00 54.13 53.82 1nnx s LEU 54 Cb 0.00 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 1nnx s LEU 54 CO 0.00 0.09 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.67 1nnx s TYR 55 N 0.86 1.63 -0.23 5.38 2.02 -0.04 0.34 117.35 127.31 1nnx s TYR 55 Ca 0.01 -0.58 -0.10 0.00 -0.37 0.00 0.00 57.07 56.02 1nnx s TYR 55 Cb -0.14 -0.78 -0.05 0.00 -0.40 0.00 0.00 41.96 40.59 1nnx s TYR 55 CO 0.02 0.30 0.15 0.08 -1.57 0.00 0.00 175.55 174.53 1nnx s VAL 56 N -2.84 5.34 -0.13 0.71 1.01 0.47 -0.56 120.40 124.41 1nnx s VAL 56 Ca 0.20 0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.33 1nnx s VAL 56 Cb -0.01 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 1nnx s VAL 56 CO 0.06 0.36 -0.07 0.12 0.00 0.00 0.00 175.10 175.57 1nnx s PHE 57 N 0.93 2.94 -0.03 5.22 5.36 0.21 -1.10 117.98 131.52 1nnx s PHE 57 Ca 0.07 -0.30 0.04 0.00 -0.96 0.00 0.00 56.93 55.78 1nnx s PHE 57 Cb -0.13 -1.86 -0.01 0.00 -0.34 0.00 0.00 43.02 40.68 1nnx s PHE 57 CO 0.03 0.01 -0.15 0.21 -1.46 0.00 0.00 175.22 173.86 1nnx s LYS 58 N 0.05 1.44 0.42 10.12 2.20 0.62 -1.06 119.74 133.53 1nnx s LYS 58 Ca -0.02 -0.55 0.04 0.00 -0.36 0.00 0.00 55.97 55.09 1nnx s LYS 58 Cb -0.14 -1.32 -0.02 0.00 -1.51 0.00 0.00 37.83 34.85 1nnx s LYS 58 CO 0.03 0.27 0.15 -0.40 -0.36 0.00 0.00 175.35 175.04 1nnx n ASP 59 N 2.95 1.28 0.34 1.43 5.68 -0.59 -0.79 116.55 126.85 1nnx n ASP 59 Ca -0.16 -3.23 0.22 0.00 -0.50 0.00 0.00 54.79 51.12 1nnx n ASP 59 Cb 0.54 1.04 1.19 0.00 -1.14 0.00 0.00 41.12 42.75 1nnx n ASP 59 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1nnx h ALA 60 N 1.68 1.04 0.00 2.12 0.00 -2.01 -2.88 119.26 119.22 1nnx h ALA 60 Ca -0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1nnx h ALA 60 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1nnx h ALA 60 CO 0.52 -0.02 -1.02 -1.13 0.00 0.00 0.00 179.25 177.60 1nnx n SER 61 N -3.10 0.64 0.00 0.00 3.41 -1.26 -5.07 113.62 108.25 1nnx n SER 61 Ca -0.03 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1nnx n SER 61 Cb 0.09 0.67 0.00 0.00 -0.26 0.00 0.00 64.21 64.71 1nnx n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nnx n GLY 62 N 1.30 -1.99 3.32 5.00 0.00 -1.09 -4.46 105.19 107.27 1nnx n GLY 62 Ca 0.01 -1.25 -0.21 0.00 0.00 0.00 0.00 46.02 44.58 1nnx n GLY 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nnx s THR 63 N -2.58 1.74 -0.01 2.61 -4.23 -1.26 -1.54 115.64 110.38 1nnx s THR 63 Ca 0.00 -1.92 -0.18 0.00 -1.18 0.00 0.00 61.69 58.41 1nnx s THR 63 Cb 0.00 -1.82 0.03 0.00 1.34 0.00 0.00 72.50 72.05 1nnx s THR 63 CO 0.00 -0.36 0.39 -0.51 -0.54 0.00 0.00 174.62 173.60 1nnx s ILE 64 N -2.16 0.05 0.21 2.99 2.07 -0.23 -4.94 121.20 119.19 1nnx s ILE 64 Ca 0.15 -0.41 -0.23 0.00 -1.41 0.00 0.00 60.65 58.76 1nnx s ILE 64 Cb -0.05 -0.76 -0.08 0.00 0.13 0.00 0.00 42.46 41.70 1nnx s ILE 64 CO 0.06 -0.23 0.77 0.20 -1.91 0.00 0.00 174.94 173.83 1nnx s ASN 65 N -1.47 7.23 -0.01 4.50 0.01 -1.26 -0.62 114.94 123.31 1nnx s ASN 65 Ca -0.11 1.56 0.04 0.00 -0.71 0.00 0.00 52.86 53.63 1nnx s ASN 65 Cb -0.03 -2.47 -0.01 0.00 0.41 0.00 0.00 41.25 39.15 1nnx s ASN 65 CO 0.04 0.10 -0.13 0.68 -1.51 0.00 0.00 177.10 176.28 1nnx s VAL 66 N -1.37 0.99 -0.32 1.60 -7.23 0.28 -1.75 120.40 112.60 1nnx s VAL 66 Ca 0.41 -0.53 -0.12 0.00 -1.81 0.00 0.00 61.98 59.92 1nnx s VAL 66 Cb -0.20 -0.83 -0.03 0.00 0.56 0.00 0.00 36.38 35.89 1nnx s VAL 66 CO 0.23 0.28 0.21 -0.62 -0.31 0.00 0.00 175.10 174.90 1nnx s ASP 67 N -0.27 5.97 -0.27 4.85 3.68 0.33 -0.86 116.67 130.09 1nnx s ASP 67 Ca 0.04 -0.31 0.02 0.00 2.13 0.00 0.00 52.55 54.43 1nnx s ASP 67 Cb -0.05 -2.11 0.08 0.00 -1.45 0.00 0.00 42.92 39.38 1nnx s ASP 67 CO -0.00 -0.17 -0.01 -0.63 0.13 0.00 0.00 175.17 174.48 1nnx s ILE 68 N 1.72 1.71 0.64 4.11 1.01 -0.22 -1.23 121.20 128.94 1nnx s ILE 68 Ca 0.06 -1.58 -0.17 0.00 0.00 0.00 0.00 60.65 58.96 1nnx s ILE 68 Cb -0.17 -2.06 -0.01 0.00 0.01 0.00 0.00 42.46 40.23 1nnx s ILE 68 CO 0.10 -0.30 1.17 -0.62 0.00 0.00 0.00 174.94 175.29 1nnx s ASP 69 N 1.27 4.98 0.36 3.58 2.15 -1.26 -4.55 116.67 123.19 1nnx s ASP 69 Ca 0.00 2.25 0.13 0.00 0.43 0.00 0.00 52.55 55.36 1nnx s ASP 69 Cb -0.19 -2.58 0.96 0.00 -0.30 0.00 0.00 42.92 40.81 1nnx s ASP 69 CO -0.09 -1.73 1.78 0.45 -0.17 0.00 0.00 175.17 175.41 1nnx h HIS 70 N 0.40 0.82 0.00 -5.34 3.86 -1.99 -0.55 115.15 112.35 1nnx h HIS 70 Ca -0.49 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.75 1nnx h HIS 70 Cb 1.28 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 29.51 1nnx h HIS 70 CO 0.49 0.13 0.00 0.36 0.86 0.00 0.00 177.93 179.77 1nnx n LYS 71 N -4.70 0.01 0.19 2.45 2.85 -1.26 -2.97 118.16 114.74 1nnx n LYS 71 Ca 0.24 0.28 0.13 0.00 -1.05 0.00 0.00 58.31 57.91 1nnx n LYS 71 Cb 0.74 -1.51 0.30 0.00 -0.65 0.00 0.00 35.03 33.91 1nnx n LYS 71 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1nnx h ARG 72 N 0.00 0.00 -0.37 -1.58 2.47 -1.45 -3.32 114.38 110.13 1nnx h ARG 72 Ca 0.00 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.61 1nnx h ARG 72 Cb 0.23 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.54 1nnx h ARG 72 CO 0.00 0.00 -0.24 -1.49 0.56 0.00 0.00 179.97 178.80 1nnx h TRP 73 N 0.00 0.84 -6.46 3.04 4.06 -1.71 -3.41 115.95 112.31 1nnx h TRP 73 Ca 0.00 -0.19 -0.49 0.00 2.06 0.00 0.00 58.89 60.26 1nnx h TRP 73 Cb 0.85 -0.20 -0.07 0.00 -1.00 0.00 0.00 29.16 28.75 1nnx h TRP 73 CO 0.00 0.90 -0.85 0.09 -3.56 0.00 0.00 178.44 175.02 1nnx n ASN 74 N -4.11 -1.74 0.00 -3.49 3.02 -1.25 -1.77 115.26 105.92 1nnx n ASN 74 Ca -0.00 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.60 1nnx n ASN 74 Cb 0.44 -3.27 0.00 0.00 -0.61 0.00 0.00 39.78 36.33 1nnx n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nnx n GLY 75 N -1.76 2.50 3.73 7.41 0.00 -1.26 -5.01 105.19 110.79 1nnx n GLY 75 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 1nnx n GLY 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nnx s VAL 76 N -3.02 4.93 -0.18 1.61 1.01 -0.73 -5.05 120.40 118.97 1nnx s VAL 76 Ca 0.00 1.57 -0.07 0.00 0.00 0.00 0.00 61.98 63.48 1nnx s VAL 76 Cb 0.00 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 1nnx s VAL 76 CO 0.00 0.28 0.04 -0.89 0.00 0.00 0.00 175.10 174.53 1nnx s THR 77 N 0.53 4.58 -0.06 3.92 2.01 -1.26 -4.89 115.64 120.47 1nnx s THR 77 Ca 0.39 -0.11 0.06 0.00 0.31 0.00 0.00 61.69 62.34 1nnx s THR 77 Cb -0.19 -3.05 -0.01 0.00 0.01 0.00 0.00 72.50 69.26 1nnx s THR 77 CO 0.21 0.47 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.67 1nnx s VAL 78 N 0.38 2.09 0.43 3.82 1.01 -1.26 -5.08 120.40 121.78 1nnx s VAL 78 Ca 0.01 -1.06 0.05 0.00 0.00 0.00 0.00 61.98 60.99 1nnx s VAL 78 Cb -0.13 -1.75 -0.06 0.00 0.00 0.00 0.00 36.38 34.44 1nnx s VAL 78 CO 0.01 0.57 0.02 0.42 0.00 0.00 0.00 175.10 176.12 1nnx s THR 79 N -0.19 1.61 0.61 3.92 -4.23 -1.26 -5.03 115.64 111.07 1nnx s THR 79 Ca -0.03 -2.00 0.35 0.00 -1.18 0.00 0.00 61.69 58.83 1nnx s THR 79 Cb -0.14 -2.72 0.39 0.00 1.34 0.00 0.00 72.50 71.37 1nnx s THR 79 CO 0.03 0.00 2.30 -0.65 -0.54 0.00 0.00 174.62 175.76 1nnx h PRO 80 N 1.70 0.00 0.00 3.99 0.11 -1.92 -2.07 132.00 133.81 1nnx h PRO 80 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1nnx h PRO 80 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1nnx h PRO 80 CO 0.77 0.00 0.00 1.57 -0.21 0.00 0.00 178.00 180.13 1nnx h LYS 81 N 0.00 0.00 -6.43 1.05 2.10 -1.96 -3.43 116.57 107.91 1nnx h LYS 81 Ca -0.00 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 58.11 1nnx h LYS 81 Cb 0.01 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.33 1nnx h LYS 81 CO 0.00 0.00 0.53 -0.51 -2.00 0.00 0.00 179.45 177.47 1nnx s ASP 82 N -5.16 7.16 0.08 7.07 -0.00 -0.78 -5.01 116.67 120.03 1nnx s ASP 82 Ca 0.09 1.87 -0.29 0.00 -0.00 0.00 0.00 52.55 54.22 1nnx s ASP 82 Cb 0.10 -2.57 -0.05 0.00 -0.00 0.00 0.00 42.92 40.39 1nnx s ASP 82 CO 0.62 -0.43 0.93 -0.89 -0.00 0.00 0.00 175.17 175.40 1nnx s THR 83 N 1.27 4.59 0.10 -1.27 2.01 -1.26 -4.53 115.64 116.55 1nnx s THR 83 Ca 0.56 2.00 0.06 0.00 0.31 0.00 0.00 61.69 64.62 1nnx s THR 83 Cb -0.26 -4.29 -0.03 0.00 0.01 0.00 0.00 72.50 67.93 1nnx s THR 83 CO 0.27 0.30 -0.15 0.68 -0.69 0.00 0.00 174.62 175.04 1nnx s VAL 84 N 0.14 1.26 -0.16 3.82 -7.23 0.39 -0.49 120.40 118.14 1nnx s VAL 84 Ca 0.46 -1.54 -0.04 0.00 -1.81 0.00 0.00 61.98 59.05 1nnx s VAL 84 Cb -0.23 -1.35 -0.03 0.00 0.56 0.00 0.00 36.38 35.34 1nnx s VAL 84 CO 0.28 -0.32 -0.02 -1.61 -0.31 0.00 0.00 175.10 173.12 1nnx s GLU 85 N -2.25 3.72 0.06 4.82 2.02 0.65 -1.32 118.70 126.41 1nnx s GLU 85 Ca 0.04 -0.49 0.09 0.00 0.02 0.00 0.00 54.97 54.63 1nnx s GLU 85 Cb -0.07 -2.96 -0.03 0.00 0.10 0.00 0.00 34.13 31.17 1nnx s GLU 85 CO 0.03 0.25 -0.26 0.96 0.02 0.00 0.00 175.26 176.26 1nnx s ILE 86 N 0.35 2.24 -0.02 -1.63 -4.36 -0.26 -1.35 121.20 116.17 1nnx s ILE 86 Ca -0.03 -1.43 0.04 0.00 -0.26 0.00 0.00 60.65 58.97 1nnx s ILE 86 Cb -0.14 -1.90 -0.01 0.00 1.25 0.00 0.00 42.46 41.66 1nnx s ILE 86 CO 0.03 0.32 -0.13 -1.10 0.24 0.00 0.00 174.94 174.29 1nnx s GLN 87 N -1.40 1.16 0.00 0.37 -0.21 -0.66 -1.29 119.66 117.63 1nnx s GLN 87 Ca 0.12 -0.47 0.00 0.00 0.02 0.00 0.00 55.36 55.04 1nnx s GLN 87 Cb -0.10 -1.10 0.00 0.00 1.00 0.00 0.00 33.01 32.81 1nnx s GLN 87 CO 0.03 0.25 0.00 0.41 -2.12 0.00 0.00 175.29 173.86 1nnx n GLY 88 N 2.90 -0.86 3.61 3.09 0.00 -0.79 0.05 105.19 113.20 1nnx n GLY 88 Ca -0.15 -0.82 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 1nnx n GLY 88 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nnx s GLU 89 N -0.59 2.91 0.05 1.61 8.01 -0.78 -0.78 118.70 129.13 1nnx s GLU 89 Ca 0.00 -0.50 -0.31 0.00 0.01 0.00 0.00 54.97 54.18 1nnx s GLU 89 Cb 0.00 -2.69 -0.07 0.00 -4.31 0.00 0.00 34.13 27.06 1nnx s GLU 89 CO 0.00 0.64 1.45 0.08 0.01 0.00 0.00 175.26 177.44 1nnx s VAL 90 N -0.74 3.47 -0.31 2.63 1.01 0.72 -0.72 120.40 126.45 1nnx s VAL 90 Ca 0.11 0.93 -0.00 0.00 0.00 0.00 0.00 61.98 63.03 1nnx s VAL 90 Cb -0.11 -3.60 0.07 0.00 0.00 0.00 0.00 36.38 32.73 1nnx s VAL 90 CO 0.02 0.02 0.01 -0.62 0.00 0.00 0.00 175.10 174.53 1nnx s ASP 91 N 1.76 4.83 -0.09 3.32 -1.08 0.28 -0.54 116.67 125.15 1nnx s ASP 91 Ca 0.66 -1.54 0.03 0.00 -0.52 0.00 0.00 52.55 51.18 1nnx s ASP 91 Cb -0.34 -1.68 0.01 0.00 -1.46 0.00 0.00 42.92 39.44 1nnx s ASP 91 CO 0.29 -0.30 -0.18 -0.75 0.52 0.00 0.00 175.17 174.74 1nnx s LYS 92 N 1.15 2.44 0.46 4.34 2.20 -1.26 -1.38 119.74 127.69 1nnx s LYS 92 Ca -0.02 -0.66 0.02 0.00 -0.36 0.00 0.00 55.97 54.95 1nnx s LYS 92 Cb -0.20 -1.94 -0.01 0.00 -1.51 0.00 0.00 37.83 34.18 1nnx s LYS 92 CO -0.03 0.07 0.08 -0.25 -0.36 0.00 0.00 175.35 174.85 1nnx n ASP 93 N 3.79 2.28 0.26 1.43 9.92 -0.10 -4.69 116.55 129.43 1nnx n ASP 93 Ca -0.20 -3.20 0.12 0.00 -0.53 0.00 0.00 54.79 50.97 1nnx n ASP 93 Cb 0.52 0.71 0.75 0.00 -0.64 0.00 0.00 41.12 42.46 1nnx n ASP 93 CO 0.00 0.00 0.00 4.11 0.13 0.00 0.00 177.20 181.44 1nnx h TRP 94 N 1.47 0.00 -0.09 1.24 5.08 -2.06 -2.92 115.95 118.67 1nnx h TRP 94 Ca -0.37 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.60 1nnx h TRP 94 Cb 1.25 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.41 1nnx h TRP 94 CO 0.00 0.00 0.00 0.27 -1.28 0.00 0.00 178.44 177.43 1nnx n ASN 95 N -4.25 2.05 -3.49 0.11 6.94 -1.26 -5.06 115.26 110.30 1nnx n ASN 95 Ca -0.02 -1.75 -0.09 0.00 -0.02 0.00 0.00 54.58 52.70 1nnx n ASN 95 Cb 0.13 -0.06 -0.02 0.00 -2.36 0.00 0.00 39.78 37.47 1nnx n ASN 95 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1nnx s SER 96 N -0.80 -0.42 -0.01 0.53 1.04 -1.10 -5.14 113.70 107.80 1nnx s SER 96 Ca 0.08 -0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.50 1nnx s SER 96 Cb 0.04 0.46 -0.00 0.00 0.10 0.00 0.00 66.02 66.62 1nnx s SER 96 CO 0.06 -0.74 -0.05 0.54 0.98 0.00 0.00 173.24 174.03 1nnx s VAL 97 N -3.32 0.37 0.20 5.02 0.11 -1.26 -0.92 120.40 120.59 1nnx s VAL 97 Ca 0.04 -0.19 -0.14 0.00 -2.93 0.00 0.00 61.98 58.76 1nnx s VAL 97 Cb -0.01 -0.32 0.01 0.00 -1.53 0.00 0.00 36.38 34.53 1nnx s VAL 97 CO -0.10 0.11 0.45 -1.83 -3.33 0.00 0.00 175.10 170.40 1nnx s GLU 98 N -0.05 1.35 -0.18 1.54 -1.05 -0.48 -4.38 118.70 115.45 1nnx s GLU 98 Ca 0.01 -1.02 -0.05 0.00 -0.15 0.00 0.00 54.97 53.76 1nnx s GLU 98 Cb -0.03 0.47 -0.03 0.00 -0.44 0.00 0.00 34.13 34.11 1nnx s GLU 98 CO -0.00 -0.55 0.00 0.42 0.95 0.00 0.00 175.26 176.08 1nnx s ILE 99 N -3.93 4.16 -0.45 1.83 -1.09 -0.72 -0.55 121.20 120.45 1nnx s ILE 99 Ca 0.14 -0.25 -0.21 0.00 -2.23 0.00 0.00 60.65 58.09 1nnx s ILE 99 Cb 0.00 -2.86 0.03 0.00 -1.58 0.00 0.00 42.46 38.05 1nnx s ILE 99 CO 0.00 0.46 0.66 -0.62 -1.23 0.00 0.00 174.94 174.21 1nnx s ASP 100 N 0.59 6.32 -0.11 3.58 -1.08 0.10 -0.51 116.67 125.56 1nnx s ASP 100 Ca -0.00 -0.39 -0.28 0.00 -0.52 0.00 0.00 52.55 51.36 1nnx s ASP 100 Cb -0.14 -2.32 -0.02 0.00 -1.46 0.00 0.00 42.92 38.98 1nnx s ASP 100 CO 0.02 -0.82 0.93 -0.69 0.52 0.00 0.00 175.17 175.14 1nnx s VAL 101 N 2.88 4.84 -0.13 1.11 1.01 -0.36 -1.86 120.40 127.89 1nnx s VAL 101 Ca 0.23 1.89 0.19 0.00 0.00 0.00 0.00 61.98 64.29 1nnx s VAL 101 Cb -0.14 -4.25 -0.20 0.00 0.00 0.00 0.00 36.38 31.78 1nnx s VAL 101 CO 0.18 0.05 0.58 0.29 0.00 0.00 0.00 175.10 176.20 1nnx n LYS 102 N 4.85 0.65 -3.69 2.72 4.76 0.11 -4.70 118.16 122.85 1nnx n LYS 102 Ca 0.07 0.05 -0.12 0.00 -2.87 0.00 0.00 58.31 55.43 1nnx n LYS 102 Cb 0.49 -1.67 -0.09 0.00 -1.84 0.00 0.00 35.03 31.92 1nnx n LYS 102 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1nnx s GLN 103 N -3.01 0.56 -0.05 1.97 0.74 -1.03 -4.96 119.66 113.89 1nnx s GLN 103 Ca -0.06 0.76 0.02 0.00 0.05 0.00 0.00 55.36 56.13 1nnx s GLN 103 Cb 0.09 0.22 0.02 0.00 1.10 0.00 0.00 33.01 34.44 1nnx s GLN 103 CO 0.84 -0.09 -0.07 -1.50 -0.55 0.00 0.00 175.29 173.91 1nnx s ILE 104 N 0.59 0.73 0.02 -2.34 2.07 -1.26 -1.65 121.20 119.36 1nnx s ILE 104 Ca -0.03 -0.25 0.01 0.00 -1.41 0.00 0.00 60.65 58.97 1nnx s ILE 104 Cb -0.05 -0.71 -0.01 0.00 0.13 0.00 0.00 42.46 41.82 1nnx s ILE 104 CO -0.03 0.26 -0.04 0.00 -1.91 0.00 0.00 174.94 173.22 1nnx s ARG 105 N 0.75 0.34 0.41 3.50 1.70 -0.46 -4.95 118.95 120.24 1nnx s ARG 105 Ca -0.12 -0.46 -0.23 0.00 -0.47 0.00 0.00 55.73 54.45 1nnx s ARG 105 Cb -0.14 -0.12 -0.10 0.00 -0.57 0.00 0.00 34.95 34.02 1nnx s ARG 105 CO 0.01 0.02 1.00 0.15 -1.08 0.00 0.00 175.30 175.41 1nnx s LYS 106 N -0.98 4.18 0.00 3.89 1.02 -1.26 -0.25 119.74 126.33 1nnx s LYS 106 Ca -0.08 1.35 0.00 0.00 0.02 0.00 0.00 55.97 57.26 1nnx s LYS 106 Cb -0.07 -2.40 0.00 0.00 -0.52 0.00 0.00 37.83 34.84 1nnx s LYS 106 CO -0.00 -0.10 0.00 1.33 -0.92 0.00 0.00 175.35 175.66