#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh6 s SER 2 N 0.00 7.02 0.05 1.61 0.01 -1.26 -4.92 113.70 116.21 1wh6 s SER 2 Ca 0.00 -3.10 -0.27 0.00 1.31 0.00 0.00 55.95 53.90 1wh6 s SER 2 Cb 0.00 -2.21 0.09 0.00 0.21 0.00 0.00 66.02 64.11 1wh6 s SER 2 CO 0.00 -0.45 0.79 -0.44 0.41 0.00 0.00 173.24 173.55 1wh6 s SER 3 N 1.80 -0.43 0.60 2.44 0.01 -1.26 -5.11 113.70 111.75 1wh6 s SER 3 Ca 0.24 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.49 1wh6 s SER 3 Cb -0.10 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.59 1wh6 s SER 3 CO -0.08 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.43 1wh6 n GLY 4 N -0.29 1.98 0.78 3.44 0.00 -1.26 -4.97 105.19 104.87 1wh6 n GLY 4 Ca -0.11 0.47 0.09 0.00 0.00 0.00 0.00 46.02 46.47 1wh6 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wh6 n SER 5 N 5.81 -4.25 -3.96 1.61 2.88 -1.26 -5.03 113.62 109.42 1wh6 n SER 5 Ca 0.00 0.80 -0.09 0.00 -1.33 0.00 0.00 58.87 58.26 1wh6 n SER 5 Cb 0.00 -2.68 -0.09 0.00 -0.75 0.00 0.00 64.21 60.68 1wh6 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wh6 s SER 6 N -5.72 0.24 0.00 -3.46 0.01 -1.26 -5.15 113.70 98.36 1wh6 s SER 6 Ca 0.00 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 56.63 1wh6 s SER 6 Cb 0.00 0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.45 1wh6 s SER 6 CO 0.00 -0.52 0.00 0.61 0.41 0.00 0.00 173.24 173.74 1wh6 n GLY 7 N 0.67 -0.81 2.91 3.44 0.00 -1.26 -5.14 105.19 105.00 1wh6 n GLY 7 Ca -0.18 -0.27 -0.06 0.00 0.00 0.00 0.00 46.02 45.51 1wh6 n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1wh6 n GLN 8 N 0.00 0.80 -0.33 1.61 6.02 -1.26 -4.96 117.38 119.26 1wh6 n GLN 8 Ca 0.00 -1.60 0.23 0.00 -0.01 0.00 0.00 57.00 55.62 1wh6 n GLN 8 Cb 0.00 2.02 0.45 0.00 1.02 0.00 0.00 30.24 33.73 1wh6 n GLN 8 CO 0.00 0.00 0.00 0.10 -1.01 0.00 0.00 177.06 176.15 1wh6 h TYR 9 N 1.76 0.77 0.45 1.08 -0.00 -1.99 -1.37 116.97 117.68 1wh6 h TYR 9 Ca -0.25 0.04 -0.02 0.00 0.00 0.00 0.00 58.73 58.50 1wh6 h TYR 9 Cb 0.95 -0.18 0.00 0.00 0.00 0.00 0.00 36.73 37.50 1wh6 h TYR 9 CO 0.00 -0.23 -0.22 0.93 -0.00 0.00 0.00 178.16 178.64 1wh6 h GLU 10 N 0.25 -0.58 -0.63 0.10 5.08 -1.98 0.17 114.58 116.99 1wh6 h GLU 10 Ca 0.71 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 59.22 1wh6 h GLU 10 Cb 1.63 0.13 -0.08 0.00 0.50 0.00 0.00 28.75 30.93 1wh6 h GLU 10 CO -0.65 -0.34 0.21 1.25 -1.00 0.00 0.00 179.01 178.48 1wh6 h LEU 11 N -0.69 0.18 -0.80 1.33 7.12 -1.66 -0.29 115.31 120.50 1wh6 h LEU 11 Ca -0.06 0.09 -0.04 0.00 0.13 0.00 0.00 57.88 58.00 1wh6 h LEU 11 Cb 0.51 0.09 -0.04 0.00 -0.53 0.00 0.00 40.66 40.69 1wh6 h LEU 11 CO 0.10 0.09 0.33 1.88 -0.13 0.00 0.00 178.44 180.72 1wh6 h TYR 12 N 0.38 1.20 -0.42 1.25 0.05 -1.14 -2.89 116.97 115.41 1wh6 h TYR 12 Ca 0.33 -0.08 0.12 0.00 0.05 0.00 0.00 58.73 59.15 1wh6 h TYR 12 Cb 0.45 -0.36 -0.02 0.00 1.01 0.00 0.00 36.73 37.81 1wh6 h TYR 12 CO -0.19 0.90 0.42 1.98 -1.05 0.00 0.00 178.16 180.23 1wh6 h MET 13 N 1.16 0.00 0.00 4.88 4.05 0.87 -2.08 114.93 123.80 1wh6 h MET 13 Ca 0.27 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.67 1wh6 h MET 13 Cb 0.20 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.99 1wh6 h MET 13 CO -0.02 0.00 -1.40 0.66 0.23 0.00 0.00 176.91 176.37 1wh6 n TYR 14 N -3.80 0.62 -2.57 1.39 4.01 -1.09 -5.03 117.16 110.69 1wh6 n TYR 14 Ca 0.07 0.18 0.00 0.00 -0.16 0.00 0.00 57.90 58.00 1wh6 n TYR 14 Cb 0.60 -0.81 0.00 0.00 -0.31 0.00 0.00 39.34 38.82 1wh6 n TYR 14 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1wh6 n ARG 15 N -2.55 2.99 -4.38 -0.72 5.12 -0.78 -5.15 116.66 111.19 1wh6 n ARG 15 Ca -0.03 0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 55.70 1wh6 n ARG 15 Cb 0.59 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.79 1wh6 n ARG 15 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1wh6 s GLU 16 N 1.43 1.54 0.08 5.56 2.02 -1.26 -5.00 118.70 123.06 1wh6 s GLU 16 Ca 0.00 -1.85 -0.08 0.00 0.02 0.00 0.00 54.97 53.06 1wh6 s GLU 16 Cb 0.00 -0.49 -0.01 0.00 0.10 0.00 0.00 34.13 33.73 1wh6 s GLU 16 CO 0.00 -0.27 0.16 0.54 0.02 0.00 0.00 175.26 175.70 1wh6 s VAL 17 N -3.55 0.15 -0.82 2.63 0.11 -1.26 -5.05 120.40 112.61 1wh6 s VAL 17 Ca 0.37 -1.24 -0.25 0.00 -2.93 0.00 0.00 61.98 57.92 1wh6 s VAL 17 Cb 0.08 -1.32 -0.00 0.00 -1.53 0.00 0.00 36.38 33.61 1wh6 s VAL 17 CO 0.15 -0.68 1.67 -1.81 -3.33 0.00 0.00 175.10 171.09 1wh6 s ASP 18 N -2.78 5.71 0.54 3.54 1.11 -1.26 -4.66 116.67 118.87 1wh6 s ASP 18 Ca 0.04 -0.54 0.36 0.00 0.18 0.00 0.00 52.55 52.60 1wh6 s ASP 18 Cb 0.05 -2.55 1.89 0.00 1.07 0.00 0.00 42.92 43.37 1wh6 s ASP 18 CO -0.10 -2.17 2.11 0.71 1.18 0.00 0.00 175.17 176.90 1wh6 h THR 19 N 6.79 0.00 0.08 -1.27 1.35 -1.98 -0.80 112.91 117.08 1wh6 h THR 19 Ca -0.05 -0.10 -0.29 0.00 -0.55 0.00 0.00 66.41 65.42 1wh6 h THR 19 Cb 1.06 0.96 -0.02 0.00 -1.73 0.00 0.00 68.15 68.42 1wh6 h THR 19 CO 1.28 0.00 -1.56 -0.07 -0.25 0.00 0.00 175.52 174.91 1wh6 h LEU 20 N 0.00 0.28 -1.04 3.87 -0.00 -1.90 -2.26 115.31 114.26 1wh6 h LEU 20 Ca 0.00 -0.79 -0.03 0.00 -0.00 0.00 0.00 57.88 57.06 1wh6 h LEU 20 Cb 0.10 -0.09 -0.03 0.00 -0.00 0.00 0.00 40.66 40.64 1wh6 h LEU 20 CO 0.00 1.66 0.27 -0.08 -0.00 0.00 0.00 178.44 180.29 1wh6 h GLU 21 N -0.38 0.95 0.17 1.13 4.81 -1.95 -1.73 114.58 117.57 1wh6 h GLU 21 Ca -0.36 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 58.73 1wh6 h GLU 21 Cb 1.72 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.90 1wh6 h GLU 21 CO -0.01 0.77 -0.23 1.25 -0.73 0.00 0.00 179.01 180.06 1wh6 h LEU 22 N 0.94 -0.64 -0.82 1.64 5.85 -1.22 0.84 115.31 121.90 1wh6 h LEU 22 Ca 0.22 0.07 0.02 0.00 0.84 0.00 0.00 57.88 59.04 1wh6 h LEU 22 Cb 0.17 0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 1wh6 h LEU 22 CO -0.02 -0.33 0.53 0.71 -0.34 0.00 0.00 178.44 178.99 1wh6 h THR 23 N -0.46 1.15 -0.15 1.05 1.35 -1.27 -1.86 112.91 112.73 1wh6 h THR 23 Ca 0.01 -0.36 0.03 0.00 -0.55 0.00 0.00 66.41 65.54 1wh6 h THR 23 Cb 0.46 0.01 -0.06 0.00 -1.73 0.00 0.00 68.15 66.83 1wh6 h THR 23 CO -0.10 0.19 -0.51 -0.09 -0.25 0.00 0.00 175.52 174.77 1wh6 h ARG 24 N 1.05 -0.50 -0.98 4.72 9.65 -0.63 0.64 114.38 128.31 1wh6 h ARG 24 Ca 0.32 0.03 0.04 0.00 -1.10 0.00 0.00 59.98 59.27 1wh6 h ARG 24 Cb -0.03 0.11 -0.06 0.00 -1.39 0.00 0.00 29.97 28.60 1wh6 h ARG 24 CO -0.10 -0.34 0.64 1.96 2.80 0.00 0.00 179.97 184.94 1wh6 h GLN 25 N -0.52 1.20 0.34 0.20 1.08 -0.65 -2.02 115.11 114.74 1wh6 h GLN 25 Ca 0.03 -0.07 -0.02 0.00 -1.45 0.00 0.00 58.65 57.14 1wh6 h GLN 25 Cb 0.62 -0.27 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 1wh6 h GLN 25 CO -0.42 0.80 -0.16 0.28 -0.95 0.00 0.00 178.83 178.37 1wh6 h VAL 26 N 1.24 0.68 -0.96 -0.54 2.07 -0.98 -1.08 116.25 116.68 1wh6 h VAL 26 Ca 0.39 -0.37 0.13 0.00 0.82 0.00 0.00 66.70 67.68 1wh6 h VAL 26 Cb 0.01 0.87 -0.09 0.00 -1.52 0.00 0.00 31.29 30.56 1wh6 h VAL 26 CO -0.13 0.07 0.58 0.11 0.02 0.00 0.00 177.57 178.23 1wh6 h LYS 27 N -0.66 0.85 0.49 1.57 1.57 -0.60 -0.70 116.57 119.10 1wh6 h LYS 27 Ca -0.05 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1wh6 h LYS 27 Cb 0.47 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1wh6 h LYS 27 CO 0.08 0.56 -0.24 0.93 -0.57 0.00 0.00 179.45 180.21 1wh6 h GLU 28 N 0.88 -0.64 -0.14 3.15 5.08 -1.26 -1.58 114.58 120.06 1wh6 h GLU 28 Ca 0.49 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.91 1wh6 h GLU 28 Cb 0.57 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1wh6 h GLU 28 CO -0.30 -0.34 0.10 -0.22 -1.00 0.00 0.00 179.01 177.25 1wh6 h LYS 29 N -0.88 0.14 0.54 2.33 3.64 -0.51 0.26 116.57 122.09 1wh6 h LYS 29 Ca -0.07 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 1wh6 h LYS 29 Cb 0.59 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1wh6 h LYS 29 CO 0.11 0.09 -0.26 -0.07 -2.27 0.00 0.00 179.45 177.05 1wh6 h LEU 30 N 0.14 -0.61 -2.25 5.20 3.38 -1.16 -3.25 115.31 116.75 1wh6 h LEU 30 Ca 0.06 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1wh6 h LEU 30 Cb 0.06 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1wh6 h LEU 30 CO -0.01 -0.26 0.10 0.00 0.09 0.00 0.00 178.44 178.36 1wh6 h ALA 31 N -0.73 1.79 -0.97 1.53 0.00 -0.15 -0.26 119.26 120.48 1wh6 h ALA 31 Ca -0.07 -0.00 0.22 0.00 0.00 0.00 0.00 54.91 55.05 1wh6 h ALA 31 Cb 0.63 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.34 1wh6 h ALA 31 CO 0.12 -0.16 0.62 -0.22 0.00 0.00 0.00 179.25 179.62 1wh6 h LYS 32 N 0.00 0.47 0.00 0.00 3.64 -0.58 -2.24 116.57 117.86 1wh6 h LYS 32 Ca 0.05 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1wh6 h LYS 32 Cb 0.25 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1wh6 h LYS 32 CO -0.00 0.31 -0.03 0.09 -2.27 0.00 0.00 179.45 177.55 1wh6 n ASN 33 N -4.59 1.41 -4.08 4.20 3.02 -0.85 -5.03 115.26 109.33 1wh6 n ASN 33 Ca 0.22 -1.88 -0.40 0.00 -0.03 0.00 0.00 54.58 52.49 1wh6 n ASN 33 Cb 0.72 -0.07 -0.01 0.00 -0.61 0.00 0.00 39.78 39.82 1wh6 n ASN 33 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wh6 n GLY 34 N -0.46 -0.63 3.76 7.41 0.00 -0.24 -4.93 105.19 110.10 1wh6 n GLY 34 Ca 0.02 0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.94 1wh6 n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wh6 s ILE 35 N -3.76 3.40 -0.34 -0.61 1.01 -0.40 -4.96 121.20 115.53 1wh6 s ILE 35 Ca 0.34 1.37 -0.27 0.00 0.00 0.00 0.00 60.65 62.08 1wh6 s ILE 35 Cb -0.18 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 1wh6 s ILE 35 CO 0.96 0.29 2.14 0.00 0.00 0.00 0.00 174.94 178.34 1wh6 h GLN 37 N 15.67 0.48 -0.48 0.00 4.20 -1.98 -1.45 115.11 131.55 1wh6 h GLN 37 Ca -0.34 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.34 1wh6 h GLN 37 Cb 1.22 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.87 1wh6 h GLN 37 CO 1.04 0.32 0.31 -0.09 -0.67 0.00 0.00 178.83 179.74 1wh6 h ARG 38 N 0.50 0.63 -0.06 1.46 1.12 -1.92 0.82 114.38 116.93 1wh6 h ARG 38 Ca 0.59 -0.04 -0.10 0.00 -1.11 0.00 0.00 59.98 59.31 1wh6 h ARG 38 Cb 1.09 -0.14 0.01 0.00 -0.01 0.00 0.00 29.97 30.92 1wh6 h ARG 38 CO -0.49 0.43 -0.36 0.82 -3.11 0.00 0.00 179.97 177.26 1wh6 h ILE 39 N 0.64 1.43 -0.37 1.20 2.04 -1.74 -0.32 117.51 120.40 1wh6 h ILE 39 Ca 0.17 -1.80 0.05 0.00 1.00 0.00 0.00 64.86 64.28 1wh6 h ILE 39 Cb -0.06 2.40 -0.08 0.00 -0.74 0.00 0.00 36.82 38.34 1wh6 h ILE 39 CO -0.04 0.52 -0.55 0.15 0.00 0.00 0.00 178.15 178.23 1wh6 h PHE 40 N -0.17 -1.67 -0.70 1.37 3.57 -1.24 -1.66 116.94 116.43 1wh6 h PHE 40 Ca -0.03 0.08 0.06 0.00 3.53 0.00 0.00 57.97 61.61 1wh6 h PHE 40 Cb 1.03 0.78 -0.06 0.00 2.79 0.00 0.00 35.95 40.49 1wh6 h PHE 40 CO 0.14 -0.49 0.40 0.78 -2.23 0.00 0.00 178.31 176.91 1wh6 h GLY 41 N -0.41 1.04 0.53 2.40 0.00 -0.76 0.66 103.07 106.52 1wh6 h GLY 41 Ca 0.07 -0.28 0.08 0.00 0.00 0.00 0.00 47.33 47.20 1wh6 h GLY 41 CO -0.57 0.18 0.34 0.83 0.00 0.00 0.00 176.54 177.32 1wh6 h GLU 42 N 0.74 0.58 0.00 4.80 5.08 -0.65 0.40 114.58 125.54 1wh6 h GLU 42 Ca 0.31 -0.03 -0.40 0.00 -1.00 0.00 0.00 59.36 58.23 1wh6 h GLU 42 Cb 0.18 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.24 1wh6 h GLU 42 CO -0.18 0.38 -2.35 1.63 -1.00 0.00 0.00 179.01 177.50 1wh6 n LYS 43 N -4.86 0.51 0.00 2.33 5.02 -0.66 -3.70 118.16 116.80 1wh6 n LYS 43 Ca 0.10 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 1wh6 n LYS 43 Cb 0.24 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 1wh6 n LYS 43 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1wh6 n VAL 44 N -4.04 0.00 0.27 -0.18 0.31 0.14 -4.31 118.33 110.52 1wh6 n VAL 44 Ca -0.47 0.52 0.16 0.00 -0.01 0.00 0.00 64.34 64.53 1wh6 n VAL 44 Cb 0.84 -1.28 0.70 0.00 -0.91 0.00 0.00 33.84 33.19 1wh6 n VAL 44 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1wh6 h LEU 45 N 0.00 0.00 -1.07 7.52 3.38 -1.65 -3.47 115.31 120.02 1wh6 h LEU 45 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1wh6 h LEU 45 Cb 0.00 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.77 1wh6 h LEU 45 CO 0.00 0.06 -0.08 0.61 0.09 0.00 0.00 178.44 179.12 1wh6 n GLY 46 N -0.12 0.75 3.18 0.83 0.00 -0.02 -4.63 105.19 105.17 1wh6 n GLY 46 Ca -0.00 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 1wh6 n GLY 46 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wh6 s LEU 47 N -1.81 2.47 0.96 0.99 1.43 -0.29 -4.97 118.68 117.45 1wh6 s LEU 47 Ca 0.06 -0.92 -0.11 0.00 -1.03 0.00 0.00 54.13 52.13 1wh6 s LEU 47 Cb -0.03 -0.20 0.17 0.00 0.03 0.00 0.00 46.19 46.16 1wh6 s LEU 47 CO 0.09 -0.36 1.10 -0.44 0.23 0.00 0.00 176.35 176.96 1wh6 s SER 48 N -2.80 2.72 0.09 2.29 0.01 -1.26 -3.19 113.70 111.56 1wh6 s SER 48 Ca 0.10 1.84 -0.33 0.00 1.31 0.00 0.00 55.95 58.86 1wh6 s SER 48 Cb 0.01 -2.42 -0.15 0.00 0.21 0.00 0.00 66.02 63.68 1wh6 s SER 48 CO -0.02 -3.17 1.59 -0.61 0.41 0.00 0.00 173.24 171.44 1wh6 h GLN 49 N -1.91 -0.84 0.00 12.44 4.15 -1.95 -2.08 115.11 124.91 1wh6 h GLN 49 Ca -0.49 0.06 -0.14 0.00 0.77 0.00 0.00 58.65 58.85 1wh6 h GLN 49 Cb 1.28 0.19 -0.02 0.00 0.21 0.00 0.00 27.48 29.14 1wh6 h GLN 49 CO 0.47 -0.56 -0.67 0.78 -1.93 0.00 0.00 178.83 176.92 1wh6 h GLY 50 N -0.87 0.00 0.60 2.39 0.00 -1.98 -1.07 103.07 102.14 1wh6 h GLY 50 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 1wh6 h GLY 50 CO -0.07 0.00 -0.36 1.76 0.00 0.00 0.00 176.54 177.87 1wh6 h SER 51 N 0.00 -0.99 0.06 0.19 0.02 -1.90 -0.50 113.55 110.43 1wh6 h SER 51 Ca -0.01 0.09 -0.09 0.00 -0.84 0.00 0.00 61.79 60.94 1wh6 h SER 51 Cb 1.21 0.34 -0.01 0.00 0.14 0.00 0.00 62.40 64.08 1wh6 h SER 51 CO 0.09 -0.50 -0.29 1.62 -1.14 0.00 0.00 176.83 176.61 1wh6 h VAL 52 N -0.74 1.27 0.48 2.27 3.04 -1.27 -2.26 116.25 119.03 1wh6 h VAL 52 Ca -0.02 -1.28 -0.02 0.00 -1.01 0.00 0.00 66.70 64.36 1wh6 h VAL 52 Cb 0.67 1.45 0.00 0.00 -2.01 0.00 0.00 31.29 31.40 1wh6 h VAL 52 CO -0.07 0.40 -0.23 -1.28 -1.01 0.00 0.00 177.57 175.37 1wh6 h SER 53 N 0.32 -0.55 0.44 3.17 0.87 -1.00 -1.66 113.55 115.15 1wh6 h SER 53 Ca 0.04 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1wh6 h SER 53 Cb 0.68 0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.78 1wh6 h SER 53 CO 0.05 -0.37 -0.07 -0.78 -0.53 0.00 0.00 176.83 175.14 1wh6 h ASP 54 N -0.68 0.00 0.63 6.23 3.58 -0.97 -0.51 116.42 124.70 1wh6 h ASP 54 Ca -0.07 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.35 1wh6 h ASP 54 Cb 0.51 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.57 1wh6 h ASP 54 CO 0.11 0.07 -0.30 -0.03 -2.88 0.00 0.00 179.24 176.21 1wh6 h MET 55 N 0.00 -0.82 -0.98 0.28 4.05 -1.05 -0.37 114.93 116.04 1wh6 h MET 55 Ca -0.00 0.06 0.09 0.00 -0.28 0.00 0.00 59.70 59.56 1wh6 h MET 55 Cb 0.31 0.19 -0.07 0.00 -0.80 0.00 0.00 31.60 31.22 1wh6 h MET 55 CO 0.01 -0.54 0.63 -0.07 0.23 0.00 0.00 176.91 177.17 1wh6 h LEU 56 N -1.08 0.96 0.32 3.39 3.38 -0.90 -1.86 115.31 119.52 1wh6 h LEU 56 Ca -0.09 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1wh6 h LEU 56 Cb 0.65 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1wh6 h LEU 56 CO 0.14 0.58 -0.15 0.28 0.09 0.00 0.00 178.44 179.38 1wh6 h SER 57 N 1.07 -0.36 -1.85 -0.43 0.02 -1.15 -3.42 113.55 107.43 1wh6 h SER 57 Ca 0.45 -0.12 -0.48 0.00 -0.84 0.00 0.00 61.79 60.79 1wh6 h SER 57 Cb 0.30 0.09 -0.33 0.00 0.14 0.00 0.00 62.40 62.60 1wh6 h SER 57 CO -0.20 -0.09 -0.90 -2.11 -1.14 0.00 0.00 176.83 172.39 1wh6 n ARG 58 N -5.19 0.44 -1.14 3.45 1.85 -0.15 -5.08 116.66 110.84 1wh6 n ARG 58 Ca -0.10 -2.89 -0.29 0.00 -1.00 0.00 0.00 57.85 53.57 1wh6 n ARG 58 Cb 0.24 -1.49 0.18 0.00 -1.05 0.00 0.00 32.46 30.35 1wh6 n ARG 58 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1wh6 s PRO 59 N -0.13 0.34 0.36 2.89 0.04 -0.72 -4.64 135.00 133.14 1wh6 s PRO 59 Ca 0.33 0.52 0.03 0.00 0.04 0.00 0.00 61.00 61.93 1wh6 s PRO 59 Cb 0.09 -1.73 -0.01 0.00 0.04 0.00 0.00 34.50 32.89 1wh6 s PRO 59 CO -0.16 -2.79 0.53 0.15 0.04 0.00 0.00 177.00 174.77 1wh6 s LYS 60 N -4.94 3.21 0.62 4.56 -0.14 -1.26 -5.05 119.74 116.73 1wh6 s LYS 60 Ca 0.65 -0.69 -0.17 0.00 -1.36 0.00 0.00 55.97 54.40 1wh6 s LYS 60 Cb -0.19 -2.72 -0.02 0.00 -1.68 0.00 0.00 37.83 33.22 1wh6 s LYS 60 CO 0.58 0.02 1.14 -1.25 -0.76 0.00 0.00 175.35 175.08 1wh6 s PRO 61 N -4.30 2.94 0.47 -1.68 0.04 -1.26 -4.79 135.00 126.42 1wh6 s PRO 61 Ca 0.44 1.56 0.16 0.00 0.04 0.00 0.00 61.00 63.20 1wh6 s PRO 61 Cb -0.10 -1.95 1.13 0.00 0.04 0.00 0.00 34.50 33.62 1wh6 s PRO 61 CO 0.34 -1.17 2.01 2.35 0.04 0.00 0.00 177.00 180.57 1wh6 h TRP 62 N 0.50 0.28 -0.62 0.56 2.91 -1.94 -0.47 115.95 117.17 1wh6 h TRP 62 Ca -0.48 0.01 0.12 0.00 1.13 0.00 0.00 58.89 59.66 1wh6 h TRP 62 Cb 1.26 -0.09 -0.09 0.00 -0.51 0.00 0.00 29.16 29.73 1wh6 h TRP 62 CO 0.52 0.14 0.15 1.03 -1.03 0.00 0.00 178.44 179.25 1wh6 h SER 63 N 0.27 0.05 0.90 2.65 0.87 -1.95 -2.17 113.55 114.16 1wh6 h SER 63 Ca 0.22 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 1wh6 h SER 63 Cb 0.52 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 1wh6 h SER 63 CO -0.05 0.03 0.00 0.29 -0.53 0.00 0.00 176.83 176.57 1wh6 n LYS 64 N -5.11 0.02 -3.27 2.24 4.76 -0.19 -4.70 118.16 111.92 1wh6 n LYS 64 Ca 0.10 0.09 -0.38 0.00 -2.87 0.00 0.00 58.31 55.24 1wh6 n LYS 64 Cb 0.33 -1.53 -0.06 0.00 -1.84 0.00 0.00 35.03 31.93 1wh6 n LYS 64 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1wh6 s LEU 65 N -3.15 4.25 1.10 -0.35 1.43 -0.82 -5.01 118.68 116.13 1wh6 s LEU 65 Ca 0.12 0.82 -0.13 0.00 -1.03 0.00 0.00 54.13 53.91 1wh6 s LEU 65 Cb 0.16 -2.74 0.25 0.00 0.03 0.00 0.00 46.19 43.88 1wh6 s LEU 65 CO 0.46 -0.06 1.06 0.42 0.23 0.00 0.00 176.35 178.47 1wh6 s THR 66 N 0.89 1.95 0.26 5.49 -4.23 -1.26 -4.75 115.64 113.99 1wh6 s THR 66 Ca 0.27 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.75 1wh6 s THR 66 Cb -0.15 -2.31 0.23 0.00 1.34 0.00 0.00 72.50 71.61 1wh6 s THR 66 CO 0.11 0.00 1.80 1.56 -0.54 0.00 0.00 174.62 177.55 1wh6 h GLN 67 N -2.32 0.77 -0.57 3.99 4.20 -1.97 0.18 115.11 119.40 1wh6 h GLN 67 Ca -0.57 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.09 1wh6 h GLN 67 Cb 1.33 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.91 1wh6 h GLN 67 CO 0.53 0.51 0.36 -0.22 -0.67 0.00 0.00 178.83 179.33 1wh6 h LYS 68 N 0.79 0.76 0.00 1.46 3.11 -2.01 -0.40 116.57 120.27 1wh6 h LYS 68 Ca 0.43 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 58.22 1wh6 h LYS 68 Cb 0.46 -0.17 0.00 0.00 -1.00 0.00 0.00 32.23 31.52 1wh6 h LYS 68 CO -0.28 0.52 -0.17 0.78 -2.81 0.00 0.00 179.45 177.50 1wh6 h GLY 69 N 0.80 0.00 1.93 5.01 0.00 -1.64 -3.26 103.07 105.91 1wh6 h GLY 69 Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.40 1wh6 h GLY 69 CO -0.04 0.00 -0.67 3.21 0.00 0.00 0.00 176.54 179.04 1wh6 h ARG 70 N 0.00 0.00 -0.74 4.80 3.08 0.52 -3.38 114.38 118.66 1wh6 h ARG 70 Ca 0.00 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.19 1wh6 h ARG 70 Cb 0.99 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.90 1wh6 h ARG 70 CO 0.00 0.60 -0.23 0.93 -1.07 0.00 0.00 179.97 180.20 1wh6 h GLU 71 N 0.00 -0.03 0.44 0.04 5.08 -1.17 0.20 114.58 119.15 1wh6 h GLU 71 Ca -0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1wh6 h GLU 71 Cb 1.49 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.75 1wh6 h GLU 71 CO 0.08 -0.02 -0.21 -1.00 -1.00 0.00 0.00 179.01 176.86 1wh6 h PRO 72 N -0.03 -0.58 -0.82 2.33 0.13 -1.80 -3.10 132.00 128.14 1wh6 h PRO 72 Ca 0.34 0.04 0.21 0.00 -0.87 0.00 0.00 66.00 65.72 1wh6 h PRO 72 Cb 0.56 0.13 -0.05 0.00 0.13 0.00 0.00 31.00 31.77 1wh6 h PRO 72 CO -0.78 -0.28 0.57 0.74 -0.23 0.00 0.00 178.00 178.02 1wh6 h PHE 73 N -0.84 0.26 0.01 1.56 -1.00 -1.40 0.14 116.94 115.67 1wh6 h PHE 73 Ca -0.06 0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.73 1wh6 h PHE 73 Cb 0.56 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 40.04 1wh6 h PHE 73 CO 0.00 0.07 -0.01 0.82 -1.61 0.00 0.00 178.31 177.59 1wh6 h ILE 74 N 0.20 1.04 -0.41 -0.55 2.04 -0.68 -1.94 117.51 117.21 1wh6 h ILE 74 Ca 0.41 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 66.08 1wh6 h ILE 74 Cb 1.30 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 38.52 1wh6 h ILE 74 CO -0.08 0.04 0.18 0.03 0.00 0.00 0.00 178.15 178.32 1wh6 h ARG 75 N -0.09 0.58 -0.41 2.37 3.08 -0.69 0.33 114.38 119.56 1wh6 h ARG 75 Ca -0.00 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.03 1wh6 h ARG 75 Cb 0.08 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 29.97 1wh6 h ARG 75 CO 0.00 0.47 0.15 1.98 -1.07 0.00 0.00 179.97 181.50 1wh6 h MET 76 N 0.58 0.31 -0.41 0.04 4.05 -0.98 -0.09 114.93 118.44 1wh6 h MET 76 Ca 0.15 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.51 1wh6 h MET 76 Cb 0.09 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.80 1wh6 h MET 76 CO -0.02 0.20 0.11 1.96 0.23 0.00 0.00 176.91 179.40 1wh6 h GLN 77 N 0.32 0.64 0.59 0.39 4.20 -0.46 -3.14 115.11 117.65 1wh6 h GLN 77 Ca 0.19 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 1wh6 h GLN 77 Cb 0.17 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 27.87 1wh6 h GLN 77 CO -0.19 0.65 -0.28 -0.07 -0.67 0.00 0.00 178.83 178.27 1wh6 h LEU 78 N 0.51 -0.67 -1.57 1.46 3.38 -0.78 -3.23 115.31 114.41 1wh6 h LEU 78 Ca 0.13 -0.00 0.40 0.00 0.09 0.00 0.00 57.88 58.49 1wh6 h LEU 78 Cb 0.29 0.17 -0.10 0.00 0.09 0.00 0.00 40.66 41.11 1wh6 h LEU 78 CO -0.00 -0.28 0.88 -0.25 0.09 0.00 0.00 178.44 178.88 1wh6 h TRP 79 N -1.17 0.40 -0.26 1.13 7.01 -1.09 0.26 115.95 122.23 1wh6 h TRP 79 Ca -0.08 0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.00 1wh6 h TRP 79 Cb 0.63 -0.11 -0.07 0.00 -2.10 0.00 0.00 29.16 27.52 1wh6 h TRP 79 CO 0.00 -0.08 -0.19 -0.07 -2.79 0.00 0.00 178.44 175.31 1wh6 h LEU 80 N 0.13 -0.62 0.00 0.65 3.38 -1.56 -1.67 115.31 115.62 1wh6 h LEU 80 Ca 0.74 0.13 -0.14 0.00 0.09 0.00 0.00 57.88 58.70 1wh6 h LEU 80 Cb 2.41 0.31 -0.03 0.00 0.09 0.00 0.00 40.66 43.45 1wh6 h LEU 80 CO -0.27 -0.23 -1.86 -0.24 0.09 0.00 0.00 178.44 175.93 1wh6 n SER 81 N -5.35 0.29 0.01 -0.43 2.88 -0.13 -4.71 113.62 106.19 1wh6 n SER 81 Ca -0.00 0.12 -0.22 0.00 -1.33 0.00 0.00 58.87 57.44 1wh6 n SER 81 Cb 0.26 1.14 -0.14 0.00 -0.75 0.00 0.00 64.21 64.72 1wh6 n SER 81 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1wh6 h ASP 82 N 0.00 0.41 0.00 -3.46 1.82 -0.52 -3.48 116.42 111.19 1wh6 h ASP 82 Ca -0.18 -0.87 0.00 0.00 -0.39 0.00 0.00 57.03 55.59 1wh6 h ASP 82 Cb 1.46 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 41.34 1wh6 h ASP 82 CO 0.02 1.69 0.00 0.00 -1.61 0.00 0.00 179.24 179.34 1wh6 n GLN 83 N -3.80 -0.19 -3.12 0.28 6.02 -0.64 -4.50 117.38 111.43 1wh6 n GLN 83 Ca -0.27 0.05 -0.14 0.00 -0.01 0.00 0.00 57.00 56.63 1wh6 n GLN 83 Cb 0.95 -4.53 0.01 0.00 1.02 0.00 0.00 30.24 27.70 1wh6 n GLN 83 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1wh6 n LEU 84 N 0.00 -5.13 0.13 1.08 4.32 -1.26 -4.83 117.00 111.31 1wh6 n LEU 84 Ca 0.00 0.46 0.11 0.00 -0.02 0.00 0.00 56.01 56.56 1wh6 n LEU 84 Cb 0.05 -2.36 0.49 0.00 -1.62 0.00 0.00 43.42 39.98 1wh6 n LEU 84 CO 0.00 -1.55 0.82 0.61 -1.22 0.00 0.00 177.39 176.05 1wh6 n GLY 85 N 0.35 -1.09 0.00 -0.72 0.00 -1.26 -4.16 105.19 98.31 1wh6 n GLY 85 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1wh6 n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wh6 n GLN 86 N -2.16 0.00 -3.50 1.61 0.00 -1.26 -5.15 117.38 106.92 1wh6 n GLN 86 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 57.00 56.85 1wh6 n GLN 86 Cb 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.34 1wh6 n GLN 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1wh6 s ALA 87 N -2.00 -1.67 -0.39 2.61 0.00 -1.26 -5.12 121.76 113.93 1wh6 s ALA 87 Ca 0.00 1.00 0.11 0.00 0.00 0.00 0.00 51.96 53.07 1wh6 s ALA 87 Cb 0.00 0.30 0.35 0.00 0.00 0.00 0.00 23.12 23.76 1wh6 s ALA 87 CO 0.00 -0.50 0.84 0.28 0.00 0.00 0.00 175.76 176.39 1wh6 n VAL 88 N 0.49 -0.08 0.00 0.00 0.31 -1.26 -4.98 118.33 112.80 1wh6 n VAL 88 Ca -0.18 -3.72 0.00 0.00 -0.01 0.00 0.00 64.34 60.43 1wh6 n VAL 88 Cb 0.60 0.23 0.00 0.00 -0.91 0.00 0.00 33.84 33.76 1wh6 n VAL 88 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wh6 n GLY 89 N 0.28 1.12 3.10 2.92 0.00 -1.26 -5.17 105.19 106.18 1wh6 n GLY 89 Ca 0.19 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 45.34 1wh6 n GLY 89 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1wh6 s GLN 90 N -0.37 0.52 0.02 1.61 1.03 -1.26 -5.00 119.66 116.21 1wh6 s GLN 90 Ca 0.00 -0.60 -0.03 0.00 0.04 0.00 0.00 55.36 54.77 1wh6 s GLN 90 Cb 0.00 0.21 -0.01 0.00 0.03 0.00 0.00 33.01 33.23 1wh6 s GLN 90 CO 0.00 -0.12 0.04 -0.65 -2.54 0.00 0.00 175.29 172.01 1wh6 s GLN 91 N -2.00 0.44 0.64 9.60 -0.21 -1.26 -5.17 119.66 121.69 1wh6 s GLN 91 Ca -0.10 -0.65 -0.12 0.00 0.02 0.00 0.00 55.36 54.51 1wh6 s GLN 91 Cb -0.05 0.17 -0.02 0.00 1.00 0.00 0.00 33.01 34.11 1wh6 s GLN 91 CO -0.02 -0.09 1.04 -1.25 -2.12 0.00 0.00 175.29 172.85 1wh6 s PRO 92 N -1.92 3.32 0.00 2.91 0.04 -1.26 -5.06 135.00 133.03 1wh6 s PRO 92 Ca -0.11 0.89 0.00 0.00 0.04 0.00 0.00 61.00 61.82 1wh6 s PRO 92 Cb -0.06 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1wh6 s PRO 92 CO -0.02 -0.79 0.00 0.41 0.04 0.00 0.00 177.00 176.64 1wh6 n GLY 93 N -2.18 4.31 3.58 0.56 0.00 -1.26 -5.17 105.19 105.03 1wh6 n GLY 93 Ca 0.07 -0.42 -0.02 0.00 0.00 0.00 0.00 46.02 45.65 1wh6 n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wh6 s ALA 94 N -1.54 -2.24 0.08 4.61 0.00 -1.26 -5.10 121.76 116.30 1wh6 s ALA 94 Ca 0.00 2.25 -0.17 0.00 0.00 0.00 0.00 51.96 54.05 1wh6 s ALA 94 Cb 0.00 -1.76 -0.11 0.00 0.00 0.00 0.00 23.12 21.25 1wh6 s ALA 94 CO 0.00 -0.67 1.38 0.66 0.00 0.00 0.00 175.76 177.13 1wh6 h SER 95 N 7.18 0.63 -1.47 0.00 4.64 -2.04 -3.49 113.55 118.99 1wh6 h SER 95 Ca -0.22 -0.49 0.15 0.00 -0.47 0.00 0.00 61.79 60.76 1wh6 h SER 95 Cb 1.16 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 63.03 1wh6 h SER 95 CO 0.13 0.99 -0.20 -0.24 -0.87 0.00 0.00 176.83 176.64 1wh6 n SER 96 N -4.35 -4.75 -4.15 4.97 2.88 -1.26 -4.99 113.62 101.97 1wh6 n SER 96 Ca -0.05 0.59 -0.10 0.00 -1.33 0.00 0.00 58.87 57.99 1wh6 n SER 96 Cb 0.45 -1.78 -0.10 0.00 -0.75 0.00 0.00 64.21 62.03 1wh6 n SER 96 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wh6 s GLY 97 N -4.43 0.70 -0.32 0.46 0.00 -1.26 -5.09 107.32 97.39 1wh6 s GLY 97 Ca 0.00 -1.32 -0.28 0.00 0.00 0.00 0.00 44.72 43.12 1wh6 s GLY 97 CO 0.00 -1.42 1.94 2.56 0.00 0.00 0.00 173.10 176.18 1wh6 s PRO 98 N -3.86 3.20 -0.45 2.90 0.04 -1.26 -4.92 135.00 130.65 1wh6 s PRO 98 Ca 0.11 1.56 0.02 0.00 0.04 0.00 0.00 61.00 62.73 1wh6 s PRO 98 Cb 0.06 -4.27 0.14 0.00 0.04 0.00 0.00 34.50 30.47 1wh6 s PRO 98 CO -0.06 -2.01 0.26 -1.12 0.04 0.00 0.00 177.00 174.11 1wh6 s SER 99 N 7.00 3.59 0.42 6.66 0.01 -1.26 -5.05 113.70 125.06 1wh6 s SER 99 Ca 0.86 -2.71 0.00 0.00 1.31 0.00 0.00 55.95 55.41 1wh6 s SER 99 Cb -0.25 -1.03 0.00 0.00 0.21 0.00 0.00 66.02 64.96 1wh6 s SER 99 CO 0.33 -0.25 0.00 -0.24 0.41 0.00 0.00 173.24 173.49 1wh6 n SER 100 N 3.43 -6.09 0.00 2.44 2.88 -1.26 -5.31 113.62 109.71 1wh6 n SER 100 Ca 0.10 0.84 0.00 0.00 -1.33 0.00 0.00 58.87 58.49 1wh6 n SER 100 Cb 0.35 -2.37 0.00 0.00 -0.75 0.00 0.00 64.21 61.44 1wh6 n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42