#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xx8 n VAL 2 N 0.00 -0.53 -2.59 1.12 3.14 -1.26 -5.12 118.33 113.08 1xx8 n VAL 2 Ca 0.00 -2.06 0.00 0.00 -2.96 0.00 0.00 64.34 59.32 1xx8 n VAL 2 Cb 0.00 -0.15 0.00 0.00 -1.06 0.00 0.00 33.84 32.63 1xx8 n VAL 2 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1xx8 n LYS 3 N 2.88 2.79 -3.46 1.45 5.02 -1.26 -4.33 118.16 121.25 1xx8 n LYS 3 Ca 0.23 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 56.14 1xx8 n LYS 3 Cb 0.53 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.45 1xx8 n LYS 3 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1xx8 s VAL 4 N 1.32 5.24 -0.74 -0.18 1.01 -1.24 -4.75 120.40 121.06 1xx8 s VAL 4 Ca 0.00 0.53 0.01 0.00 0.00 0.00 0.00 61.98 62.52 1xx8 s VAL 4 Cb 0.00 -3.66 0.36 0.00 0.00 0.00 0.00 36.38 33.08 1xx8 s VAL 4 CO 0.00 0.26 1.66 0.29 0.00 0.00 0.00 175.10 177.31 1xx8 n LYS 5 N 4.62 3.37 -0.29 2.72 4.01 -1.26 -1.00 118.16 130.33 1xx8 n LYS 5 Ca -0.10 -4.07 -0.30 0.00 -0.51 0.00 0.00 58.31 53.34 1xx8 n LYS 5 Cb 0.51 -2.29 0.28 0.00 -0.51 0.00 0.00 35.03 33.02 1xx8 n LYS 5 CO 0.00 0.00 0.00 1.97 -1.11 0.00 0.00 177.40 178.26 1xx8 n PHE 6 N -0.43 -3.23 -4.95 2.13 -1.74 -0.93 -4.53 117.46 103.77 1xx8 n PHE 6 Ca 0.47 -0.64 -0.32 0.00 -0.56 0.00 0.00 57.45 56.39 1xx8 n PHE 6 Cb 0.37 -1.41 -0.15 0.00 1.52 0.00 0.00 39.48 39.80 1xx8 n PHE 6 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 1xx8 s LYS 7 N -4.83 3.00 -0.01 3.97 3.01 -1.26 -0.68 119.74 122.95 1xx8 s LYS 7 Ca 0.66 -0.76 -0.01 0.00 -1.01 0.00 0.00 55.97 54.86 1xx8 s LYS 7 Cb -0.15 -2.45 0.00 0.00 -1.01 0.00 0.00 37.83 34.23 1xx8 s LYS 7 CO 0.57 0.33 0.02 -0.47 0.51 0.00 0.00 175.35 176.31 1xx8 s TYR 8 N 0.03 -0.00 -1.49 3.18 5.04 0.84 -4.11 117.35 120.84 1xx8 s TYR 8 Ca -0.06 0.01 -0.06 0.00 -2.44 0.00 0.00 57.07 54.52 1xx8 s TYR 8 Cb -0.15 -0.01 0.01 0.00 0.35 0.00 0.00 41.96 42.16 1xx8 s TYR 8 CO 0.05 -0.03 0.14 0.36 -1.34 0.00 0.00 175.55 174.73 1xx8 n LYS 9 N 2.95 -0.96 -0.78 4.97 -0.00 -1.26 -0.07 118.16 123.01 1xx8 n LYS 9 Ca -0.13 0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 1xx8 n LYS 9 Cb 0.59 -3.46 0.00 0.00 -0.00 0.00 0.00 35.03 32.17 1xx8 n LYS 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1xx8 n GLY 10 N -2.47 0.26 3.43 2.58 0.00 -1.26 -4.96 105.19 102.76 1xx8 n GLY 10 Ca -0.29 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.50 1xx8 n GLY 10 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xx8 s GLU 11 N -0.94 1.56 -0.17 1.61 2.12 0.90 -5.10 118.70 118.68 1xx8 s GLU 11 Ca 0.00 -1.68 -0.28 0.00 0.36 0.00 0.00 54.97 53.37 1xx8 s GLU 11 Cb 0.00 -1.59 -0.01 0.00 0.26 0.00 0.00 34.13 32.79 1xx8 s GLU 11 CO 0.00 0.30 0.95 -1.21 -0.54 0.00 0.00 175.26 174.76 1xx8 s GLU 12 N -3.43 4.33 -0.02 4.30 2.02 -1.26 -0.12 118.70 124.52 1xx8 s GLU 12 Ca 0.27 1.25 0.01 0.00 0.02 0.00 0.00 54.97 56.51 1xx8 s GLU 12 Cb -0.04 -3.58 0.01 0.00 0.10 0.00 0.00 34.13 30.62 1xx8 s GLU 12 CO 0.12 -0.42 -0.03 0.21 0.02 0.00 0.00 175.26 175.16 1xx8 s LYS 13 N 2.43 0.49 -0.03 1.61 2.20 0.15 -4.91 119.74 121.68 1xx8 s LYS 13 Ca 0.43 -0.08 -0.02 0.00 -0.36 0.00 0.00 55.97 55.94 1xx8 s LYS 13 Cb -0.17 -0.53 -0.04 0.00 -1.51 0.00 0.00 37.83 35.58 1xx8 s LYS 13 CO 0.12 -0.01 0.12 -1.83 -0.36 0.00 0.00 175.35 173.38 1xx8 s GLU 14 N 0.49 3.23 -0.13 4.03 1.03 -1.26 -2.18 118.70 123.91 1xx8 s GLU 14 Ca -0.05 -0.38 0.01 0.00 0.03 0.00 0.00 54.97 54.58 1xx8 s GLU 14 Cb -0.09 -2.98 -0.00 0.00 -0.80 0.00 0.00 34.13 30.26 1xx8 s GLU 14 CO -0.00 0.68 -0.17 0.54 -1.33 0.00 0.00 175.26 174.97 1xx8 s VAL 15 N -1.19 2.59 0.65 1.83 0.11 -0.17 -4.99 120.40 119.23 1xx8 s VAL 15 Ca 0.22 -0.81 -0.11 0.00 -2.93 0.00 0.00 61.98 58.35 1xx8 s VAL 15 Cb -0.12 -2.06 -0.02 0.00 -1.53 0.00 0.00 36.38 32.64 1xx8 s VAL 15 CO 0.13 0.53 1.05 -0.62 -3.33 0.00 0.00 175.10 172.86 1xx8 s ASP 16 N 0.57 5.96 0.40 3.54 -1.08 -1.26 -3.67 116.67 121.13 1xx8 s ASP 16 Ca -0.10 1.39 0.19 0.00 -0.52 0.00 0.00 52.55 53.51 1xx8 s ASP 16 Cb -0.16 -2.37 0.81 0.00 -1.46 0.00 0.00 42.92 39.74 1xx8 s ASP 16 CO 0.04 -1.04 1.81 0.71 0.52 0.00 0.00 175.17 177.20 1xx8 h THR 17 N -0.44 0.90 -0.25 1.71 1.35 -1.99 -1.99 112.91 112.19 1xx8 h THR 17 Ca -0.44 -1.32 -0.16 0.00 -0.55 0.00 0.00 66.41 63.94 1xx8 h THR 17 Cb 1.20 1.79 -0.08 0.00 -1.73 0.00 0.00 68.15 69.34 1xx8 h THR 17 CO 0.62 0.33 0.20 -0.24 -0.25 0.00 0.00 175.52 176.18 1xx8 n SER 18 N -3.65 4.95 -1.38 5.36 2.88 -1.26 -3.87 113.62 116.65 1xx8 n SER 18 Ca -0.01 -2.63 -0.05 0.00 -1.33 0.00 0.00 58.87 54.85 1xx8 n SER 18 Cb 0.45 -0.91 -0.02 0.00 -0.75 0.00 0.00 64.21 62.97 1xx8 n SER 18 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1xx8 n LYS 19 N 0.60 0.30 -4.70 -1.46 5.02 -0.75 -4.92 118.16 112.25 1xx8 n LYS 19 Ca 0.16 -1.12 -0.26 0.00 -2.02 0.00 0.00 58.31 55.07 1xx8 n LYS 19 Cb 0.63 0.43 -0.17 0.00 -0.02 0.00 0.00 35.03 35.91 1xx8 n LYS 19 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1xx8 s ILE 20 N -0.02 1.29 -0.02 -0.18 -1.16 -1.25 0.10 121.20 119.96 1xx8 s ILE 20 Ca 0.04 -0.57 -0.02 0.00 -0.51 0.00 0.00 60.65 59.59 1xx8 s ILE 20 Cb 0.11 -1.16 -0.01 0.00 0.61 0.00 0.00 42.46 42.02 1xx8 s ILE 20 CO -0.03 0.39 -0.03 1.17 -2.81 0.00 0.00 174.94 173.62 1xx8 n LYS 21 N 3.72 0.05 -4.00 3.50 4.81 0.68 -4.78 118.16 122.13 1xx8 n LYS 21 Ca -0.22 0.05 -0.12 0.00 -0.87 0.00 0.00 58.31 57.15 1xx8 n LYS 21 Cb 0.52 -0.62 -0.13 0.00 0.02 0.00 0.00 35.03 34.83 1xx8 n LYS 21 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1xx8 s LYS 22 N -1.18 0.30 -0.03 1.64 2.20 -1.19 -4.97 119.74 116.50 1xx8 s LYS 22 Ca -0.03 -0.41 0.04 0.00 -0.36 0.00 0.00 55.97 55.21 1xx8 s LYS 22 Cb 0.00 -0.11 -0.00 0.00 -1.51 0.00 0.00 37.83 36.21 1xx8 s LYS 22 CO 0.04 0.02 -0.14 0.54 -0.36 0.00 0.00 175.35 175.45 1xx8 s VAL 23 N -0.81 1.15 -0.02 4.02 0.11 -1.26 -0.02 120.40 123.56 1xx8 s VAL 23 Ca -0.07 -0.58 -0.00 0.00 -2.93 0.00 0.00 61.98 58.40 1xx8 s VAL 23 Cb -0.06 -0.99 0.02 0.00 -1.53 0.00 0.00 36.38 33.82 1xx8 s VAL 23 CO -0.00 0.34 0.04 0.00 -3.33 0.00 0.00 175.10 172.14 1xx8 s ALA 24 N 0.01 0.01 -0.03 1.54 0.00 0.70 -4.99 121.76 119.00 1xx8 s ALA 24 Ca -0.02 0.26 -0.17 0.00 0.00 0.00 0.00 51.96 52.03 1xx8 s ALA 24 Cb -0.09 -0.20 -0.05 0.00 0.00 0.00 0.00 23.12 22.77 1xx8 s ALA 24 CO 0.01 -0.08 0.47 0.50 0.00 0.00 0.00 175.76 176.66 1xx8 s ARG 25 N 0.75 4.14 0.00 0.00 3.52 -1.26 -1.80 118.95 124.30 1xx8 s ARG 25 Ca -0.06 0.51 0.00 0.00 -0.13 0.00 0.00 55.73 56.05 1xx8 s ARG 25 Cb -0.09 -3.31 0.00 0.00 -1.56 0.00 0.00 34.95 30.00 1xx8 s ARG 25 CO -0.02 0.48 0.00 0.28 -0.81 0.00 0.00 175.30 175.23 1xx8 n VAL 26 N 2.49 0.00 0.00 7.11 0.31 -1.23 -4.96 118.33 122.05 1xx8 n VAL 26 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1xx8 n VAL 26 Cb 0.52 -0.88 0.00 0.00 -0.91 0.00 0.00 33.84 32.57 1xx8 n VAL 26 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xx8 n GLY 27 N 2.79 0.05 0.00 2.92 0.00 -1.26 -4.97 105.19 104.73 1xx8 n GLY 27 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1xx8 n GLY 27 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xx8 n LYS 28 N -1.74 4.27 -1.47 1.61 4.81 -1.26 -5.05 118.16 119.33 1xx8 n LYS 28 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.41 1xx8 n LYS 28 Cb 0.00 -0.36 0.01 0.00 0.02 0.00 0.00 35.03 34.70 1xx8 n LYS 28 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1xx8 n MET 29 N 0.00 1.08 -3.76 1.64 0.00 -1.26 -1.33 117.12 113.48 1xx8 n MET 29 Ca 0.00 -0.48 -0.15 0.00 0.00 0.00 0.00 57.70 57.08 1xx8 n MET 29 Cb 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 33.22 33.06 1xx8 n MET 29 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1xx8 s VAL 30 N 0.19 -0.06 -0.24 3.17 1.01 -0.69 -3.49 120.40 120.30 1xx8 s VAL 30 Ca 0.08 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1xx8 s VAL 30 Cb -0.01 -0.12 0.04 0.00 0.00 0.00 0.00 36.38 36.29 1xx8 s VAL 30 CO 0.05 0.09 -0.11 -0.44 0.00 0.00 0.00 175.10 174.68 1xx8 s SER 31 N 1.10 4.07 0.08 3.32 0.01 -0.74 -3.90 113.70 117.63 1xx8 s SER 31 Ca -0.09 -0.98 -0.01 0.00 1.31 0.00 0.00 55.95 56.18 1xx8 s SER 31 Cb -0.13 -1.59 -0.04 0.00 0.21 0.00 0.00 66.02 64.48 1xx8 s SER 31 CO -0.04 -0.12 0.01 0.72 0.41 0.00 0.00 173.24 174.22 1xx8 s PHE 32 N 1.25 0.61 0.09 2.43 -0.71 -1.24 -0.21 117.98 120.19 1xx8 s PHE 32 Ca -0.01 -1.10 0.09 0.00 -1.04 0.00 0.00 56.93 54.87 1xx8 s PHE 32 Cb -0.17 -0.40 -0.03 0.00 -1.21 0.00 0.00 43.02 41.21 1xx8 s PHE 32 CO -0.07 -0.43 -0.24 0.95 -1.34 0.00 0.00 175.22 174.09 1xx8 s THR 33 N -3.96 1.99 0.09 -4.49 -4.23 0.97 -3.26 115.64 102.75 1xx8 s THR 33 Ca 0.12 -1.54 0.04 0.00 -1.18 0.00 0.00 61.69 59.14 1xx8 s THR 33 Cb 0.08 -1.76 -0.03 0.00 1.34 0.00 0.00 72.50 72.13 1xx8 s THR 33 CO -0.06 0.12 -0.11 -0.72 -0.54 0.00 0.00 174.62 173.31 1xx8 s TYR 34 N -0.99 1.08 -0.42 3.99 1.13 -1.23 -0.23 117.35 120.68 1xx8 s TYR 34 Ca 0.10 -0.60 -0.15 0.00 -1.41 0.00 0.00 57.07 55.02 1xx8 s TYR 34 Cb -0.10 -0.60 0.03 0.00 -1.10 0.00 0.00 41.96 40.19 1xx8 s TYR 34 CO 0.04 0.02 0.33 -0.51 -2.51 0.00 0.00 175.55 172.92 1xx8 s ASP 35 N -2.24 6.12 0.00 -0.18 1.01 0.11 -4.64 116.67 116.86 1xx8 s ASP 35 Ca 0.03 -0.94 0.00 0.00 0.71 0.00 0.00 52.55 52.34 1xx8 s ASP 35 Cb -0.05 -2.17 0.00 0.00 1.01 0.00 0.00 42.92 41.71 1xx8 s ASP 35 CO 0.01 -0.50 0.00 -0.67 0.21 0.00 0.00 175.17 174.22 1xx8 n ASP 36 N 5.22 0.00 -4.32 0.27 2.03 -1.26 -4.60 116.55 113.89 1xx8 n ASP 36 Ca -0.11 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 54.92 1xx8 n ASP 36 Cb 0.47 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.72 1xx8 n ASP 36 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1xx8 s ASN 37 N -1.90 2.95 -0.74 1.67 6.03 -1.26 -5.04 114.94 116.64 1xx8 s ASN 37 Ca 0.00 -0.58 -0.11 0.00 -1.03 0.00 0.00 52.86 51.14 1xx8 s ASN 37 Cb 0.00 -0.26 -0.09 0.00 -3.03 0.00 0.00 41.25 37.87 1xx8 s ASN 37 CO 0.00 0.22 1.91 0.61 -2.03 0.00 0.00 177.10 177.82 1xx8 n GLY 38 N 1.75 2.70 0.00 0.45 0.00 -1.26 -4.68 105.19 104.15 1xx8 n GLY 38 Ca -0.17 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1xx8 n GLY 38 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1xx8 n LYS 39 N 5.27 0.00 -0.31 1.61 2.85 -1.26 -5.17 118.16 121.15 1xx8 n LYS 39 Ca 0.41 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 57.38 1xx8 n LYS 39 Cb 0.21 0.00 0.28 0.00 -0.65 0.00 0.00 35.03 34.87 1xx8 n LYS 39 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1xx8 n THR 40 N 0.00 0.00 0.00 0.58 -1.04 -1.26 -4.93 114.28 107.63 1xx8 n THR 40 Ca 0.00 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 1xx8 n THR 40 Cb 0.00 -0.97 0.00 0.00 -1.82 0.00 0.00 70.33 67.54 1xx8 n THR 40 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xx8 n GLY 41 N 1.70 0.21 3.28 3.41 0.00 -1.26 -4.83 105.19 107.69 1xx8 n GLY 41 Ca 0.10 0.70 -0.34 0.00 0.00 0.00 0.00 46.02 46.48 1xx8 n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xx8 s ARG 42 N 0.00 3.26 0.04 1.61 1.81 -1.26 -3.52 118.95 120.89 1xx8 s ARG 42 Ca 0.00 -0.72 0.04 0.00 -1.72 0.00 0.00 55.73 53.34 1xx8 s ARG 42 Cb 0.00 -2.71 -0.02 0.00 -0.45 0.00 0.00 34.95 31.77 1xx8 s ARG 42 CO 0.00 -0.03 -0.13 0.20 -0.68 0.00 0.00 175.30 174.66 1xx8 s GLY 43 N 0.95 0.73 -0.03 -3.53 0.00 -1.20 -4.86 107.32 99.38 1xx8 s GLY 43 Ca -0.02 -0.79 -0.01 0.00 0.00 0.00 0.00 44.72 43.90 1xx8 s GLY 43 CO -0.01 -0.77 0.06 0.00 0.00 0.00 0.00 173.10 172.38 1xx8 s ALA 44 N -0.86 -0.01 0.06 3.20 0.00 -1.26 -3.64 121.76 119.25 1xx8 s ALA 44 Ca 0.01 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.37 1xx8 s ALA 44 Cb -0.08 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 1xx8 s ALA 44 CO 0.01 -0.12 -0.05 0.14 0.00 0.00 0.00 175.76 175.74 1xx8 s VAL 45 N 1.08 0.37 0.91 0.00 -7.23 -1.25 -4.26 120.40 110.02 1xx8 s VAL 45 Ca -0.09 -1.55 -0.13 0.00 -1.81 0.00 0.00 61.98 58.41 1xx8 s VAL 45 Cb -0.12 -1.17 0.14 0.00 0.56 0.00 0.00 36.38 35.79 1xx8 s VAL 45 CO -0.04 -0.77 1.15 -0.44 -0.31 0.00 0.00 175.10 174.69 1xx8 s SER 46 N -2.45 3.54 0.09 4.85 0.01 -1.26 -1.70 113.70 116.77 1xx8 s SER 46 Ca 0.01 0.91 -0.32 0.00 1.31 0.00 0.00 55.95 57.86 1xx8 s SER 46 Cb 0.01 -1.45 -0.15 0.00 0.21 0.00 0.00 66.02 64.64 1xx8 s SER 46 CO -0.05 -2.53 1.61 -0.33 0.41 0.00 0.00 173.24 172.35 1xx8 h GLU 47 N -1.48 -0.80 0.00 12.44 4.39 -1.48 -1.23 114.58 126.42 1xx8 h GLU 47 Ca -0.50 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.26 1xx8 h GLU 47 Cb 1.33 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 30.16 1xx8 h GLU 47 CO 0.61 -0.53 0.00 1.57 -1.16 0.00 0.00 179.01 179.50 1xx8 h LYS 48 N -0.83 0.00 -0.00 2.33 2.10 -1.94 -2.40 116.57 115.83 1xx8 h LYS 48 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1xx8 h LYS 48 Cb 0.71 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.04 1xx8 h LYS 48 CO -0.01 0.00 -0.49 -0.25 -2.00 0.00 0.00 179.45 176.70 1xx8 n ASP 49 N -2.81 0.75 -4.69 7.07 9.92 -0.79 -4.83 116.55 121.16 1xx8 n ASP 49 Ca 0.00 -0.54 -0.42 0.00 -0.53 0.00 0.00 54.79 53.30 1xx8 n ASP 49 Cb 0.24 0.31 -0.03 0.00 -0.64 0.00 0.00 41.12 41.00 1xx8 n ASP 49 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xx8 s ALA 50 N -2.85 3.50 -0.22 2.24 0.00 -0.53 -4.82 121.76 119.07 1xx8 s ALA 50 Ca 0.14 0.62 -0.20 0.00 0.00 0.00 0.00 51.96 52.53 1xx8 s ALA 50 Cb 0.18 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 1xx8 s ALA 50 CO 0.67 -0.76 0.59 -1.25 0.00 0.00 0.00 175.76 175.00 1xx8 s PRO 51 N 2.22 4.16 0.00 0.00 0.04 -1.26 -4.57 135.00 135.60 1xx8 s PRO 51 Ca 0.56 0.52 0.00 0.00 0.04 0.00 0.00 61.00 62.12 1xx8 s PRO 51 Cb -0.25 -3.60 0.00 0.00 0.04 0.00 0.00 34.50 30.69 1xx8 s PRO 51 CO 0.22 -0.28 0.00 1.17 0.04 0.00 0.00 177.00 178.15 1xx8 n LYS 52 N 5.23 0.00 -0.40 4.56 0.00 -1.26 -0.11 118.16 126.18 1xx8 n LYS 52 Ca -0.02 0.00 0.35 0.00 0.00 0.00 0.00 58.31 58.64 1xx8 n LYS 52 Cb 0.50 0.00 0.67 0.00 0.00 0.00 0.00 35.03 36.20 1xx8 n LYS 52 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1xx8 h GLU 53 N 0.00 0.12 0.13 1.64 4.39 -1.92 0.86 114.58 119.79 1xx8 h GLU 53 Ca 0.00 -0.01 -0.32 0.00 0.34 0.00 0.00 59.36 59.38 1xx8 h GLU 53 Cb 0.00 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1xx8 h GLU 53 CO 0.00 0.08 -1.65 1.25 -1.16 0.00 0.00 179.01 177.53 1xx8 h LEU 54 N 0.12 0.41 -1.50 1.33 6.46 -0.86 -3.32 115.31 117.96 1xx8 h LEU 54 Ca 0.68 -0.88 -0.03 0.00 -0.12 0.00 0.00 57.88 57.54 1xx8 h LEU 54 Cb 2.34 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 42.14 1xx8 h LEU 54 CO -0.18 1.72 -0.15 -0.07 -0.62 0.00 0.00 178.44 179.14 1xx8 h LEU 55 N -0.16 0.00 -0.52 2.25 3.38 -0.92 -2.32 115.31 117.02 1xx8 h LEU 55 Ca -0.35 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.46 1xx8 h LEU 55 Cb 1.88 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.63 1xx8 h LEU 55 CO 0.07 0.15 -0.54 -0.78 0.09 0.00 0.00 178.44 177.43 1xx8 h ASP 56 N 0.00 0.64 0.77 -0.43 1.82 0.48 0.28 116.42 119.97 1xx8 h ASP 56 Ca -0.00 -0.33 -0.10 0.00 -0.39 0.00 0.00 57.03 56.21 1xx8 h ASP 56 Cb 0.55 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.36 1xx8 h ASP 56 CO 0.02 1.05 -0.47 0.24 -1.61 0.00 0.00 179.24 178.47 1xx8 h MET 57 N 0.44 0.00 0.10 0.28 2.86 -1.57 -1.93 114.93 115.12 1xx8 h MET 57 Ca 0.01 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.38 1xx8 h MET 57 Cb 1.08 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.74 1xx8 h MET 57 CO 0.10 0.47 -1.28 -0.07 1.06 0.00 0.00 176.91 177.19 1xx8 h LEU 58 N 0.00 0.34 -0.63 1.22 3.38 -1.05 -3.06 115.31 115.51 1xx8 h LEU 58 Ca -0.00 -0.39 -0.14 0.00 0.09 0.00 0.00 57.88 57.44 1xx8 h LEU 58 Cb 0.98 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1xx8 h LEU 58 CO 0.06 1.31 -0.42 0.00 0.09 0.00 0.00 178.44 179.48 1xx8 h ALA 59 N 0.64 0.81 0.00 1.53 0.00 -0.36 -1.99 119.26 119.88 1xx8 h ALA 59 Ca -0.14 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1xx8 h ALA 59 Cb 1.95 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1xx8 h ALA 59 CO 0.18 0.65 0.00 2.89 0.00 0.00 0.00 179.25 182.97 1xx8 n ARG 60 N -4.02 0.53 0.02 0.00 1.85 -0.73 -2.40 116.66 111.90 1xx8 n ARG 60 Ca -0.02 0.03 0.11 0.00 -1.00 0.00 0.00 57.85 56.97 1xx8 n ARG 60 Cb 0.53 -1.50 -0.09 0.00 -1.05 0.00 0.00 32.46 30.35 1xx8 n ARG 60 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1xx8 n ALA 61 N -1.19 3.07 -0.43 2.89 0.00 -0.78 -4.38 120.51 119.68 1xx8 n ALA 61 Ca 0.15 -0.44 -0.04 0.00 0.00 0.00 0.00 53.44 53.11 1xx8 n ALA 61 Cb 0.17 -0.88 -0.06 0.00 0.00 0.00 0.00 19.45 18.69 1xx8 n ALA 61 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1xx8 n GLU 62 N -2.21 0.86 -0.87 0.00 1.02 -1.01 -2.61 120.64 115.82 1xx8 n GLU 62 Ca -0.01 -0.34 -0.01 0.00 -0.02 0.00 0.00 57.16 56.79 1xx8 n GLU 62 Cb 0.51 -1.57 -0.01 0.00 -0.02 0.00 0.00 31.44 30.35 1xx8 n GLU 62 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1xx8 n ARG 63 N 2.37 0.00 0.00 3.49 3.00 -1.26 -4.99 116.66 119.28 1xx8 n ARG 63 Ca 0.14 -1.00 0.00 0.00 -0.01 0.00 0.00 57.85 56.99 1xx8 n ARG 63 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 32.46 32.85 1xx8 n ARG 63 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1xx8 n GLU 64 N 0.12 0.00 0.00 5.56 -0.58 -1.07 -5.06 120.64 119.61 1xx8 n GLU 64 Ca -0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 1xx8 n GLU 64 Cb 0.76 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.63 1xx8 n GLU 64 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1xx8 n LYS 65 N -0.61 0.00 0.00 3.49 5.02 -1.25 -5.21 118.16 119.60 1xx8 n LYS 65 Ca 0.00 0.33 0.15 0.00 -2.02 0.00 0.00 58.31 56.77 1xx8 n LYS 65 Cb 0.00 -0.81 0.84 0.00 -0.02 0.00 0.00 35.03 35.03 1xx8 n LYS 65 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05