#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh4 s PHE 12 N 0.00 3.31 0.13 5.58 -0.71 -1.26 -4.93 117.98 120.10 2wh4 s PHE 12 Ca 0.00 -1.38 -0.18 0.00 -1.04 0.00 0.00 56.93 54.33 2wh4 s PHE 12 Cb 0.00 -3.24 -0.03 0.00 -1.21 0.00 0.00 43.02 38.54 2wh4 s PHE 12 CO 0.00 -0.88 1.76 0.00 -1.34 0.00 0.00 175.22 174.75 2wh4 h ARG 13 N 8.59 0.40 0.00 1.99 -0.00 -2.04 -3.48 114.38 119.84 2wh4 h ARG 13 Ca -0.25 -0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.19 2wh4 h ARG 13 Cb 1.09 -0.08 0.00 0.00 0.00 0.00 0.00 29.97 30.98 2wh4 h ARG 13 CO 0.85 0.31 0.00 0.28 0.00 0.00 0.00 179.97 181.41 2wh4 n VAL 14 N -4.85 0.00 -3.98 2.04 0.31 -1.26 -4.87 118.33 105.72 2wh4 n VAL 14 Ca -0.02 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.04 2wh4 n VAL 14 Cb 0.05 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.97 2wh4 n VAL 14 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wh4 n ARG 15 N 8.44 -3.74 0.07 5.55 5.12 -1.26 -4.76 116.66 126.09 2wh4 n ARG 15 Ca 0.00 0.45 -0.21 0.00 -1.93 0.00 0.00 57.85 56.15 2wh4 n ARG 15 Cb 0.00 -4.85 -0.15 0.00 -1.16 0.00 0.00 32.46 26.30 2wh4 n ARG 15 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 2wh4 h ASN 16 N -1.80 0.56 0.00 0.55 4.21 -1.89 -3.42 115.58 113.78 2wh4 h ASN 16 Ca -0.61 -0.81 0.00 0.00 1.21 0.00 0.00 56.30 56.08 2wh4 h ASN 16 Cb 1.38 -0.18 0.00 0.00 -1.12 0.00 0.00 38.32 38.39 2wh4 h ASN 16 CO 0.66 1.68 0.00 -2.11 -1.29 0.00 0.00 177.43 176.37 2wh4 n ARG 17 N -3.55 1.23 0.00 0.81 1.85 -1.26 -3.21 116.66 112.53 2wh4 n ARG 17 Ca -0.22 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.63 2wh4 n ARG 17 Cb 1.07 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.48 2wh4 n ARG 17 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 2wh4 n ILE 18 N -0.42 0.00 0.19 8.89 2.08 -1.26 -4.28 119.36 124.56 2wh4 n ILE 18 Ca 0.00 0.00 0.03 0.00 0.56 0.00 0.00 62.75 63.34 2wh4 n ILE 18 Cb 0.00 0.00 0.04 0.00 -0.75 0.00 0.00 39.64 38.93 2wh4 n ILE 18 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 2wh4 n LYS 19 N -1.81 0.49 -2.54 0.38 4.81 -1.20 -4.92 118.16 113.37 2wh4 n LYS 19 Ca 0.00 -1.07 -0.41 0.00 -0.87 0.00 0.00 58.31 55.96 2wh4 n LYS 19 Cb 0.00 -1.13 -0.03 0.00 0.02 0.00 0.00 35.03 33.89 2wh4 n LYS 19 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2wh4 s ARG 20 N -0.63 3.26 -0.07 1.64 1.81 -1.26 -4.73 118.95 118.98 2wh4 s ARG 20 Ca 0.09 -0.41 0.16 0.00 -1.72 0.00 0.00 55.73 53.85 2wh4 s ARG 20 Cb 0.06 -4.43 0.32 0.00 -0.45 0.00 0.00 34.95 30.45 2wh4 s ARG 20 CO 0.08 -2.18 1.15 2.41 -0.68 0.00 0.00 175.30 176.08 2wh4 n THR 21 N 6.51 0.78 -0.98 0.02 -1.04 -1.26 -4.72 114.28 113.59 2wh4 n THR 21 Ca 0.10 -1.51 0.09 0.00 -2.04 0.00 0.00 64.05 60.69 2wh4 n THR 21 Cb 0.49 0.44 0.16 0.00 -1.82 0.00 0.00 70.33 69.60 2wh4 n THR 21 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wh4 n GLY 22 N -0.24 4.56 1.09 3.41 0.00 -1.26 -5.10 105.19 107.64 2wh4 n GLY 22 Ca 0.09 -1.04 0.02 0.00 0.00 0.00 0.00 46.02 45.09 2wh4 n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh4 n ARG 23 N -1.15 -1.27 -2.43 1.61 1.74 -1.26 -4.76 116.66 109.13 2wh4 n ARG 23 Ca 0.16 1.00 -0.00 0.00 -0.77 0.00 0.00 57.85 58.24 2wh4 n ARG 23 Cb 0.67 -1.64 -0.00 0.00 -1.02 0.00 0.00 32.46 30.47 2wh4 n ARG 23 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2wh4 n LEU 24 N -2.55 -6.57 -4.70 0.55 7.99 -1.26 -4.15 117.00 106.31 2wh4 n LEU 24 Ca -0.01 1.18 -0.39 0.00 -0.01 0.00 0.00 56.01 56.77 2wh4 n LEU 24 Cb 0.18 -2.83 -0.05 0.00 -0.11 0.00 0.00 43.42 40.61 2wh4 n LEU 24 CO 0.00 -2.56 0.33 -0.13 -1.51 0.00 0.00 177.39 173.52 2wh4 s ARG 25 N -1.22 4.32 -0.98 3.23 0.52 0.13 -0.41 118.95 124.53 2wh4 s ARG 25 Ca -0.02 0.66 -0.03 0.00 -0.52 0.00 0.00 55.73 55.82 2wh4 s ARG 25 Cb 0.00 -3.49 0.28 0.00 0.52 0.00 0.00 34.95 32.26 2wh4 s ARG 25 CO 0.61 -0.02 1.18 -0.11 0.02 0.00 0.00 175.30 176.98 2wh4 n LEU 26 N 4.23 5.45 -4.77 2.53 0.00 0.14 0.88 117.00 125.47 2wh4 n LEU 26 Ca -0.03 -5.21 -0.39 0.00 0.00 0.00 0.00 56.01 50.38 2wh4 n LEU 26 Cb 0.51 -1.18 -0.04 0.00 0.00 0.00 0.00 43.42 42.71 2wh4 n LEU 26 CO 0.45 1.67 0.79 -0.55 0.00 0.00 0.00 177.39 179.75 2wh4 s SER 27 N -1.07 6.93 0.12 1.96 0.15 0.38 -2.74 113.70 119.43 2wh4 s SER 27 Ca 0.32 2.22 0.11 0.00 0.70 0.00 0.00 55.95 59.29 2wh4 s SER 27 Cb 0.02 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 61.68 2wh4 s SER 27 CO 0.01 -0.38 -0.26 -0.69 1.20 0.00 0.00 173.24 173.13 2wh4 s VAL 28 N -1.38 2.33 -0.04 4.45 1.01 -1.26 -0.97 120.40 124.55 2wh4 s VAL 28 Ca 0.52 -1.68 0.00 0.00 0.00 0.00 0.00 61.98 60.82 2wh4 s VAL 28 Cb -0.29 -2.03 0.03 0.00 0.00 0.00 0.00 36.38 34.09 2wh4 s VAL 28 CO 0.36 0.12 -0.02 0.12 0.00 0.00 0.00 175.10 175.69 2wh4 s PHE 29 N -1.04 0.53 -0.12 5.22 5.99 -0.87 -4.21 117.98 123.48 2wh4 s PHE 29 Ca 0.14 -0.10 0.03 0.00 0.00 0.00 0.00 56.93 57.00 2wh4 s PHE 29 Cb -0.10 -0.57 0.01 0.00 0.00 0.00 0.00 43.02 42.36 2wh4 s PHE 29 CO 0.06 -0.19 -0.21 0.50 -0.00 0.00 0.00 175.22 175.38 2wh4 s ARG 30 N 1.16 2.89 0.34 10.12 3.52 -1.26 -0.59 118.95 135.12 2wh4 s ARG 30 Ca -0.08 -0.81 0.07 0.00 -0.13 0.00 0.00 55.73 54.78 2wh4 s ARG 30 Cb -0.14 -2.30 -0.02 0.00 -1.56 0.00 0.00 34.95 30.94 2wh4 s ARG 30 CO -0.02 0.04 0.34 0.45 -0.81 0.00 0.00 175.30 175.30 2wh4 s SER 31 N 0.69 5.46 0.43 -2.12 0.15 -1.04 -4.99 113.70 112.27 2wh4 s SER 31 Ca -0.11 -0.42 0.12 0.00 0.70 0.00 0.00 55.95 56.24 2wh4 s SER 31 Cb -0.16 -1.03 0.94 0.00 -1.71 0.00 0.00 66.02 64.05 2wh4 s SER 31 CO 0.02 -0.38 1.98 -0.07 1.20 0.00 0.00 173.24 175.99 2wh4 h LEU 32 N 1.15 0.12 0.00 3.45 3.38 -2.06 -3.28 115.31 118.08 2wh4 h LEU 32 Ca -0.45 -0.02 -0.23 0.00 0.09 0.00 0.00 57.88 57.27 2wh4 h LEU 32 Cb 1.25 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 2wh4 h LEU 32 CO 0.57 0.25 -1.35 0.29 0.09 0.00 0.00 178.44 178.29 2wh4 n LYS 33 N -4.34 0.56 0.00 1.13 4.76 -1.26 -5.07 118.16 113.94 2wh4 n LYS 33 Ca -0.01 0.53 0.00 0.00 -2.87 0.00 0.00 58.31 55.95 2wh4 n LYS 33 Cb 0.23 -1.70 0.00 0.00 -1.84 0.00 0.00 35.03 31.71 2wh4 n LYS 33 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2wh4 n HIS 34 N -4.43 0.00 -3.63 2.13 8.25 -1.24 -4.97 115.22 111.33 2wh4 n HIS 34 Ca -0.32 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.10 2wh4 n HIS 34 Cb 0.66 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.71 2wh4 n HIS 34 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 2wh4 s ILE 35 N 1.55 -0.05 0.29 1.59 2.07 -1.26 -2.51 121.20 122.88 2wh4 s ILE 35 Ca 0.00 0.00 0.11 0.00 -1.41 0.00 0.00 60.65 59.35 2wh4 s ILE 35 Cb 0.00 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.54 2wh4 s ILE 35 CO 0.00 0.00 -0.16 -0.31 -1.91 0.00 0.00 174.94 172.56 2wh4 s TYR 36 N 1.53 2.35 -0.07 3.50 1.51 0.24 -0.66 117.35 125.75 2wh4 s TYR 36 Ca -0.09 -0.35 -0.04 0.00 -1.01 0.00 0.00 57.07 55.59 2wh4 s TYR 36 Cb -0.04 -1.07 0.04 0.00 -0.11 0.00 0.00 41.96 40.77 2wh4 s TYR 36 CO -0.17 0.69 0.17 0.00 -1.11 0.00 0.00 175.55 175.12 2wh4 s ALA 37 N -2.51 -0.33 -0.06 3.71 0.00 -1.25 -2.05 121.76 119.27 2wh4 s ALA 37 Ca 0.31 0.71 0.02 0.00 0.00 0.00 0.00 51.96 52.99 2wh4 s ALA 37 Cb -0.04 -0.46 0.01 0.00 0.00 0.00 0.00 23.12 22.63 2wh4 s ALA 37 CO 0.16 -0.15 -0.11 -0.65 0.00 0.00 0.00 175.76 175.01 2wh4 s GLN 38 N 1.05 1.54 -0.52 0.00 -0.21 -0.14 -1.75 119.66 119.64 2wh4 s GLN 38 Ca -0.08 -0.35 -0.17 0.00 0.02 0.00 0.00 55.36 54.78 2wh4 s GLN 38 Cb -0.10 -1.31 0.09 0.00 1.00 0.00 0.00 33.01 32.69 2wh4 s GLN 38 CO -0.06 0.00 0.52 0.42 -2.12 0.00 0.00 175.29 174.05 2wh4 s ILE 39 N 0.73 5.09 -0.12 1.08 -1.09 -0.94 -0.47 121.20 125.48 2wh4 s ILE 39 Ca -0.14 -1.05 -0.03 0.00 -2.23 0.00 0.00 60.65 57.21 2wh4 s ILE 39 Cb -0.15 -4.27 -0.03 0.00 -1.58 0.00 0.00 42.46 36.42 2wh4 s ILE 39 CO 0.03 -0.78 -0.01 -0.63 -1.23 0.00 0.00 174.94 172.31 2wh4 s ILE 40 N 1.99 4.15 -0.71 2.92 1.01 0.25 -1.80 121.20 129.02 2wh4 s ILE 40 Ca 0.07 -0.29 -0.10 0.00 0.00 0.00 0.00 60.65 60.33 2wh4 s ILE 40 Cb -0.25 -2.78 0.18 0.00 0.01 0.00 0.00 42.46 39.62 2wh4 s ILE 40 CO 0.07 0.55 0.60 -0.62 0.00 0.00 0.00 174.94 175.54 2wh4 s ASP 41 N -0.28 6.15 0.72 3.58 2.15 -0.47 -0.70 116.67 127.81 2wh4 s ASP 41 Ca 0.06 -2.59 0.00 0.00 0.43 0.00 0.00 52.55 50.45 2wh4 s ASP 41 Cb -0.12 -2.08 0.00 0.00 -0.30 0.00 0.00 42.92 40.41 2wh4 s ASP 41 CO 0.02 -0.55 0.00 0.47 -0.17 0.00 0.00 175.17 174.94 2wh4 n ASP 42 N 4.03 -1.06 0.00 -0.34 9.92 -1.26 -2.29 116.55 125.55 2wh4 n ASP 42 Ca 0.07 -0.19 0.00 0.00 -0.53 0.00 0.00 54.79 54.15 2wh4 n ASP 42 Cb 0.43 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.91 2wh4 n ASP 42 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2wh4 n GLU 43 N -1.24 -0.85 0.00 -1.24 -0.58 -1.26 -4.07 120.64 111.40 2wh4 n GLU 43 Ca 0.00 0.21 0.00 0.00 -0.42 0.00 0.00 57.16 56.95 2wh4 n GLU 43 Cb 0.00 -4.49 0.00 0.00 -0.57 0.00 0.00 31.44 26.38 2wh4 n GLU 43 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2wh4 n LYS 44 N -0.79 0.83 -3.33 3.49 5.02 -1.20 -5.08 118.16 117.11 2wh4 n LYS 44 Ca 0.00 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.14 2wh4 n LYS 44 Cb 0.21 -0.07 0.04 0.00 -0.02 0.00 0.00 35.03 35.19 2wh4 n LYS 44 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wh4 n GLY 45 N -0.02 -1.17 3.39 0.72 0.00 -0.97 -5.03 105.19 102.11 2wh4 n GLY 45 Ca 0.00 0.52 -0.15 0.00 0.00 0.00 0.00 46.02 46.39 2wh4 n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wh4 s VAL 46 N -3.25 0.02 -0.29 1.61 1.01 -1.20 -5.04 120.40 113.26 2wh4 s VAL 46 Ca 0.28 -0.19 -0.10 0.00 0.00 0.00 0.00 61.98 61.97 2wh4 s VAL 46 Cb -0.06 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 2wh4 s VAL 46 CO 0.78 -0.11 0.15 -0.89 0.00 0.00 0.00 175.10 175.04 2wh4 s THR 47 N -0.99 4.75 -0.07 3.92 2.01 -1.26 -1.37 115.64 122.62 2wh4 s THR 47 Ca -0.10 -0.21 -0.19 0.00 0.31 0.00 0.00 61.69 61.50 2wh4 s THR 47 Cb -0.03 -3.34 -0.15 0.00 0.01 0.00 0.00 72.50 68.99 2wh4 s THR 47 CO 0.06 0.16 0.71 -0.07 -0.69 0.00 0.00 174.62 174.80 2wh4 h LEU 48 N 8.34 -0.13 -9.13 4.42 4.07 -1.74 -3.48 115.31 117.66 2wh4 h LEU 48 Ca -0.34 -0.40 -0.48 0.00 0.08 0.00 0.00 57.88 56.73 2wh4 h LEU 48 Cb 1.16 0.03 -0.14 0.00 1.08 0.00 0.00 40.66 42.80 2wh4 h LEU 48 CO 0.59 0.49 -0.66 -0.69 -1.08 0.00 0.00 178.44 177.09 2wh4 s VAL 49 N -2.91 1.54 -0.18 1.22 1.01 -1.25 -5.04 120.40 114.79 2wh4 s VAL 49 Ca -0.12 -2.10 -0.28 0.00 0.00 0.00 0.00 61.98 59.48 2wh4 s VAL 49 Cb -0.00 -2.49 0.10 0.00 0.00 0.00 0.00 36.38 33.99 2wh4 s VAL 49 CO 0.43 -0.26 0.88 -0.94 0.00 0.00 0.00 175.10 175.21 2wh4 s SER 50 N -3.44 -0.52 -0.45 3.32 1.04 -1.26 -2.22 113.70 110.17 2wh4 s SER 50 Ca 0.30 0.78 0.05 0.00 0.48 0.00 0.00 55.95 57.56 2wh4 s SER 50 Cb 0.05 0.71 0.18 0.00 0.10 0.00 0.00 66.02 67.05 2wh4 s SER 50 CO 0.12 -0.34 0.48 0.00 0.98 0.00 0.00 173.24 174.49 2wh4 s ALA 51 N -0.52 -0.04 0.38 5.32 0.00 -0.72 -4.90 121.76 121.29 2wh4 s ALA 51 Ca -0.02 -1.59 -0.27 0.00 0.00 0.00 0.00 51.96 50.08 2wh4 s ALA 51 Cb -0.02 -2.04 -0.09 0.00 0.00 0.00 0.00 23.12 20.96 2wh4 s ALA 51 CO 0.01 -2.08 1.26 -1.54 0.00 0.00 0.00 175.76 173.41 2wh4 s SER 52 N 0.47 6.52 0.00 0.00 1.04 -1.26 -3.80 113.70 116.67 2wh4 s SER 52 Ca 0.30 2.57 0.00 0.00 0.48 0.00 0.00 55.95 59.31 2wh4 s SER 52 Cb 0.01 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.49 2wh4 s SER 52 CO -0.13 -0.70 0.00 -0.24 0.98 0.00 0.00 173.24 173.15 2wh4 n SER 53 N 0.33 0.00 0.21 7.02 2.88 0.17 -3.76 113.62 120.48 2wh4 n SER 53 Ca 0.03 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.67 2wh4 n SER 53 Cb 0.44 0.00 0.57 0.00 -0.75 0.00 0.00 64.21 64.47 2wh4 n SER 53 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2wh4 h LEU 54 N 0.00 0.00 -1.06 2.46 -0.00 -1.82 0.17 115.31 115.06 2wh4 h LEU 54 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2wh4 h LEU 54 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2wh4 h LEU 54 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.44 2wh4 n ALA 55 N -1.72 2.28 -2.02 1.53 0.00 -1.26 -0.50 120.51 118.83 2wh4 n ALA 55 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.42 2wh4 n ALA 55 Cb 0.25 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.69 2wh4 n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wh4 n LEU 56 N 0.10 -0.01 0.00 0.00 0.00 0.59 -4.87 117.00 112.81 2wh4 n LEU 56 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 56.01 54.94 2wh4 n LEU 56 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.65 2wh4 n LEU 56 CO 0.00 0.72 0.00 1.17 0.00 0.00 0.00 177.39 179.28 2wh4 n LYS 57 N 0.02 0.00 -0.39 1.96 4.81 0.35 -5.05 118.16 119.86 2wh4 n LYS 57 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 2wh4 n LYS 57 Cb 0.61 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.66 2wh4 n LYS 57 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2wh4 n LEU 58 N 0.00 -1.96 0.00 3.14 7.94 -1.26 -3.25 117.00 121.60 2wh4 n LEU 58 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2wh4 n LEU 58 Cb 0.00 -0.58 0.00 0.00 0.53 0.00 0.00 43.42 43.37 2wh4 n LEU 58 CO 0.00 0.00 0.00 0.29 -1.11 0.00 0.00 177.39 176.57 2wh4 n LYS 59 N -0.05 0.00 -0.00 1.96 5.02 -1.26 -4.71 118.16 119.12 2wh4 n LYS 59 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 2wh4 n LYS 59 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.97 2wh4 n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wh4 n GLY 60 N 0.00 -0.15 3.60 0.72 0.00 -1.26 -4.99 105.19 103.11 2wh4 n GLY 60 Ca 0.00 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 2wh4 n GLY 60 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wh4 s ASN 61 N -2.48 2.10 0.00 1.61 3.84 -1.26 -5.03 114.94 113.72 2wh4 s ASN 61 Ca -0.01 1.89 0.00 0.00 0.21 0.00 0.00 52.86 54.95 2wh4 s ASN 61 Cb 0.04 -2.46 0.00 0.00 -0.55 0.00 0.00 41.25 38.28 2wh4 s ASN 61 CO 0.23 -3.57 0.00 1.17 -2.79 0.00 0.00 177.10 172.15 2wh4 n LYS 62 N -4.52 0.00 0.00 0.43 3.00 -1.26 -4.35 118.16 111.46 2wh4 n LYS 62 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 2wh4 n LYS 62 Cb 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 35.03 35.54 2wh4 n LYS 62 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2wh4 n THR 63 N -0.78 0.00 -0.34 3.15 -2.24 -1.26 -0.97 114.28 111.84 2wh4 n THR 63 Ca 0.00 0.20 0.07 0.00 -2.27 0.00 0.00 64.05 62.05 2wh4 n THR 63 Cb 0.00 -0.37 0.15 0.00 -2.10 0.00 0.00 70.33 68.01 2wh4 n THR 63 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2wh4 h GLU 64 N 0.00 0.00 -0.03 -0.78 4.57 -1.94 1.38 114.58 117.79 2wh4 h GLU 64 Ca 0.00 -0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.19 2wh4 h GLU 64 Cb 0.00 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2wh4 h GLU 64 CO 0.00 0.00 0.33 0.28 -1.18 0.00 0.00 179.01 178.45 2wh4 h VAL 65 N 0.00 0.03 0.14 0.32 2.07 -1.25 -0.55 116.25 117.01 2wh4 h VAL 65 Ca 0.48 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.76 2wh4 h VAL 65 Cb 0.78 0.67 0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2wh4 h VAL 65 CO -0.96 0.00 -1.10 0.00 0.02 0.00 0.00 177.57 175.54 2wh4 h ALA 66 N 1.36 0.00 -0.62 1.67 0.00 0.30 -2.92 119.26 119.05 2wh4 h ALA 66 Ca 0.01 -0.86 0.13 0.00 0.00 0.00 0.00 54.91 54.20 2wh4 h ALA 66 Cb 0.68 0.25 -0.10 0.00 0.00 0.00 0.00 17.79 18.61 2wh4 h ALA 66 CO -0.00 0.57 0.02 0.00 0.00 0.00 0.00 179.25 179.84 2wh4 h ARG 67 N -0.30 0.13 0.17 0.00 3.08 -0.95 0.23 114.38 116.73 2wh4 h ARG 67 Ca -0.21 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.83 2wh4 h ARG 67 Cb 1.73 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.74 2wh4 h ARG 67 CO 0.13 0.09 -0.14 1.96 -1.07 0.00 0.00 179.97 180.93 2wh4 h GLN 68 N 0.13 -0.32 -0.06 0.04 7.50 -1.60 0.22 115.11 121.02 2wh4 h GLN 68 Ca 0.33 0.02 0.02 0.00 0.50 0.00 0.00 58.65 59.52 2wh4 h GLN 68 Cb 0.53 0.07 -0.00 0.00 0.05 0.00 0.00 27.48 28.13 2wh4 h GLN 68 CO -0.52 -0.21 0.27 -0.24 -1.50 0.00 0.00 178.83 176.63 2wh4 h VAL 69 N -0.33 0.09 0.00 -0.54 3.04 -0.69 0.22 116.25 118.04 2wh4 h VAL 69 Ca -0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2wh4 h VAL 69 Cb 0.30 0.74 0.00 0.00 -2.01 0.00 0.00 31.29 30.33 2wh4 h VAL 69 CO -0.02 0.00 -0.10 1.23 -1.01 0.00 0.00 177.57 177.66 2wh4 h GLY 70 N 0.00 0.00 0.71 3.17 0.00 0.17 -3.01 103.07 104.11 2wh4 h GLY 70 Ca 0.03 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.45 2wh4 h GLY 70 CO -0.00 0.00 0.56 3.21 0.00 0.00 0.00 176.54 180.31 2wh4 h ARG 71 N -0.99 0.00 -0.09 4.80 3.08 0.21 0.99 114.38 122.39 2wh4 h ARG 71 Ca 0.00 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.81 2wh4 h ARG 71 Cb 0.10 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.16 2wh4 h ARG 71 CO 0.00 0.00 -0.88 0.00 -1.07 0.00 0.00 179.97 178.02 2wh4 h ALA 72 N 1.18 0.25 -0.25 0.04 0.00 -0.66 -0.20 119.26 119.63 2wh4 h ALA 72 Ca 0.15 -0.64 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 2wh4 h ALA 72 Cb 1.27 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2wh4 h ALA 72 CO -0.00 0.69 -0.08 1.25 0.00 0.00 0.00 179.25 181.11 2wh4 h LEU 73 N 0.47 0.51 -0.20 0.00 6.46 0.92 -2.02 115.31 121.46 2wh4 h LEU 73 Ca -0.08 -0.38 0.03 0.00 -0.12 0.00 0.00 57.88 57.32 2wh4 h LEU 73 Cb 1.52 -0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 41.26 2wh4 h LEU 73 CO 0.18 0.77 -0.39 0.00 -0.62 0.00 0.00 178.44 178.38 2wh4 h ALA 74 N 0.75 -0.69 -0.01 1.25 0.00 -0.24 0.36 119.26 120.68 2wh4 h ALA 74 Ca 0.06 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2wh4 h ALA 74 Cb 0.56 0.95 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 2wh4 h ALA 74 CO 0.03 -0.86 -0.30 0.93 0.00 0.00 0.00 179.25 179.05 2wh4 h GLU 75 N -0.34 -0.36 -0.99 0.00 5.08 -0.95 0.10 114.58 117.12 2wh4 h GLU 75 Ca 0.04 0.02 0.29 0.00 -1.00 0.00 0.00 59.36 58.71 2wh4 h GLU 75 Cb 0.44 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 2wh4 h GLU 75 CO -0.36 -0.24 0.81 0.87 -1.00 0.00 0.00 179.01 179.09 2wh4 h LYS 76 N -0.37 0.00 0.00 2.33 1.57 -1.09 -3.14 116.57 115.87 2wh4 h LYS 76 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2wh4 h LYS 76 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2wh4 h LYS 76 CO -0.21 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.67 2wh4 n ALA 77 N -2.60 -0.15 0.20 3.86 0.00 0.12 -3.77 120.51 118.17 2wh4 n ALA 77 Ca 0.21 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.70 2wh4 n ALA 77 Cb 1.14 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.87 2wh4 n ALA 77 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wh4 h LEU 78 N 0.00 0.00 0.00 0.00 3.38 -1.39 1.44 115.31 118.74 2wh4 h LEU 78 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wh4 h LEU 78 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2wh4 h LEU 78 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 2wh4 n ALA 79 N -1.50 2.31 -2.11 1.53 0.00 -1.21 -3.03 120.51 116.50 2wh4 n ALA 79 Ca -0.01 -0.13 0.01 0.00 0.00 0.00 0.00 53.44 53.31 2wh4 n ALA 79 Cb 0.51 -1.39 0.10 0.00 0.00 0.00 0.00 19.45 18.67 2wh4 n ALA 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wh4 n LEU 80 N -1.15 2.22 0.00 0.00 4.32 0.49 -4.96 117.00 117.93 2wh4 n LEU 80 Ca 0.15 -3.21 0.00 0.00 -0.02 0.00 0.00 56.01 52.92 2wh4 n LEU 80 Cb 0.14 -0.21 0.00 0.00 -1.62 0.00 0.00 43.42 41.73 2wh4 n LEU 80 CO 0.16 1.12 0.00 0.61 -1.22 0.00 0.00 177.39 178.06 2wh4 n GLY 81 N -0.42 1.15 3.71 -0.72 0.00 -1.17 -4.92 105.19 102.81 2wh4 n GLY 81 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2wh4 n GLY 81 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2wh4 n ILE 82 N -1.98 2.50 0.00 -0.61 2.08 -1.25 -4.78 119.36 115.32 2wh4 n ILE 82 Ca 0.00 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.81 2wh4 n ILE 82 Cb 0.00 -1.60 0.00 0.00 -0.75 0.00 0.00 39.64 37.29 2wh4 n ILE 82 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 2wh4 n LYS 83 N 0.09 0.00 -3.10 0.38 4.76 -1.26 -4.07 118.16 114.96 2wh4 n LYS 83 Ca 0.06 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.07 2wh4 n LYS 83 Cb 0.39 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.52 2wh4 n LYS 83 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 2wh4 s GLN 84 N -1.72 3.19 0.16 1.97 2.00 -1.26 0.11 119.66 124.11 2wh4 s GLN 84 Ca 0.00 -0.67 -0.04 0.00 -2.00 0.00 0.00 55.36 52.65 2wh4 s GLN 84 Cb 0.00 -4.05 -0.03 0.00 0.80 0.00 0.00 33.01 29.73 2wh4 s GLN 84 CO 0.00 -1.20 0.17 0.14 -0.50 0.00 0.00 175.29 173.90 2wh4 s VAL 85 N 2.85 0.07 -0.02 1.34 -7.23 -1.18 -4.72 120.40 111.50 2wh4 s VAL 85 Ca 0.19 -1.72 0.06 0.00 -1.81 0.00 0.00 61.98 58.70 2wh4 s VAL 85 Cb -0.17 -2.05 -0.02 0.00 0.56 0.00 0.00 36.38 34.69 2wh4 s VAL 85 CO 0.15 -0.31 -0.19 0.00 -0.31 0.00 0.00 175.10 174.43 2wh4 s ALA 86 N -4.04 2.47 1.04 1.32 0.00 0.45 -3.97 121.76 119.03 2wh4 s ALA 86 Ca 0.24 -1.06 -0.16 0.00 0.00 0.00 0.00 51.96 50.98 2wh4 s ALA 86 Cb 0.06 -0.78 0.21 0.00 0.00 0.00 0.00 23.12 22.61 2wh4 s ALA 86 CO 0.03 0.55 1.17 0.12 0.00 0.00 0.00 175.76 177.63 2wh4 s PHE 87 N -0.72 1.51 0.00 0.00 5.36 -1.26 -0.69 117.98 122.19 2wh4 s PHE 87 Ca 0.11 0.59 0.00 0.00 -0.96 0.00 0.00 56.93 56.68 2wh4 s PHE 87 Cb -0.10 -3.59 0.00 0.00 -0.34 0.00 0.00 43.02 38.99 2wh4 s PHE 87 CO 0.01 -3.03 0.00 -3.47 -1.46 0.00 0.00 175.22 167.27 2wh4 n ASP 88 N -4.16 0.00 -2.31 6.13 4.64 -1.11 -4.63 116.55 115.11 2wh4 n ASP 88 Ca 0.11 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.52 2wh4 n ASP 88 Cb 0.59 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.67 2wh4 n ASP 88 CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 2wh4 n ARG 89 N 0.00 -5.29 0.00 -0.67 0.00 -1.26 -4.77 116.66 104.67 2wh4 n ARG 89 Ca 0.00 3.82 0.00 0.00 -0.00 0.00 0.00 57.85 61.67 2wh4 n ARG 89 Cb 0.00 -4.67 0.00 0.00 0.00 0.00 0.00 32.46 27.79 2wh4 n ARG 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wh4 n GLY 90 N 1.85 -1.34 0.57 5.14 0.00 -1.26 -3.41 105.19 106.74 2wh4 n GLY 90 Ca 0.00 0.00 0.44 0.00 0.00 0.00 0.00 46.02 46.46 2wh4 n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wh4 n PRO 91 N 0.00 -0.01 0.00 1.61 -0.04 -1.26 -4.21 135.00 131.09 2wh4 n PRO 91 Ca 0.00 1.00 0.00 0.00 -0.04 0.00 0.00 63.50 64.46 2wh4 n PRO 91 Cb 0.00 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 2wh4 n PRO 91 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2wh4 n TYR 92 N -3.92 0.00 -2.90 0.54 4.11 -1.22 -4.77 117.16 109.01 2wh4 n TYR 92 Ca 0.39 0.00 -0.06 0.00 -0.00 0.00 0.00 57.90 58.23 2wh4 n TYR 92 Cb 1.68 0.00 0.01 0.00 -0.00 0.00 0.00 39.34 41.03 2wh4 n TYR 92 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.86 178.03 2wh4 n LYS 93 N 0.00 -2.05 -1.29 -3.48 3.00 -1.26 -4.72 118.16 108.36 2wh4 n LYS 93 Ca 0.00 1.93 -0.49 0.00 -0.00 0.00 0.00 58.31 59.75 2wh4 n LYS 93 Cb 0.00 -5.67 -0.13 0.00 0.00 0.00 0.00 35.03 29.23 2wh4 n LYS 93 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 2wh4 n TYR 94 N -0.73 0.86 0.00 5.64 9.36 -1.26 -4.83 117.16 126.19 2wh4 n TYR 94 Ca 0.08 0.57 0.00 0.00 3.32 0.00 0.00 57.90 61.88 2wh4 n TYR 94 Cb 0.47 -2.22 0.00 0.00 -0.63 0.00 0.00 39.34 36.96 2wh4 n TYR 94 CO 0.00 0.00 0.00 1.58 0.22 0.00 0.00 176.86 178.66 2wh4 n HIS 95 N 8.36 0.00 0.00 2.98 -0.00 -1.26 -5.09 115.22 120.20 2wh4 n HIS 95 Ca 0.57 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.75 2wh4 n HIS 95 Cb -0.01 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.86 2wh4 n HIS 95 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2wh4 n GLY 96 N -0.03 0.52 1.04 1.57 0.00 -1.26 -3.61 105.19 103.41 2wh4 n GLY 96 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.58 2wh4 n GLY 96 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wh4 n ARG 97 N 0.00 0.00 -1.72 1.61 -4.01 -1.26 -4.82 116.66 106.45 2wh4 n ARG 97 Ca 0.00 0.00 -0.39 0.00 -1.04 0.00 0.00 57.85 56.42 2wh4 n ARG 97 Cb 0.00 -0.81 0.04 0.00 -3.04 0.00 0.00 32.46 28.65 2wh4 n ARG 97 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 2wh4 n VAL 98 N 0.51 3.73 -3.28 8.89 0.31 -1.24 -4.90 118.33 122.35 2wh4 n VAL 98 Ca 0.00 -0.50 -0.31 0.00 -0.01 0.00 0.00 64.34 63.52 2wh4 n VAL 98 Cb 0.00 -1.59 -0.05 0.00 -0.91 0.00 0.00 33.84 31.29 2wh4 n VAL 98 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2wh4 n LYS 99 N -0.93 3.09 -2.96 5.55 4.76 -1.26 -4.14 118.16 122.27 2wh4 n LYS 99 Ca 0.11 -4.66 -0.44 0.00 -2.87 0.00 0.00 58.31 50.45 2wh4 n LYS 99 Cb 0.44 -2.32 0.00 0.00 -1.84 0.00 0.00 35.03 31.31 2wh4 n LYS 99 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wh4 n ALA 100 N 0.88 4.56 -2.66 7.82 0.00 -1.26 -4.78 120.51 125.08 2wh4 n ALA 100 Ca 0.29 -4.51 -0.28 0.00 0.00 0.00 0.00 53.44 48.94 2wh4 n ALA 100 Cb 0.39 -2.71 -0.08 0.00 0.00 0.00 0.00 19.45 17.05 2wh4 n ALA 100 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2wh4 s LEU 101 N -0.59 3.33 0.00 0.00 -0.00 -1.26 -4.97 118.68 115.18 2wh4 s LEU 101 Ca 0.36 -0.34 0.00 0.00 -0.00 0.00 0.00 54.13 54.15 2wh4 s LEU 101 Cb -0.01 -2.01 0.00 0.00 -0.00 0.00 0.00 46.19 44.17 2wh4 s LEU 101 CO 0.00 0.12 0.00 0.00 -0.00 0.00 0.00 176.35 176.47 2wh4 n ALA 102 N 0.13 0.00 -0.58 1.48 0.00 -1.26 -4.75 120.51 115.52 2wh4 n ALA 102 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2wh4 n ALA 102 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 2wh4 n ALA 102 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wh4 n GLU 103 N 0.00 0.00 -0.99 0.00 -0.58 -1.26 -4.84 120.64 112.97 2wh4 n GLU 103 Ca 0.00 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.43 2wh4 n GLU 103 Cb 0.00 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 30.88 2wh4 n GLU 103 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wh4 n GLY 104 N 0.00 -2.67 2.70 0.62 0.00 -1.26 -4.87 105.19 99.71 2wh4 n GLY 104 Ca 0.00 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 2wh4 n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh4 n ALA 105 N -1.26 5.94 0.91 4.61 0.00 0.31 -4.51 120.51 126.50 2wh4 n ALA 105 Ca 0.06 -4.57 0.13 0.00 0.00 0.00 0.00 53.44 49.06 2wh4 n ALA 105 Cb 0.38 -1.97 0.41 0.00 0.00 0.00 0.00 19.45 18.27 2wh4 n ALA 105 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2wh4 n ARG 106 N -0.14 0.06 -2.85 0.00 0.00 -1.25 -3.12 116.66 109.36 2wh4 n ARG 106 Ca 0.46 0.03 -0.15 0.00 -0.00 0.00 0.00 57.85 58.18 2wh4 n ARG 106 Cb 0.28 -1.55 0.02 0.00 0.00 0.00 0.00 32.46 31.20 2wh4 n ARG 106 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2wh4 n GLU 107 N -1.65 -0.85 0.00 -0.14 4.71 -1.26 -4.55 120.64 116.90 2wh4 n GLU 107 Ca 0.06 0.87 0.00 0.00 -0.01 0.00 0.00 57.16 58.08 2wh4 n GLU 107 Cb 0.36 -1.18 0.00 0.00 -1.01 0.00 0.00 31.44 29.61 2wh4 n GLU 107 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2wh4 n GLY 108 N 0.52 0.02 0.00 0.62 0.00 -1.26 -4.96 105.19 100.13 2wh4 n GLY 108 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2wh4 n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93