#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 -0.04 -0.46 1.12 1.01 -1.26 -5.00 120.40 115.76 1wvl s VAL 2 Ca 0.00 0.15 -0.17 0.00 0.00 0.00 0.00 61.98 61.96 1wvl s VAL 2 Cb 0.00 -0.11 0.05 0.00 0.00 0.00 0.00 36.38 36.32 1wvl s VAL 2 CO 0.00 0.06 0.49 -0.54 0.00 0.00 0.00 175.10 175.11 1wvl s LYS 3 N 0.80 3.07 -0.07 2.72 1.02 -1.26 -0.21 119.74 125.81 1wvl s LYS 3 Ca -0.07 -0.97 -0.30 0.00 0.02 0.00 0.00 55.97 54.65 1wvl s LYS 3 Cb -0.09 -4.06 -0.02 0.00 -0.52 0.00 0.00 37.83 33.14 1wvl s LYS 3 CO -0.03 -1.02 1.00 0.54 -0.92 0.00 0.00 175.35 174.92 1wvl s VAL 4 N 2.15 4.81 -0.18 3.17 0.11 -0.64 -4.85 120.40 124.97 1wvl s VAL 4 Ca 0.11 2.05 -0.09 0.00 -2.93 0.00 0.00 61.98 61.12 1wvl s VAL 4 Cb -0.20 -4.32 -0.05 0.00 -1.53 0.00 0.00 36.38 30.29 1wvl s VAL 4 CO 0.11 0.06 0.12 -0.75 -3.33 0.00 0.00 175.10 171.31 1wvl s LYS 5 N 1.65 4.02 0.28 1.54 2.20 -1.26 -2.07 119.74 126.10 1wvl s LYS 5 Ca 0.50 -0.23 -0.08 0.00 -0.36 0.00 0.00 55.97 55.80 1wvl s LYS 5 Cb -0.19 -3.34 -0.00 0.00 -1.51 0.00 0.00 37.83 32.78 1wvl s LYS 5 CO 0.22 0.38 0.45 -0.59 -0.36 0.00 0.00 175.35 175.44 1wvl s PHE 6 N 0.12 0.69 -0.21 4.03 -0.71 -0.95 -4.96 117.98 115.99 1wvl s PHE 6 Ca 0.08 -1.01 0.02 0.00 -1.04 0.00 0.00 56.93 54.98 1wvl s PHE 6 Cb -0.11 0.03 0.04 0.00 -1.21 0.00 0.00 43.02 41.77 1wvl s PHE 6 CO -0.01 -1.02 -0.15 0.21 -1.34 0.00 0.00 175.22 172.91 1wvl s LYS 7 N -3.63 2.49 -0.10 1.99 2.20 -1.26 0.52 119.74 121.95 1wvl s LYS 7 Ca 0.27 -1.00 0.03 0.00 -0.36 0.00 0.00 55.97 54.91 1wvl s LYS 7 Cb 0.00 -2.63 0.01 0.00 -1.51 0.00 0.00 37.83 33.70 1wvl s LYS 7 CO 0.13 -0.38 -0.19 -0.47 -0.36 0.00 0.00 175.35 174.08 1wvl s TYR 8 N 1.26 2.17 -1.55 4.03 5.04 -0.69 -4.73 117.35 122.88 1wvl s TYR 8 Ca -0.01 -0.95 -0.11 0.00 -2.44 0.00 0.00 57.07 53.56 1wvl s TYR 8 Cb -0.16 -1.50 0.09 0.00 0.35 0.00 0.00 41.96 40.73 1wvl s TYR 8 CO -0.09 -0.43 0.76 1.63 -1.34 0.00 0.00 175.55 176.07 1wvl n LYS 9 N 3.85 -4.06 0.00 4.97 5.02 -1.26 -0.24 118.16 126.44 1wvl n LYS 9 Ca -0.20 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 1wvl n LYS 9 Cb 0.52 -5.09 0.00 0.00 -0.02 0.00 0.00 35.03 30.44 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 -1.64 2.30 3.59 0.72 0.00 -1.26 -4.97 105.19 103.93 1wvl n GLY 10 Ca -0.06 0.00 -0.41 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 3.87 -0.55 1.61 2.02 0.67 -4.98 118.70 121.34 1wvl s GLU 11 Ca 0.00 0.22 -0.26 0.00 0.02 0.00 0.00 54.97 54.94 1wvl s GLU 11 Cb 0.00 -3.73 -0.05 0.00 0.10 0.00 0.00 34.13 30.45 1wvl s GLU 11 CO 0.00 -0.56 2.14 -1.21 0.02 0.00 0.00 175.26 175.65 1wvl s GLU 12 N 2.53 2.35 0.62 1.61 0.41 -1.26 -1.70 118.70 123.27 1wvl s GLU 12 Ca 0.23 1.00 0.02 0.00 -0.41 0.00 0.00 54.97 55.82 1wvl s GLU 12 Cb -0.15 -4.49 0.08 0.00 -1.78 0.00 0.00 34.13 27.79 1wvl s GLU 12 CO 0.12 -3.02 0.86 0.15 -0.49 0.00 0.00 175.26 172.88 1wvl s LYS 13 N 7.67 2.13 -0.30 1.61 -0.14 0.19 -4.97 119.74 125.93 1wvl s LYS 13 Ca 0.82 -1.12 -0.08 0.00 -1.36 0.00 0.00 55.97 54.24 1wvl s LYS 13 Cb -0.15 -2.47 0.18 0.00 -1.68 0.00 0.00 37.83 33.72 1wvl s LYS 13 CO 0.23 -1.04 0.90 -2.00 -0.76 0.00 0.00 175.35 172.69 1wvl s GLU 14 N -4.89 0.30 -0.04 1.68 2.12 -1.26 -2.23 118.70 114.38 1wvl s GLU 14 Ca 0.62 0.43 0.05 0.00 0.36 0.00 0.00 54.97 56.44 1wvl s GLU 14 Cb -0.07 0.23 -0.02 0.00 0.26 0.00 0.00 34.13 34.52 1wvl s GLU 14 CO 0.41 -0.41 -0.18 0.54 -0.54 0.00 0.00 175.26 175.07 1wvl s VAL 15 N 2.92 2.71 0.11 3.70 0.11 -0.88 -4.92 120.40 124.16 1wvl s VAL 15 Ca 0.12 -0.87 -0.31 0.00 -2.93 0.00 0.00 61.98 57.99 1wvl s VAL 15 Cb -0.09 -2.03 -0.08 0.00 -1.53 0.00 0.00 36.38 32.66 1wvl s VAL 15 CO -0.18 0.58 1.36 -0.62 -3.33 0.00 0.00 175.10 172.92 1wvl s ASP 16 N -0.70 6.86 0.38 3.54 3.68 -1.26 -1.62 116.67 127.55 1wvl s ASP 16 Ca 0.11 2.29 0.18 0.00 2.13 0.00 0.00 52.55 57.27 1wvl s ASP 16 Cb -0.10 -2.59 0.99 0.00 -1.45 0.00 0.00 42.92 39.77 1wvl s ASP 16 CO 0.00 -0.62 1.50 0.71 0.13 0.00 0.00 175.17 176.88 1wvl h THR 17 N 4.25 0.00 0.00 1.71 1.35 -0.97 0.14 112.91 119.39 1wvl h THR 17 Ca -0.42 0.00 -0.10 0.00 -0.55 0.00 0.00 66.41 65.34 1wvl h THR 17 Cb 1.21 0.41 -0.01 0.00 -1.73 0.00 0.00 68.15 68.02 1wvl h THR 17 CO 0.85 0.00 -0.45 0.77 -0.25 0.00 0.00 175.52 176.44 1wvl h SER 18 N 0.00 0.00 1.23 5.36 4.64 -1.89 -2.91 113.55 119.99 1wvl h SER 18 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wvl h SER 18 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1wvl h SER 18 CO 0.00 0.45 -0.06 0.29 -0.87 0.00 0.00 176.83 176.64 1wvl n LYS 19 N -3.69 0.16 -1.68 4.77 5.02 0.48 -4.87 118.16 118.35 1wvl n LYS 19 Ca -0.01 0.12 -0.45 0.00 -2.02 0.00 0.00 58.31 55.96 1wvl n LYS 19 Cb 0.53 -1.68 -0.04 0.00 -0.02 0.00 0.00 35.03 33.82 1wvl n LYS 19 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1wvl n ILE 20 N -1.95 0.32 -0.09 -0.18 2.08 -1.10 -1.31 119.36 117.13 1wvl n ILE 20 Ca 0.06 -0.06 -0.11 0.00 0.56 0.00 0.00 62.75 63.20 1wvl n ILE 20 Cb 0.40 -1.92 -0.15 0.00 -0.75 0.00 0.00 39.64 37.21 1wvl n ILE 20 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1wvl n LYS 21 N 5.32 0.68 -3.62 0.38 5.02 0.12 -4.92 118.16 121.14 1wvl n LYS 21 Ca 0.19 0.06 -0.14 0.00 -2.02 0.00 0.00 58.31 56.39 1wvl n LYS 21 Cb 0.33 -1.56 -0.07 0.00 -0.02 0.00 0.00 35.03 33.71 1wvl n LYS 21 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1wvl s LYS 22 N -2.51 0.85 -0.01 1.97 2.20 -1.00 -4.97 119.74 116.27 1wvl s LYS 22 Ca -0.13 0.88 0.02 0.00 -0.36 0.00 0.00 55.97 56.38 1wvl s LYS 22 Cb 0.07 0.41 -0.00 0.00 -1.51 0.00 0.00 37.83 36.80 1wvl s LYS 22 CO 0.79 -0.13 -0.08 0.08 -0.36 0.00 0.00 175.35 175.66 1wvl s VAL 23 N 0.16 0.66 0.11 4.02 1.01 -1.26 -1.04 120.40 124.05 1wvl s VAL 23 Ca -0.02 -0.32 -0.09 0.00 0.00 0.00 0.00 61.98 61.55 1wvl s VAL 23 Cb -0.04 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.76 1wvl s VAL 23 CO 0.02 0.20 0.23 -1.66 0.00 0.00 0.00 175.10 173.90 1wvl s TRP 24 N 0.02 0.17 -0.12 5.22 -2.14 -0.68 -4.79 118.94 116.62 1wvl s TRP 24 Ca 0.00 -0.58 -0.03 0.00 2.66 0.00 0.00 56.10 58.16 1wvl s TRP 24 Cb -0.06 -0.02 -0.03 0.00 -3.10 0.00 0.00 33.47 30.26 1wvl s TRP 24 CO -0.00 -0.60 -0.01 0.50 -2.66 0.00 0.00 176.95 174.18 1wvl s ARG 25 N -3.88 3.30 -0.44 3.25 3.52 -1.26 -1.27 118.95 122.17 1wvl s ARG 25 Ca 0.08 -0.45 0.02 0.00 -0.13 0.00 0.00 55.73 55.25 1wvl s ARG 25 Cb 0.04 -2.86 0.14 0.00 -1.56 0.00 0.00 34.95 30.71 1wvl s ARG 25 CO -0.09 0.50 0.25 0.08 -0.81 0.00 0.00 175.30 175.24 1wvl s VAL 26 N -0.32 1.22 0.00 7.11 1.01 0.16 -4.99 120.40 124.59 1wvl s VAL 26 Ca 0.06 -2.51 0.00 0.00 0.00 0.00 0.00 61.98 59.53 1wvl s VAL 26 Cb -0.12 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.40 1wvl s VAL 26 CO 0.02 -0.93 0.00 0.61 0.00 0.00 0.00 175.10 174.80 1wvl n GLY 27 N 3.51 1.82 1.14 4.51 0.00 -1.26 -1.51 105.19 113.38 1wvl n GLY 27 Ca 0.11 -0.44 0.10 0.00 0.00 0.00 0.00 46.02 45.79 1wvl n GLY 27 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wvl n LYS 28 N 12.64 2.43 -3.83 1.61 5.02 -1.26 -4.90 118.16 129.87 1wvl n LYS 28 Ca 0.00 -2.22 -0.35 0.00 -2.02 0.00 0.00 58.31 53.72 1wvl n LYS 28 Cb 0.00 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.47 1wvl n LYS 28 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1wvl s MET 29 N -1.21 3.51 -0.23 1.97 1.75 -0.57 -1.31 119.30 123.20 1wvl s MET 29 Ca 0.41 -0.16 -0.01 0.00 -1.25 0.00 0.00 55.69 54.69 1wvl s MET 29 Cb 0.22 -3.12 0.03 0.00 2.84 0.00 0.00 34.83 34.80 1wvl s MET 29 CO 0.29 0.69 -0.09 0.08 -0.65 0.00 0.00 175.02 175.33 1wvl s VAL 30 N -1.23 2.66 0.28 10.11 1.01 -0.62 -0.67 120.40 131.94 1wvl s VAL 30 Ca 0.24 -1.05 0.07 0.00 0.00 0.00 0.00 61.98 61.25 1wvl s VAL 30 Cb -0.13 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 1wvl s VAL 30 CO 0.14 0.25 0.21 -0.44 0.00 0.00 0.00 175.10 175.27 1wvl s SER 31 N 1.30 5.40 -0.10 3.32 0.01 -0.40 -1.94 113.70 121.29 1wvl s SER 31 Ca 0.00 -0.35 -0.30 0.00 1.31 0.00 0.00 55.95 56.62 1wvl s SER 31 Cb -0.16 -1.24 0.11 0.00 0.21 0.00 0.00 66.02 64.93 1wvl s SER 31 CO -0.06 -0.13 0.89 0.72 0.41 0.00 0.00 173.24 175.07 1wvl s PHE 32 N -2.20 -0.44 -0.03 2.43 -0.12 -0.29 -1.69 117.98 115.64 1wvl s PHE 32 Ca 0.35 0.67 0.03 0.00 -0.05 0.00 0.00 56.93 57.93 1wvl s PHE 32 Cb -0.07 0.46 -0.03 0.00 -0.63 0.00 0.00 43.02 42.75 1wvl s PHE 32 CO 0.25 -0.45 -0.09 0.95 -0.05 0.00 0.00 175.22 175.83 1wvl s THR 33 N -1.54 3.51 0.42 -4.49 -4.23 -0.21 -1.50 115.64 107.60 1wvl s THR 33 Ca -0.03 -0.70 0.03 0.00 -1.18 0.00 0.00 61.69 59.82 1wvl s THR 33 Cb -0.00 -2.47 -0.02 0.00 1.34 0.00 0.00 72.50 71.34 1wvl s THR 33 CO 0.01 0.49 0.11 -0.72 -0.54 0.00 0.00 174.62 173.97 1wvl s TYR 34 N -0.89 1.81 -0.72 3.99 1.13 0.48 0.16 117.35 123.31 1wvl s TYR 34 Ca 0.14 -1.22 -0.19 0.00 -1.41 0.00 0.00 57.07 54.39 1wvl s TYR 34 Cb -0.11 -1.23 0.11 0.00 -1.10 0.00 0.00 41.96 39.63 1wvl s TYR 34 CO 0.04 -0.21 0.90 0.34 -2.51 0.00 0.00 175.55 174.11 1wvl s ASP 35 N -3.64 6.35 -0.78 -0.18 2.15 -0.43 -1.06 116.67 119.08 1wvl s ASP 35 Ca 0.22 -1.59 -0.08 0.00 0.43 0.00 0.00 52.55 51.53 1wvl s ASP 35 Cb 0.03 -2.35 -0.18 0.00 -0.30 0.00 0.00 42.92 40.11 1wvl s ASP 35 CO 0.13 -1.15 3.27 -0.67 -0.17 0.00 0.00 175.17 176.58 1wvl n ASP 36 N 6.58 6.85 -3.07 -0.34 -0.08 0.29 -4.58 116.55 122.21 1wvl n ASP 36 Ca 0.03 -2.51 -0.00 0.00 -1.51 0.00 0.00 54.79 50.80 1wvl n ASP 36 Cb 0.45 -1.47 0.00 0.00 2.34 0.00 0.00 41.12 42.45 1wvl n ASP 36 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1wvl n ASN 37 N 3.04 -7.77 0.00 1.67 2.85 -1.26 -3.61 115.26 110.19 1wvl n ASN 37 Ca 0.59 -0.09 0.00 0.00 -0.11 0.00 0.00 54.58 54.98 1wvl n ASN 37 Cb 0.57 -5.28 0.00 0.00 1.24 0.00 0.00 39.78 36.31 1wvl n ASN 37 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wvl n GLY 38 N -1.76 2.57 3.91 8.20 0.00 -1.26 -5.01 105.19 111.84 1wvl n GLY 38 Ca -0.00 -0.58 -0.27 0.00 0.00 0.00 0.00 46.02 45.16 1wvl n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wvl s LYS 39 N 0.00 3.55 -0.18 1.61 0.00 -1.24 -5.04 119.74 118.44 1wvl s LYS 39 Ca 0.00 0.14 -0.29 0.00 0.00 0.00 0.00 55.97 55.82 1wvl s LYS 39 Cb 0.00 -2.43 -0.00 0.00 0.00 0.00 0.00 37.83 35.40 1wvl s LYS 39 CO 0.00 -0.13 1.09 0.99 0.00 0.00 0.00 175.35 177.30 1wvl s THR 40 N -2.64 4.58 0.29 3.79 2.01 -1.26 0.11 115.64 122.52 1wvl s THR 40 Ca 0.46 1.90 0.07 0.00 0.31 0.00 0.00 61.69 64.44 1wvl s THR 40 Cb -0.10 -4.22 -0.03 0.00 0.01 0.00 0.00 72.50 68.15 1wvl s THR 40 CO 0.42 -0.12 0.22 -0.83 -0.69 0.00 0.00 174.62 173.62 1wvl s GLY 41 N 1.37 1.59 0.15 4.40 0.00 -0.23 -4.81 107.32 109.79 1wvl s GLY 41 Ca 0.48 -1.54 0.04 0.00 0.00 0.00 0.00 44.72 43.70 1wvl s GLY 41 CO 0.11 -1.53 -0.08 0.50 0.00 0.00 0.00 173.10 172.10 1wvl s ARG 42 N -3.89 1.06 -0.21 2.90 0.52 -1.26 -0.39 118.95 117.68 1wvl s ARG 42 Ca 0.36 -1.46 -0.35 0.00 -0.52 0.00 0.00 55.73 53.75 1wvl s ARG 42 Cb -0.07 -0.54 0.14 0.00 0.52 0.00 0.00 34.95 35.00 1wvl s ARG 42 CO 0.25 0.03 1.24 0.20 0.02 0.00 0.00 175.30 177.04 1wvl s GLY 43 N -3.17 -0.26 -0.17 -3.53 0.00 -0.56 -4.94 107.32 94.70 1wvl s GLY 43 Ca 0.18 1.73 -0.15 0.00 0.00 0.00 0.00 44.72 46.47 1wvl s GLY 43 CO 0.01 0.59 0.45 0.00 0.00 0.00 0.00 173.10 174.15 1wvl s ALA 44 N -2.25 -1.10 0.19 3.20 0.00 -1.26 -1.14 121.76 119.39 1wvl s ALA 44 Ca 0.09 1.26 0.05 0.00 0.00 0.00 0.00 51.96 53.36 1wvl s ALA 44 Cb -0.01 -0.74 -0.05 0.00 0.00 0.00 0.00 23.12 22.33 1wvl s ALA 44 CO -0.04 -0.21 -0.07 0.14 0.00 0.00 0.00 175.76 175.58 1wvl s VAL 45 N 0.26 1.19 0.10 0.00 -7.23 -0.82 -4.62 120.40 109.28 1wvl s VAL 45 Ca -0.00 -2.07 -0.25 0.00 -1.81 0.00 0.00 61.98 57.85 1wvl s VAL 45 Cb -0.03 -2.07 -0.07 0.00 0.56 0.00 0.00 36.38 34.77 1wvl s VAL 45 CO 0.00 -0.56 0.78 -0.94 -0.31 0.00 0.00 175.10 174.07 1wvl s SER 46 N -3.24 7.30 0.26 4.85 1.04 -1.26 -1.59 113.70 121.06 1wvl s SER 46 Ca 0.22 1.55 0.15 0.00 0.48 0.00 0.00 55.95 58.35 1wvl s SER 46 Cb 0.03 -2.49 0.93 0.00 0.10 0.00 0.00 66.02 64.60 1wvl s SER 46 CO 0.05 0.10 1.08 1.21 0.98 0.00 0.00 173.24 176.65 1wvl n GLU 47 N 2.27 -0.04 -0.34 4.02 2.13 -0.43 0.13 120.64 128.38 1wvl n GLU 47 Ca -0.04 0.94 0.13 0.00 0.66 0.00 0.00 57.16 58.86 1wvl n GLU 47 Cb 0.49 -1.70 0.34 0.00 0.27 0.00 0.00 31.44 30.84 1wvl n GLU 47 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1wvl h LYS 48 N 0.00 0.72 -0.02 5.31 3.64 -1.90 -1.43 116.57 122.89 1wvl h LYS 48 Ca 0.58 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.92 1wvl h LYS 48 Cb 1.56 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.22 1wvl h LYS 48 CO -0.52 0.48 -0.33 -0.25 -2.27 0.00 0.00 179.45 176.56 1wvl n ASP 49 N -4.73 2.03 -4.69 4.20 9.92 0.34 -4.94 116.55 118.68 1wvl n ASP 49 Ca 0.23 -1.51 -0.42 0.00 -0.53 0.00 0.00 54.79 52.56 1wvl n ASP 49 Cb 0.58 0.31 -0.03 0.00 -0.64 0.00 0.00 41.12 41.34 1wvl n ASP 49 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wvl s ALA 50 N -2.37 3.71 0.53 2.24 0.00 -0.54 -4.93 121.76 120.40 1wvl s ALA 50 Ca 0.22 1.31 -0.21 0.00 0.00 0.00 0.00 51.96 53.28 1wvl s ALA 50 Cb 0.19 -3.73 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 1wvl s ALA 50 CO 0.50 -1.19 1.22 -1.25 0.00 0.00 0.00 175.76 175.05 1wvl s PRO 51 N 2.80 3.33 0.41 0.00 0.04 -1.26 -4.80 135.00 135.51 1wvl s PRO 51 Ca 0.78 1.88 0.22 0.00 0.04 0.00 0.00 61.00 63.91 1wvl s PRO 51 Cb -0.42 -2.18 1.20 0.00 0.04 0.00 0.00 34.50 33.14 1wvl s PRO 51 CO 0.34 -0.94 1.72 -0.22 0.04 0.00 0.00 177.00 177.95 1wvl h LYS 52 N 1.46 0.28 -0.28 4.56 1.63 -1.97 -1.11 116.57 121.13 1wvl h LYS 52 Ca -0.50 -0.02 0.01 0.00 -0.85 0.00 0.00 60.65 59.29 1wvl h LYS 52 Cb 1.28 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.82 1wvl h LYS 52 CO 0.58 0.19 0.16 1.49 -3.45 0.00 0.00 179.45 178.41 1wvl h GLU 53 N 0.29 0.32 -0.32 1.90 4.81 -2.00 -0.65 114.58 118.94 1wvl h GLU 53 Ca 0.67 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.87 1wvl h GLU 53 Cb 1.84 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 31.14 1wvl h GLU 53 CO -0.35 0.21 0.16 1.25 -0.73 0.00 0.00 179.01 179.55 1wvl h LEU 54 N 0.33 0.42 -2.28 1.64 5.85 -1.57 -1.41 115.31 118.29 1wvl h LEU 54 Ca 0.11 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1wvl h LEU 54 Cb 0.01 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 1wvl h LEU 54 CO -0.06 0.42 0.11 -0.07 -0.34 0.00 0.00 178.44 178.50 1wvl h LEU 55 N 0.39 0.00 -0.26 2.25 4.07 -1.08 -0.34 115.31 120.34 1wvl h LEU 55 Ca 0.11 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.86 1wvl h LEU 55 Cb 0.11 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.85 1wvl h LEU 55 CO -0.01 0.00 -0.73 0.44 -1.08 0.00 0.00 178.44 177.05 1wvl h ASP 56 N 0.00 0.81 -0.26 -0.43 3.32 -0.02 -0.13 116.42 119.71 1wvl h ASP 56 Ca 0.05 -0.52 -0.00 0.00 0.02 0.00 0.00 57.03 56.58 1wvl h ASP 56 Cb 0.27 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1wvl h ASP 56 CO -0.00 1.30 0.16 0.24 -1.72 0.00 0.00 179.24 179.22 1wvl h MET 57 N 0.48 0.35 -0.85 3.56 2.86 -0.69 -1.03 114.93 119.62 1wvl h MET 57 Ca -0.04 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.61 1wvl h MET 57 Cb 1.34 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.87 1wvl h MET 57 CO 0.14 0.27 0.54 1.25 1.06 0.00 0.00 176.91 180.17 1wvl h LEU 58 N 0.33 0.89 -1.71 1.22 5.85 -1.22 -1.24 115.31 119.44 1wvl h LEU 58 Ca 0.09 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 1wvl h LEU 58 Cb 0.01 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.84 1wvl h LEU 58 CO -0.02 0.60 -0.14 0.00 -0.34 0.00 0.00 178.44 178.55 1wvl h ALA 59 N 1.36 1.17 0.16 1.25 0.00 -0.27 -1.91 119.26 121.03 1wvl h ALA 59 Ca 0.34 -0.12 -0.30 0.00 0.00 0.00 0.00 54.91 54.83 1wvl h ALA 59 Cb 0.04 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.83 1wvl h ALA 59 CO -0.13 0.17 -1.30 0.00 0.00 0.00 0.00 179.25 178.00 1wvl h ARG 60 N 0.00 0.49 -0.21 0.00 3.08 -0.04 -1.46 114.38 116.24 1wvl h ARG 60 Ca -0.00 -0.73 -0.02 0.00 0.07 0.00 0.00 59.98 59.29 1wvl h ARG 60 Cb 0.45 0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 1wvl h ARG 60 CO 0.02 1.34 0.05 0.00 -1.07 0.00 0.00 179.97 180.30 1wvl h ALA 61 N 0.36 0.27 -0.41 0.04 0.00 -1.13 -2.80 119.26 115.59 1wvl h ALA 61 Ca -0.19 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 1wvl h ALA 61 Cb 1.99 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.68 1wvl h ALA 61 CO 0.24 -0.08 0.07 0.93 0.00 0.00 0.00 179.25 180.41 1wvl h GLU 62 N 0.15 0.67 -0.99 0.00 5.08 -1.43 -1.34 114.58 116.73 1wvl h GLU 62 Ca 0.06 -0.18 0.16 0.00 -1.00 0.00 0.00 59.36 58.41 1wvl h GLU 62 Cb 0.27 -0.08 -0.09 0.00 0.50 0.00 0.00 28.75 29.34 1wvl h GLU 62 CO 0.00 0.71 0.62 -0.09 -1.00 0.00 0.00 179.01 179.25 1wvl h ARG 63 N 0.53 0.81 0.04 2.33 2.43 -1.17 0.21 114.38 119.57 1wvl h ARG 63 Ca 0.13 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1wvl h ARG 63 Cb 0.36 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1wvl h ARG 63 CO 0.01 0.54 -0.02 1.49 -1.51 0.00 0.00 179.97 180.47 1wvl h GLU 64 N 0.84 -0.05 -0.07 0.20 4.57 -1.23 -3.13 114.58 115.71 1wvl h GLU 64 Ca 0.53 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.74 1wvl h GLU 64 Cb 0.74 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.34 1wvl h GLU 64 CO -0.32 0.60 0.24 0.87 -1.18 0.00 0.00 179.01 179.23 1wvl h LYS 65 N -0.82 0.00 0.00 1.92 1.57 -0.73 0.24 116.57 118.75 1wvl h LYS 65 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1wvl h LYS 65 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1wvl h LYS 65 CO 0.01 0.00 -0.41 0.87 -0.57 0.00 0.00 179.45 179.35 1wvl h LYS 66 N 0.00 0.00 0.16 3.15 1.79 -0.94 -2.70 116.57 118.03 1wvl h LYS 66 Ca 0.03 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.29 1wvl h LYS 66 Cb 0.52 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.19 1wvl h LYS 66 CO -0.00 0.00 -0.97 0.78 -1.08 0.00 0.00 179.45 178.18 1wvl h GLY 67 N 4.31 0.38 1.02 3.86 0.00 -0.47 -2.81 103.07 109.37 1wvl h GLY 67 Ca 0.00 -0.97 -0.08 0.00 0.00 0.00 0.00 47.33 46.28 1wvl h GLY 67 CO 0.00 0.85 0.03 -0.24 0.00 0.00 0.00 176.54 177.18 1wvl h VAL 68 N -0.29 1.26 -0.10 4.60 3.04 -1.62 -0.77 116.25 122.37 1wvl h VAL 68 Ca -0.17 -1.05 0.03 0.00 -1.01 0.00 0.00 66.70 64.49 1wvl h VAL 68 Cb 1.73 0.89 -0.00 0.00 -2.01 0.00 0.00 31.29 31.90 1wvl h VAL 68 CO 0.16 0.38 0.12 0.25 -1.01 0.00 0.00 177.57 177.47 1wvl h LEU 69 N 0.80 0.00 -0.10 3.16 5.85 -1.55 -0.18 115.31 123.30 1wvl h LEU 69 Ca 0.16 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.72 1wvl h LEU 69 Cb 0.49 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.52 1wvl h LEU 69 CO 0.02 0.00 -0.53 0.50 -0.34 0.00 0.00 178.44 178.09 1wvl h LYS 70 N 0.00 0.53 -0.51 1.25 3.64 -0.87 -0.52 116.57 120.08 1wvl h LYS 70 Ca 0.05 -0.44 -0.10 0.00 -1.27 0.00 0.00 60.65 58.88 1wvl h LYS 70 Cb 0.29 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 1wvl h LYS 70 CO -0.00 1.07 -0.09 0.87 -2.27 0.00 0.00 179.45 179.03 1wvl h LYS 71 N 0.13 0.95 -0.14 1.90 1.57 -0.74 -0.73 116.57 119.50 1wvl h LYS 71 Ca -0.04 -0.33 -0.05 0.00 -1.87 0.00 0.00 60.65 58.36 1wvl h LYS 71 Cb 1.18 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.42 1wvl h LYS 71 CO 0.11 0.99 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.80 1wvl h LEU 72 N 0.85 0.34 -2.40 2.94 3.38 -1.12 0.27 115.31 119.57 1wvl h LEU 72 Ca 0.14 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1wvl h LEU 72 Cb 0.63 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1wvl h LEU 72 CO 0.04 0.72 0.02 -0.09 0.09 0.00 0.00 178.44 179.23 1wvl h ARG 73 N -0.03 0.00 0.00 1.13 9.65 -0.95 -0.69 114.38 123.49 1wvl h ARG 73 Ca 0.03 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 1wvl h ARG 73 Cb 0.61 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.19 1wvl h ARG 73 CO 0.03 0.00 0.00 0.00 2.80 0.00 0.00 179.97 182.80 1wvl n ALA 74 N -1.96 -0.04 0.06 2.80 0.00 -0.29 -2.96 120.51 118.12 1wvl n ALA 74 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.43 1wvl n ALA 74 Cb 0.08 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.61 1wvl n ALA 74 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1wvl n VAL 75 N -1.04 0.60 0.00 0.00 0.24 0.80 -1.27 118.33 117.66 1wvl n VAL 75 Ca 0.00 0.59 0.00 0.00 -2.04 0.00 0.00 64.34 62.89 1wvl n VAL 75 Cb 0.00 -1.59 0.00 0.00 -1.47 0.00 0.00 33.84 30.78 1wvl n VAL 75 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1wvl n GLU 76 N -1.47 0.00 -0.08 7.34 2.13 -0.29 -3.94 120.64 124.34 1wvl n GLU 76 Ca -0.00 0.39 0.25 0.00 0.66 0.00 0.00 57.16 58.46 1wvl n GLU 76 Cb 0.38 -0.89 0.60 0.00 0.27 0.00 0.00 31.44 31.80 1wvl n GLU 76 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1wvl h ASN 77 N 0.00 0.00 0.00 4.31 2.35 -1.07 -1.27 115.58 119.90 1wvl h ASN 77 Ca 0.00 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.62 1wvl h ASN 77 Cb 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 1wvl h ASN 77 CO 0.00 0.00 -0.19 -0.62 -1.65 0.00 0.00 177.43 174.97 1wvl n GLU 78 N -3.47 1.50 0.00 0.81 1.02 -0.79 -4.66 120.64 115.04 1wvl n GLU 78 Ca 0.16 -0.70 0.00 0.00 -0.02 0.00 0.00 57.16 56.60 1wvl n GLU 78 Cb 1.11 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.74 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 2.46 0.00 0.00 -4.62 4.77 -0.48 -4.99 117.00 114.13 1wvl n LEU 79 Ca 0.30 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1wvl n LEU 79 Cb 0.70 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.79 1wvl n LEU 79 CO 0.13 0.00 0.00 1.57 -1.33 0.00 0.00 177.39 177.76