#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wvl s VAL 2 N 0.00 4.62 -0.03 1.12 1.01 -1.26 -5.04 120.40 120.81 1wvl s VAL 2 Ca 0.00 1.33 0.04 0.00 0.00 0.00 0.00 61.98 63.35 1wvl s VAL 2 Cb 0.00 -3.94 -0.00 0.00 0.00 0.00 0.00 36.38 32.44 1wvl s VAL 2 CO 0.00 0.45 -0.15 -0.54 0.00 0.00 0.00 175.10 174.86 1wvl s LYS 3 N -1.36 1.52 -0.26 2.72 1.02 -1.26 -1.65 119.74 120.48 1wvl s LYS 3 Ca 0.34 -0.53 -0.20 0.00 0.02 0.00 0.00 55.97 55.60 1wvl s LYS 3 Cb -0.20 -1.36 -0.02 0.00 -0.52 0.00 0.00 37.83 35.73 1wvl s LYS 3 CO 0.21 0.23 0.62 0.54 -0.92 0.00 0.00 175.35 176.03 1wvl s VAL 4 N 0.01 4.99 -0.34 3.17 0.11 0.76 -4.88 120.40 124.23 1wvl s VAL 4 Ca -0.02 1.09 -0.19 0.00 -2.93 0.00 0.00 61.98 59.93 1wvl s VAL 4 Cb -0.10 -3.92 -0.01 0.00 -1.53 0.00 0.00 36.38 30.82 1wvl s VAL 4 CO 0.01 0.03 0.55 -0.54 -3.33 0.00 0.00 175.10 171.82 1wvl s LYS 5 N 2.49 3.71 0.30 1.54 1.02 -1.26 -2.11 119.74 125.42 1wvl s LYS 5 Ca 0.25 -0.02 0.05 0.00 0.02 0.00 0.00 55.97 56.27 1wvl s LYS 5 Cb -0.15 -3.78 -0.03 0.00 -0.52 0.00 0.00 37.83 33.34 1wvl s LYS 5 CO 0.09 -0.63 0.23 -0.59 -0.92 0.00 0.00 175.35 173.53 1wvl s PHE 6 N 2.47 1.60 0.03 3.18 -0.71 -0.28 -4.98 117.98 119.29 1wvl s PHE 6 Ca 0.21 -1.56 0.08 0.00 -1.04 0.00 0.00 56.93 54.62 1wvl s PHE 6 Cb -0.15 -0.71 -0.03 0.00 -1.21 0.00 0.00 43.02 40.93 1wvl s PHE 6 CO 0.13 -0.77 -0.24 0.15 -1.34 0.00 0.00 175.22 173.15 1wvl s LYS 7 N -3.66 1.68 -0.19 1.99 1.02 -1.26 0.68 119.74 120.00 1wvl s LYS 7 Ca 0.39 -1.01 -0.04 0.00 0.02 0.00 0.00 55.97 55.34 1wvl s LYS 7 Cb 0.04 -1.80 0.06 0.00 -0.52 0.00 0.00 37.83 35.61 1wvl s LYS 7 CO 0.23 0.47 0.06 -0.47 -0.92 0.00 0.00 175.35 174.72 1wvl s TYR 8 N -0.76 0.70 -0.86 3.18 5.04 0.12 -4.61 117.35 120.15 1wvl s TYR 8 Ca 0.10 -0.68 -0.04 0.00 -2.44 0.00 0.00 57.07 54.01 1wvl s TYR 8 Cb -0.09 -0.91 0.00 0.00 0.35 0.00 0.00 41.96 41.30 1wvl s TYR 8 CO 0.01 -0.59 0.74 1.63 -1.34 0.00 0.00 175.55 176.01 1wvl n LYS 9 N 5.14 -4.97 0.00 4.97 5.02 -1.26 -2.99 118.16 124.07 1wvl n LYS 9 Ca -0.08 0.56 0.00 0.00 -2.02 0.00 0.00 58.31 56.77 1wvl n LYS 9 Cb 0.47 -4.75 0.00 0.00 -0.02 0.00 0.00 35.03 30.73 1wvl n LYS 9 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wvl n GLY 10 N -1.35 2.52 3.77 0.72 0.00 -1.26 -4.98 105.19 104.62 1wvl n GLY 10 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 1wvl n GLY 10 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wvl s GLU 11 N 0.00 4.62 0.45 1.61 0.41 -1.16 -4.99 118.70 119.64 1wvl s GLU 11 Ca 0.00 1.23 -0.22 0.00 -0.41 0.00 0.00 54.97 55.57 1wvl s GLU 11 Cb 0.00 -3.18 -0.08 0.00 -1.78 0.00 0.00 34.13 29.09 1wvl s GLU 11 CO 0.00 0.51 1.10 -1.21 -0.49 0.00 0.00 175.26 175.18 1wvl s GLU 12 N -1.33 3.85 0.03 1.61 2.02 -1.26 -0.70 118.70 122.91 1wvl s GLU 12 Ca 0.39 1.61 -0.12 0.00 0.02 0.00 0.00 54.97 56.88 1wvl s GLU 12 Cb -0.23 -2.36 0.01 0.00 0.10 0.00 0.00 34.13 31.66 1wvl s GLU 12 CO 0.27 -0.44 0.24 0.15 0.02 0.00 0.00 175.26 175.51 1wvl s LYS 13 N -2.78 0.70 -0.20 1.61 1.02 0.21 -4.86 119.74 115.44 1wvl s LYS 13 Ca 0.63 -0.48 -0.05 0.00 0.02 0.00 0.00 55.97 56.09 1wvl s LYS 13 Cb -0.24 0.30 0.07 0.00 -0.52 0.00 0.00 37.83 37.44 1wvl s LYS 13 CO 0.29 -0.21 0.10 -1.21 -0.92 0.00 0.00 175.35 173.41 1wvl s GLU 14 N -2.20 0.10 0.11 1.68 2.02 -1.26 -1.13 118.70 118.03 1wvl s GLU 14 Ca -0.08 -0.21 0.02 0.00 0.02 0.00 0.00 54.97 54.73 1wvl s GLU 14 Cb -0.02 -1.65 -0.04 0.00 0.10 0.00 0.00 34.13 32.51 1wvl s GLU 14 CO -0.02 -0.77 0.21 0.08 0.02 0.00 0.00 175.26 174.79 1wvl s VAL 15 N 2.12 5.10 -0.36 2.63 1.01 -0.90 -4.90 120.40 125.11 1wvl s VAL 15 Ca 0.04 -0.67 -0.24 0.00 0.00 0.00 0.00 61.98 61.11 1wvl s VAL 15 Cb -0.16 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.68 1wvl s VAL 15 CO -0.17 0.01 0.82 -0.62 0.00 0.00 0.00 175.10 175.14 1wvl s ASP 16 N -2.86 6.60 0.57 3.32 3.68 -1.26 -0.17 116.67 126.54 1wvl s ASP 16 Ca 0.33 0.44 0.44 0.00 2.13 0.00 0.00 52.55 55.90 1wvl s ASP 16 Cb -0.12 -2.41 1.56 0.00 -1.45 0.00 0.00 42.92 40.50 1wvl s ASP 16 CO 0.27 -0.75 1.54 0.71 0.13 0.00 0.00 175.17 177.07 1wvl h THR 17 N 5.75 0.05 0.00 1.71 1.35 -1.66 2.49 112.91 122.60 1wvl h THR 17 Ca -0.24 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1wvl h THR 17 Cb 1.09 0.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.56 1wvl h THR 17 CO 0.92 0.00 -0.12 -1.54 -0.25 0.00 0.00 175.52 174.54 1wvl n SER 18 N -3.81 0.58 -0.43 5.36 3.41 -1.26 -2.90 113.62 114.57 1wvl n SER 18 Ca 0.38 0.45 0.13 0.00 -0.26 0.00 0.00 58.87 59.57 1wvl n SER 18 Cb 1.84 -0.53 0.33 0.00 -0.26 0.00 0.00 64.21 65.59 1wvl n SER 18 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1wvl n LYS 19 N -2.01 1.30 -2.34 4.33 4.81 0.84 -4.86 118.16 120.22 1wvl n LYS 19 Ca 0.06 -0.86 -0.43 0.00 -0.87 0.00 0.00 58.31 56.21 1wvl n LYS 19 Cb 0.40 -1.48 -0.02 0.00 0.02 0.00 0.00 35.03 33.95 1wvl n LYS 19 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1wvl s ILE 20 N -2.30 4.12 0.16 3.15 -1.09 -1.14 -2.04 121.20 122.06 1wvl s ILE 20 Ca 0.28 1.38 0.09 0.00 -2.23 0.00 0.00 60.65 60.17 1wvl s ILE 20 Cb 0.20 -3.89 -0.11 0.00 -1.58 0.00 0.00 42.46 37.07 1wvl s ILE 20 CO 0.45 -0.09 1.43 0.11 -1.23 0.00 0.00 174.94 175.60 1wvl h LYS 21 N 8.28 0.00 -1.63 2.79 1.57 0.19 -3.48 116.57 124.29 1wvl h LYS 21 Ca -0.30 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 58.62 1wvl h LYS 21 Cb 1.13 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.23 1wvl h LYS 21 CO 0.95 0.81 0.65 -1.59 -0.57 0.00 0.00 179.45 179.70 1wvl s LYS 22 N -3.09 0.51 0.11 3.15 -2.85 -1.20 -4.99 119.74 111.38 1wvl s LYS 22 Ca 0.00 -0.03 0.03 0.00 -1.00 0.00 0.00 55.97 54.97 1wvl s LYS 22 Cb 0.11 0.24 -0.04 0.00 -2.06 0.00 0.00 37.83 36.07 1wvl s LYS 22 CO 0.79 -0.19 -0.08 0.08 0.10 0.00 0.00 175.35 176.05 1wvl s VAL 23 N -1.85 0.85 -0.14 1.79 1.01 -1.26 -1.69 120.40 119.11 1wvl s VAL 23 Ca 0.04 -1.93 -0.30 0.00 0.00 0.00 0.00 61.98 59.79 1wvl s VAL 23 Cb -0.01 -1.68 0.13 0.00 0.00 0.00 0.00 36.38 34.82 1wvl s VAL 23 CO -0.03 -0.80 1.03 -1.66 0.00 0.00 0.00 175.10 173.63 1wvl s TRP 24 N -3.39 -0.31 -0.09 5.22 -2.14 -1.01 -4.85 118.94 112.38 1wvl s TRP 24 Ca 0.12 0.44 -0.04 0.00 2.66 0.00 0.00 56.10 59.28 1wvl s TRP 24 Cb 0.03 0.48 -0.04 0.00 -3.10 0.00 0.00 33.47 30.85 1wvl s TRP 24 CO -0.03 -0.34 0.10 0.50 -2.66 0.00 0.00 176.95 174.52 1wvl s ARG 25 N -1.66 3.27 -0.52 3.25 3.52 -1.26 -0.99 118.95 124.56 1wvl s ARG 25 Ca 0.02 -0.26 0.06 0.00 -0.13 0.00 0.00 55.73 55.42 1wvl s ARG 25 Cb -0.01 -3.04 0.22 0.00 -1.56 0.00 0.00 34.95 30.57 1wvl s ARG 25 CO -0.02 0.74 0.54 0.28 -0.81 0.00 0.00 175.30 176.02 1wvl n VAL 26 N 1.85 0.43 0.00 7.11 0.31 -0.72 -4.96 118.33 122.36 1wvl n VAL 26 Ca -0.18 -4.36 0.00 0.00 -0.01 0.00 0.00 64.34 59.79 1wvl n VAL 26 Cb 0.54 -1.97 0.00 0.00 -0.91 0.00 0.00 33.84 31.50 1wvl n VAL 26 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wvl n GLY 27 N 1.68 1.74 0.10 2.92 0.00 -1.26 -3.26 105.19 107.11 1wvl n GLY 27 Ca 0.25 -0.64 0.02 0.00 0.00 0.00 0.00 46.02 45.65 1wvl n GLY 27 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wvl h LYS 28 N 0.00 0.00 -7.07 1.61 1.57 -1.99 -3.47 116.57 107.22 1wvl h LYS 28 Ca 0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 1wvl h LYS 28 Cb 0.00 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.38 1wvl h LYS 28 CO 0.00 0.26 0.44 -1.64 -0.57 0.00 0.00 179.45 177.95 1wvl s MET 29 N -3.00 3.43 -0.35 3.15 -1.94 -1.20 -1.39 119.30 118.01 1wvl s MET 29 Ca -0.02 1.64 0.03 0.00 -1.71 0.00 0.00 55.69 55.63 1wvl s MET 29 Cb 0.09 -2.07 0.10 0.00 2.01 0.00 0.00 34.83 34.95 1wvl s MET 29 CO 0.80 -0.79 0.07 0.08 -0.01 0.00 0.00 175.02 175.17 1wvl s VAL 30 N -1.73 2.06 0.57 -6.03 1.01 -0.47 -1.75 120.40 114.05 1wvl s VAL 30 Ca 0.71 -2.25 -0.03 0.00 0.00 0.00 0.00 61.98 60.41 1wvl s VAL 30 Cb -0.25 -2.52 0.02 0.00 0.00 0.00 0.00 36.38 33.63 1wvl s VAL 30 CO 0.28 -0.63 0.84 -0.44 0.00 0.00 0.00 175.10 175.16 1wvl s SER 31 N 0.95 5.49 0.16 3.32 0.01 -0.17 -1.77 113.70 121.69 1wvl s SER 31 Ca 0.11 0.45 -0.19 0.00 1.31 0.00 0.00 55.95 57.64 1wvl s SER 31 Cb -0.19 -1.44 0.07 0.00 0.21 0.00 0.00 66.02 64.66 1wvl s SER 31 CO -0.10 -1.07 0.90 2.22 0.41 0.00 0.00 173.24 175.60 1wvl n PHE 32 N -2.47 -1.27 -3.84 2.43 1.16 0.11 -2.39 117.46 111.20 1wvl n PHE 32 Ca 0.05 -1.12 -0.12 0.00 -1.87 0.00 0.00 57.45 54.39 1wvl n PHE 32 Cb 0.58 0.55 -0.10 0.00 -1.61 0.00 0.00 39.48 38.90 1wvl n PHE 32 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 1wvl s THR 33 N -2.12 0.06 0.27 1.97 -4.23 -0.68 -2.58 115.64 108.32 1wvl s THR 33 Ca 0.20 -0.47 0.02 0.00 -1.18 0.00 0.00 61.69 60.26 1wvl s THR 33 Cb -0.02 -0.42 -0.05 0.00 1.34 0.00 0.00 72.50 73.34 1wvl s THR 33 CO 0.05 -0.26 0.10 -0.72 -0.54 0.00 0.00 174.62 173.25 1wvl s TYR 34 N -0.96 1.61 -0.90 3.99 1.13 0.11 0.89 117.35 123.23 1wvl s TYR 34 Ca -0.10 -1.16 -0.15 0.00 -1.41 0.00 0.00 57.07 54.24 1wvl s TYR 34 Cb -0.06 -0.96 0.20 0.00 -1.10 0.00 0.00 41.96 40.05 1wvl s TYR 34 CO 0.02 -0.30 0.92 0.34 -2.51 0.00 0.00 175.55 174.01 1wvl s ASP 35 N -3.35 6.80 -0.29 -0.18 -1.08 -0.87 -1.36 116.67 116.34 1wvl s ASP 35 Ca 0.37 -2.64 -0.05 0.00 -0.52 0.00 0.00 52.55 49.71 1wvl s ASP 35 Cb 0.08 -2.26 -0.13 0.00 -1.46 0.00 0.00 42.92 39.14 1wvl s ASP 35 CO 0.14 -0.67 3.26 -0.90 0.52 0.00 0.00 175.17 177.52 1wvl n ASP 36 N 4.53 5.96 -1.99 -0.34 5.68 -1.18 -4.66 116.55 124.55 1wvl n ASP 36 Ca 0.18 -2.75 -0.00 0.00 -0.50 0.00 0.00 54.79 51.72 1wvl n ASP 36 Cb 0.47 -1.36 0.00 0.00 -1.14 0.00 0.00 41.12 39.08 1wvl n ASP 36 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1wvl n ASN 37 N 1.98 -3.85 0.00 -1.12 3.02 -1.26 -4.44 115.26 109.59 1wvl n ASN 37 Ca 0.48 -0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.02 1wvl n ASN 37 Cb 0.73 -2.37 0.00 0.00 -0.61 0.00 0.00 39.78 37.53 1wvl n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wvl n GLY 38 N -1.17 2.67 3.81 7.41 0.00 -1.26 -5.03 105.19 111.62 1wvl n GLY 38 Ca 0.00 -0.62 -0.22 0.00 0.00 0.00 0.00 46.02 45.18 1wvl n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wvl s LYS 39 N 0.00 2.42 -0.25 1.61 3.01 -1.26 -5.09 119.74 120.18 1wvl s LYS 39 Ca 0.00 -1.64 -0.29 0.00 -1.01 0.00 0.00 55.97 53.03 1wvl s LYS 39 Cb 0.00 -2.22 -0.00 0.00 -1.01 0.00 0.00 37.83 34.60 1wvl s LYS 39 CO 0.00 -0.12 1.24 0.99 0.51 0.00 0.00 175.35 177.97 1wvl s THR 40 N -2.51 4.28 -0.30 2.17 2.01 -1.26 -3.07 115.64 116.96 1wvl s THR 40 Ca 0.44 1.50 -0.07 0.00 0.31 0.00 0.00 61.69 63.87 1wvl s THR 40 Cb -0.01 -4.14 0.01 0.00 0.01 0.00 0.00 72.50 68.37 1wvl s THR 40 CO 0.25 -0.32 0.10 -0.83 -0.69 0.00 0.00 174.62 173.13 1wvl s GLY 41 N 2.22 1.81 0.44 4.40 0.00 -0.47 -4.95 107.32 110.78 1wvl s GLY 41 Ca 0.53 -1.44 -0.03 0.00 0.00 0.00 0.00 44.72 43.78 1wvl s GLY 41 CO 0.17 0.66 0.70 0.50 0.00 0.00 0.00 173.10 175.14 1wvl s ARG 42 N 1.52 3.41 -0.25 2.90 0.52 -1.26 0.10 118.95 125.88 1wvl s ARG 42 Ca 0.03 -0.08 -0.34 0.00 -0.52 0.00 0.00 55.73 54.82 1wvl s ARG 42 Cb -0.17 -2.48 0.16 0.00 0.52 0.00 0.00 34.95 32.98 1wvl s ARG 42 CO 0.03 -0.14 1.31 0.20 0.02 0.00 0.00 175.30 176.72 1wvl s GLY 43 N -4.12 -0.14 -0.24 -3.53 0.00 -1.07 -4.93 107.32 93.30 1wvl s GLY 43 Ca 0.46 2.12 -0.21 0.00 0.00 0.00 0.00 44.72 47.08 1wvl s GLY 43 CO 0.41 0.77 0.63 0.00 0.00 0.00 0.00 173.10 174.91 1wvl s ALA 44 N -1.79 -1.57 -0.00 3.20 0.00 -1.26 -0.71 121.76 119.62 1wvl s ALA 44 Ca 0.10 1.82 0.01 0.00 0.00 0.00 0.00 51.96 53.89 1wvl s ALA 44 Cb -0.01 -1.06 -0.00 0.00 0.00 0.00 0.00 23.12 22.04 1wvl s ALA 44 CO -0.05 -0.30 -0.04 0.54 0.00 0.00 0.00 175.76 175.91 1wvl s VAL 45 N 0.45 0.33 0.38 0.00 0.11 -0.73 -4.58 120.40 116.36 1wvl s VAL 45 Ca -0.01 -0.21 -0.27 0.00 -2.93 0.00 0.00 61.98 58.56 1wvl s VAL 45 Cb -0.05 -0.29 -0.10 0.00 -1.53 0.00 0.00 36.38 34.42 1wvl s VAL 45 CO -0.01 0.07 1.42 -0.94 -3.33 0.00 0.00 175.10 172.31 1wvl s SER 46 N -0.15 6.34 0.30 3.54 1.04 -1.26 -1.37 113.70 122.13 1wvl s SER 46 Ca 0.01 2.91 0.01 0.00 0.48 0.00 0.00 55.95 59.36 1wvl s SER 46 Cb -0.02 -2.66 0.71 0.00 0.10 0.00 0.00 66.02 64.15 1wvl s SER 46 CO -0.00 -0.86 1.59 -0.08 0.98 0.00 0.00 173.24 174.86 1wvl h GLU 47 N 2.91 0.04 0.00 4.02 4.81 -1.54 -0.16 114.58 124.66 1wvl h GLU 47 Ca -0.50 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1wvl h GLU 47 Cb 1.24 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 1wvl h GLU 47 CO 0.64 0.03 -0.01 1.57 -0.73 0.00 0.00 179.01 180.50 1wvl h LYS 48 N 0.04 0.00 -0.35 1.92 2.10 -1.90 -2.33 116.57 116.06 1wvl h LYS 48 Ca 0.57 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 59.09 1wvl h LYS 48 Cb 1.16 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.42 1wvl h LYS 48 CO -0.86 0.01 -0.01 -0.25 -2.00 0.00 0.00 179.45 176.34 1wvl n ASP 49 N -3.12 3.08 -4.62 7.07 8.00 -0.08 -4.99 116.55 121.88 1wvl n ASP 49 Ca -0.01 -3.47 -0.34 0.00 0.71 0.00 0.00 54.79 51.67 1wvl n ASP 49 Cb 0.18 -0.61 -0.10 0.00 -0.02 0.00 0.00 41.12 40.57 1wvl n ASP 49 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wvl s ALA 50 N -3.09 3.30 0.74 2.24 0.00 -0.88 -4.86 121.76 119.22 1wvl s ALA 50 Ca 0.44 -0.77 -0.15 0.00 0.00 0.00 0.00 51.96 51.48 1wvl s ALA 50 Cb 0.38 -1.75 0.02 0.00 0.00 0.00 0.00 23.12 21.77 1wvl s ALA 50 CO 0.04 0.28 0.96 -0.35 0.00 0.00 0.00 175.76 176.69 1wvl n PRO 51 N 3.21 0.42 -0.17 0.00 -0.04 -1.26 -4.80 135.00 132.36 1wvl n PRO 51 Ca -0.17 0.20 -0.02 0.00 -0.04 0.00 0.00 63.50 63.47 1wvl n PRO 51 Cb 0.53 -2.22 0.21 0.00 -0.04 0.00 0.00 33.50 31.98 1wvl n PRO 51 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1wvl h LYS 52 N -0.40 0.92 0.00 0.54 1.63 -1.98 -1.66 116.57 115.62 1wvl h LYS 52 Ca -0.47 -0.13 -0.00 0.00 -0.85 0.00 0.00 60.65 59.20 1wvl h LYS 52 Cb 1.33 -0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 32.79 1wvl h LYS 52 CO 0.46 0.72 -0.00 1.49 -3.45 0.00 0.00 179.45 178.67 1wvl h GLU 53 N 0.91 0.00 0.11 1.90 4.57 -1.99 -0.66 114.58 119.42 1wvl h GLU 53 Ca 0.22 0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 58.14 1wvl h GLU 53 Cb 0.12 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1wvl h GLU 53 CO -0.03 0.00 -1.22 1.25 -1.18 0.00 0.00 179.01 177.84 1wvl h LEU 54 N 0.00 0.35 -0.63 1.64 5.85 -1.65 -2.59 115.31 118.28 1wvl h LEU 54 Ca -0.00 -0.38 -0.14 0.00 0.84 0.00 0.00 57.88 58.19 1wvl h LEU 54 Cb 0.39 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1wvl h LEU 54 CO 0.00 1.30 -0.49 -0.07 -0.34 0.00 0.00 178.44 178.85 1wvl h LEU 55 N 0.06 0.53 -0.73 2.25 3.38 -1.02 -1.27 115.31 118.51 1wvl h LEU 55 Ca -0.12 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.51 1wvl h LEU 55 Cb 1.94 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 42.51 1wvl h LEU 55 CO 0.19 0.93 0.13 0.44 0.09 0.00 0.00 178.44 180.22 1wvl h ASP 56 N 0.39 1.05 -0.67 -0.43 3.32 -1.16 0.35 116.42 119.27 1wvl h ASP 56 Ca 0.02 -0.24 -0.07 0.00 0.02 0.00 0.00 57.03 56.76 1wvl h ASP 56 Cb 0.99 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.24 1wvl h ASP 56 CO 0.09 1.03 0.15 0.24 -1.72 0.00 0.00 179.24 179.02 1wvl h MET 57 N 1.03 1.09 -0.09 3.56 2.86 -1.20 0.10 114.93 122.28 1wvl h MET 57 Ca 0.21 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1wvl h MET 57 Cb 0.41 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 1wvl h MET 57 CO 0.01 0.98 0.01 1.25 1.06 0.00 0.00 176.91 180.22 1wvl h LEU 58 N 1.02 0.15 0.10 1.22 7.12 -0.82 -0.64 115.31 123.45 1wvl h LEU 58 Ca 0.21 -0.27 0.02 0.00 0.13 0.00 0.00 57.88 57.98 1wvl h LEU 58 Cb 0.39 -0.04 -0.04 0.00 -0.53 0.00 0.00 40.66 40.44 1wvl h LEU 58 CO 0.01 0.37 -0.35 0.00 -0.13 0.00 0.00 178.44 178.34 1wvl h ALA 59 N 0.78 -0.59 -0.03 1.25 0.00 -0.02 0.22 119.26 120.87 1wvl h ALA 59 Ca 0.03 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1wvl h ALA 59 Cb 0.29 0.58 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1wvl h ALA 59 CO 0.00 -0.89 0.02 0.00 0.00 0.00 0.00 179.25 178.38 1wvl h ARG 60 N -0.56 0.00 -0.21 0.00 3.08 -0.93 -0.40 114.38 115.36 1wvl h ARG 60 Ca 0.03 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.97 1wvl h ARG 60 Cb 0.60 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 1wvl h ARG 60 CO -0.22 0.00 -0.30 0.00 -1.07 0.00 0.00 179.97 178.38 1wvl h ALA 61 N 1.98 0.32 0.00 0.04 0.00 0.70 0.13 119.26 122.44 1wvl h ALA 61 Ca 0.01 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 1wvl h ALA 61 Cb 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1wvl h ALA 61 CO -0.00 0.34 -0.40 0.93 0.00 0.00 0.00 179.25 180.12 1wvl h GLU 62 N 0.26 0.00 0.05 0.00 5.08 0.22 -0.57 114.58 119.62 1wvl h GLU 62 Ca 0.02 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.20 1wvl h GLU 62 Cb 0.88 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.14 1wvl h GLU 62 CO 0.07 0.40 -0.73 -0.09 -1.00 0.00 0.00 179.01 177.66 1wvl h ARG 63 N 0.00 0.41 -0.67 2.33 2.43 -0.94 -1.48 114.38 116.45 1wvl h ARG 63 Ca -0.00 -0.50 -0.00 0.00 -0.81 0.00 0.00 59.98 58.66 1wvl h ARG 63 Cb 0.79 0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.46 1wvl h ARG 63 CO 0.05 1.17 0.40 1.49 -1.51 0.00 0.00 179.97 181.57 1wvl h GLU 64 N -0.13 0.91 0.03 0.20 4.57 -0.59 -2.17 114.58 117.41 1wvl h GLU 64 Ca -0.10 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 57.99 1wvl h GLU 64 Cb 1.47 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 1wvl h GLU 64 CO 0.14 0.64 -0.02 -0.22 -1.18 0.00 0.00 179.01 178.38 1wvl h LYS 65 N 0.93 -0.04 -0.72 1.92 3.64 -1.08 -2.58 116.57 118.64 1wvl h LYS 65 Ca 0.24 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.75 1wvl h LYS 65 Cb -0.03 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 31.72 1wvl h LYS 65 CO -0.04 0.42 0.30 -0.22 -2.27 0.00 0.00 179.45 177.64 1wvl h LYS 66 N -0.52 0.47 0.51 1.90 3.64 -1.08 0.21 116.57 121.69 1wvl h LYS 66 Ca -0.00 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1wvl h LYS 66 Cb 0.48 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1wvl h LYS 66 CO 0.01 0.31 -0.25 0.78 -2.27 0.00 0.00 179.45 178.03 1wvl h GLY 67 N 0.48 -0.73 0.66 5.01 0.00 -1.39 0.55 103.07 107.67 1wvl h GLY 67 Ca 0.38 0.27 0.11 0.00 0.00 0.00 0.00 47.33 48.09 1wvl h GLY 67 CO -0.35 -0.26 0.57 -2.08 0.00 0.00 0.00 176.54 174.42 1wvl h VAL 68 N -0.69 0.92 0.01 4.60 2.07 -0.98 -0.18 116.25 122.00 1wvl h VAL 68 Ca -0.07 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 1wvl h VAL 68 Cb 0.54 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1wvl h VAL 68 CO 0.11 0.15 -0.00 0.25 0.02 0.00 0.00 177.57 178.09 1wvl h LEU 69 N 0.82 -0.01 -2.26 2.57 5.85 0.02 0.29 115.31 122.60 1wvl h LEU 69 Ca 0.42 -0.35 0.03 0.00 0.84 0.00 0.00 57.88 58.83 1wvl h LEU 69 Cb 0.51 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 1wvl h LEU 69 CO -0.19 0.34 0.10 0.50 -0.34 0.00 0.00 178.44 178.86 1wvl h LYS 70 N -0.36 0.00 0.15 1.25 3.11 0.91 0.53 116.57 122.16 1wvl h LYS 70 Ca -0.00 0.00 -0.30 0.00 -2.81 0.00 0.00 60.65 57.54 1wvl h LYS 70 Cb 0.35 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.59 1wvl h LYS 70 CO 0.00 0.00 -1.42 -0.22 -2.81 0.00 0.00 179.45 175.00 1wvl h LYS 71 N 0.00 0.31 -0.03 1.90 3.64 -0.73 -3.00 116.57 118.67 1wvl h LYS 71 Ca 0.05 -0.54 -0.03 0.00 -1.27 0.00 0.00 60.65 58.86 1wvl h LYS 71 Cb 0.25 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1wvl h LYS 71 CO -0.00 1.22 -0.09 1.25 -2.27 0.00 0.00 179.45 179.56 1wvl h LEU 72 N 0.09 0.13 -0.99 5.20 5.85 0.67 -3.04 115.31 123.21 1wvl h LEU 72 Ca -0.21 -0.62 0.20 0.00 0.84 0.00 0.00 57.88 58.09 1wvl h LEU 72 Cb 2.03 -0.04 -0.11 0.00 0.37 0.00 0.00 40.66 42.91 1wvl h LEU 72 CO 0.20 0.73 0.60 -0.09 -0.34 0.00 0.00 178.44 179.53 1wvl h ARG 73 N -0.46 0.71 0.35 1.25 9.65 -0.13 -1.59 114.38 124.15 1wvl h ARG 73 Ca -0.00 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 58.83 1wvl h ARG 73 Cb 0.72 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 29.11 1wvl h ARG 73 CO 0.02 0.47 -0.36 0.00 2.80 0.00 0.00 179.97 182.90 1wvl h ALA 74 N 1.65 -0.77 -0.25 2.80 0.00 -1.42 -2.42 119.26 118.86 1wvl h ALA 74 Ca 0.58 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.44 1wvl h ALA 74 Cb 0.93 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1wvl h ALA 74 CO -0.40 -0.97 0.27 0.28 0.00 0.00 0.00 179.25 178.43 1wvl h VAL 75 N -0.74 0.46 -0.01 0.00 2.07 -1.22 -2.11 116.25 114.70 1wvl h VAL 75 Ca -0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1wvl h VAL 75 Cb 0.67 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1wvl h VAL 75 CO -0.07 0.00 -0.03 -0.33 0.02 0.00 0.00 177.57 177.16 1wvl h GLU 76 N 0.00 0.03 0.00 1.57 5.08 -1.14 -3.19 114.58 116.93 1wvl h GLU 76 Ca 0.12 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1wvl h GLU 76 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1wvl h GLU 76 CO -0.00 0.66 0.00 -0.91 -1.00 0.00 0.00 179.01 177.76 1wvl h ASN 77 N -0.59 0.00 0.09 1.42 4.21 -1.10 0.66 115.58 120.28 1wvl h ASN 77 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1wvl h ASN 77 Cb 0.66 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.86 1wvl h ASN 77 CO 0.01 0.00 -0.01 -0.62 -1.29 0.00 0.00 177.43 175.52 1wvl n GLU 78 N -2.48 0.98 -0.01 0.81 1.02 -1.10 -2.32 120.64 117.55 1wvl n GLU 78 Ca -0.01 -0.13 0.01 0.00 -0.02 0.00 0.00 57.16 57.02 1wvl n GLU 78 Cb 0.12 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.06 1wvl n GLU 78 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1wvl n LEU 79 N -0.90 1.44 0.00 -4.62 4.77 0.21 -5.11 117.00 112.79 1wvl n LEU 79 Ca 0.22 -1.20 0.00 0.00 -0.03 0.00 0.00 56.01 54.99 1wvl n LEU 79 Cb 0.17 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1wvl n LEU 79 CO 0.19 0.34 0.00 1.41 -1.33 0.00 0.00 177.39 177.99