#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 7.18 0.70 1.61 0.01 -1.26 -5.08 113.70 116.87 1wh6 s SER 2 Ca 0.00 1.42 -0.11 0.00 1.31 0.00 0.00 55.95 58.56 1wh6 s SER 2 Cb 0.00 -2.47 0.01 0.00 0.21 0.00 0.00 66.02 63.78 1wh6 s SER 2 CO 0.00 -0.04 1.08 -0.55 0.41 0.00 0.00 173.24 174.14 1wh6 s SER 3 N 0.22 5.41 0.00 2.44 0.15 -1.26 -5.08 113.70 115.59 1wh6 s SER 3 Ca 0.40 1.30 0.00 0.00 0.70 0.00 0.00 55.95 58.35 1wh6 s SER 3 Cb -0.20 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 1wh6 s SER 3 CO 0.22 -1.38 0.00 0.61 1.20 0.00 0.00 173.24 173.89 1wh6 n GLY 4 N -2.62 -0.76 3.59 9.45 0.00 -1.26 -5.10 105.19 108.50 1wh6 n GLY 4 Ca 0.07 -1.15 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 1wh6 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh6 s SER 5 N 0.00 5.91 -0.29 1.61 0.01 -1.26 -4.92 113.70 114.77 1wh6 s SER 5 Ca 0.00 1.13 0.03 0.00 1.31 0.00 0.00 55.95 58.42 1wh6 s SER 5 Cb 0.00 -2.53 0.17 0.00 0.21 0.00 0.00 66.02 63.87 1wh6 s SER 5 CO 0.00 -1.72 0.48 -0.55 0.41 0.00 0.00 173.24 171.86 1wh6 s SER 6 N 5.90 -0.40 0.00 2.44 0.15 -1.26 -5.05 113.70 115.49 1wh6 s SER 6 Ca 0.75 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 57.34 1wh6 s SER 6 Cb -0.20 1.48 0.00 0.00 -1.71 0.00 0.00 66.02 65.59 1wh6 s SER 6 CO 0.32 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 175.05 1wh6 n GLY 7 N 5.38 -1.80 3.99 9.45 0.00 -1.26 -5.18 105.19 115.78 1wh6 n GLY 7 Ca 0.02 0.74 -0.20 0.00 0.00 0.00 0.00 46.02 46.58 1wh6 n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wh6 s GLN 8 N 0.00 2.52 0.30 1.61 -0.21 -1.26 -4.97 119.66 117.66 1wh6 s GLN 8 Ca 0.00 -1.05 0.04 0.00 0.02 0.00 0.00 55.36 54.36 1wh6 s GLN 8 Cb 0.00 -2.58 0.63 0.00 1.00 0.00 0.00 33.01 32.07 1wh6 s GLN 8 CO 0.00 -0.66 1.84 0.10 -2.12 0.00 0.00 175.29 174.45 1wh6 h TYR 9 N 0.20 1.06 -0.54 0.91 -0.00 -2.00 -2.07 116.97 114.53 1wh6 h TYR 9 Ca -0.40 0.03 0.11 0.00 -0.00 0.00 0.00 58.73 58.47 1wh6 h TYR 9 Cb 1.29 -0.33 -0.10 0.00 -0.00 0.00 0.00 36.73 37.59 1wh6 h TYR 9 CO 0.33 0.40 -0.06 0.93 -0.00 0.00 0.00 178.16 179.76 1wh6 h GLU 10 N 0.91 0.06 -0.15 0.10 4.39 -1.99 -1.08 114.58 116.82 1wh6 h GLU 10 Ca 0.49 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.15 1wh6 h GLU 10 Cb 0.57 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1wh6 h GLU 10 CO -0.25 0.04 -0.02 1.25 -1.16 0.00 0.00 179.01 178.86 1wh6 h LEU 11 N 0.06 0.27 -1.42 1.33 7.12 -1.77 -2.81 115.31 118.10 1wh6 h LEU 11 Ca 0.27 -0.35 -0.00 0.00 0.13 0.00 0.00 57.88 57.93 1wh6 h LEU 11 Cb 0.42 -0.07 -0.00 0.00 -0.53 0.00 0.00 40.66 40.48 1wh6 h LEU 11 CO -0.51 0.56 -0.02 1.88 -0.13 0.00 0.00 178.44 180.22 1wh6 h TYR 12 N -0.02 0.00 -0.18 1.25 0.05 -1.49 -3.11 116.97 113.47 1wh6 h TYR 12 Ca 0.04 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.87 1wh6 h TYR 12 Cb 0.43 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.17 1wh6 h TYR 12 CO 0.05 0.02 0.14 1.98 -1.05 0.00 0.00 178.16 179.30 1wh6 h MET 13 N 0.00 0.00 0.00 4.88 4.05 -0.92 -1.75 114.93 121.19 1wh6 h MET 13 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1wh6 h MET 13 Cb 0.54 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.34 1wh6 h MET 13 CO 0.00 0.00 -0.37 0.66 0.23 0.00 0.00 176.91 177.44 1wh6 n TYR 14 N -4.28 0.30 -2.28 1.39 4.01 -1.17 -4.95 117.16 110.17 1wh6 n TYR 14 Ca 0.01 0.09 0.00 0.00 -0.16 0.00 0.00 57.90 57.84 1wh6 n TYR 14 Cb 0.28 -0.52 0.00 0.00 -0.31 0.00 0.00 39.34 38.78 1wh6 n TYR 14 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1wh6 n ARG 15 N -1.79 3.79 -4.31 -0.72 0.00 -0.66 -5.17 116.66 107.80 1wh6 n ARG 15 Ca 0.05 0.00 -0.17 0.00 -0.00 0.00 0.00 57.85 57.73 1wh6 n ARG 15 Cb 0.38 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.74 1wh6 n ARG 15 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1wh6 s GLU 16 N 2.05 1.45 0.08 -0.14 -1.05 -1.26 -5.05 118.70 114.79 1wh6 s GLU 16 Ca 0.00 -1.80 -0.07 0.00 -0.15 0.00 0.00 54.97 52.95 1wh6 s GLU 16 Cb 0.00 -0.15 -0.01 0.00 -0.44 0.00 0.00 34.13 33.53 1wh6 s GLU 16 CO 0.00 -0.36 0.14 0.54 0.95 0.00 0.00 175.26 176.53 1wh6 s VAL 17 N -3.75 0.16 -1.01 1.83 0.11 -1.26 -5.09 120.40 111.38 1wh6 s VAL 17 Ca 0.37 -1.34 -0.19 0.00 -2.93 0.00 0.00 61.98 57.89 1wh6 s VAL 17 Cb 0.07 -1.41 0.11 0.00 -1.53 0.00 0.00 36.38 33.62 1wh6 s VAL 17 CO 0.15 -0.71 1.29 -1.81 -3.33 0.00 0.00 175.10 170.68 1wh6 s ASP 18 N -2.88 6.67 0.00 3.54 1.01 -1.26 -4.56 116.67 119.19 1wh6 s ASP 18 Ca 0.06 -2.04 0.10 0.00 0.71 0.00 0.00 52.55 51.38 1wh6 s ASP 18 Cb 0.06 -2.46 0.45 0.00 1.01 0.00 0.00 42.92 41.98 1wh6 s ASP 18 CO -0.10 -1.15 1.24 0.35 0.21 0.00 0.00 175.17 175.73 1wh6 n THR 19 N 5.80 1.04 0.02 -1.27 -2.24 -1.26 -0.43 114.28 115.95 1wh6 n THR 19 Ca 0.30 0.26 0.02 0.00 -2.27 0.00 0.00 64.05 62.36 1wh6 n THR 19 Cb 0.49 -1.10 -0.09 0.00 -2.10 0.00 0.00 70.33 67.53 1wh6 n THR 19 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1wh6 n LEU 20 N -1.38 0.64 -0.06 3.22 7.99 -1.26 -3.78 117.00 122.36 1wh6 n LEU 20 Ca 0.04 0.27 -0.19 0.00 -0.01 0.00 0.00 56.01 56.12 1wh6 n LEU 20 Cb 0.09 0.09 -0.13 0.00 -0.11 0.00 0.00 43.42 43.36 1wh6 n LEU 20 CO 0.08 0.11 -1.05 -0.62 -1.51 0.00 0.00 177.39 174.40 1wh6 n GLU 21 N -2.75 0.70 0.02 3.23 -0.58 -0.24 -3.57 120.64 117.46 1wh6 n GLU 21 Ca -0.10 0.20 -0.13 0.00 -0.42 0.00 0.00 57.16 56.71 1wh6 n GLU 21 Cb 0.79 -1.62 -0.07 0.00 -0.57 0.00 0.00 31.44 29.97 1wh6 n GLU 21 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1wh6 h LEU 22 N 0.03 -1.39 -0.46 -4.62 5.85 -0.96 0.13 115.31 113.89 1wh6 h LEU 22 Ca -0.49 0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.44 1wh6 h LEU 22 Cb 1.99 0.55 -0.04 0.00 0.37 0.00 0.00 40.66 43.53 1wh6 h LEU 22 CO 0.01 -0.45 0.22 0.71 -0.34 0.00 0.00 178.44 178.59 1wh6 h THR 23 N -0.54 0.95 0.08 1.05 1.35 -1.76 -0.57 112.91 113.47 1wh6 h THR 23 Ca 0.06 -0.15 0.02 0.00 -0.55 0.00 0.00 66.41 65.78 1wh6 h THR 23 Cb 0.65 0.47 -0.05 0.00 -1.73 0.00 0.00 68.15 67.49 1wh6 h THR 23 CO -0.38 0.08 -0.53 0.03 -0.25 0.00 0.00 175.52 174.47 1wh6 h ARG 24 N 0.44 -0.70 -0.65 4.72 -0.00 -1.37 0.34 114.38 117.16 1wh6 h ARG 24 Ca 0.20 0.05 0.06 0.00 -0.50 0.00 0.00 59.98 59.79 1wh6 h ARG 24 Cb 0.12 0.16 -0.05 0.00 0.00 0.00 0.00 29.97 30.20 1wh6 h ARG 24 CO -0.15 -0.47 0.36 1.96 0.00 0.00 0.00 179.97 181.67 1wh6 h GLN 25 N -0.72 0.64 0.58 0.04 4.20 -0.59 0.58 115.11 119.85 1wh6 h GLN 25 Ca 0.00 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1wh6 h GLN 25 Cb 0.75 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 1wh6 h GLN 25 CO -0.31 0.42 -0.40 0.28 -0.67 0.00 0.00 178.83 178.15 1wh6 h VAL 26 N 0.66 0.18 0.10 -0.54 2.07 -0.47 -0.13 116.25 118.12 1wh6 h VAL 26 Ca 0.29 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.83 1wh6 h VAL 26 Cb 0.19 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 1wh6 h VAL 26 CO -0.19 0.00 -0.23 0.11 0.02 0.00 0.00 177.57 177.29 1wh6 h LYS 27 N -0.95 -0.40 -0.66 1.57 1.57 0.02 0.12 116.57 117.84 1wh6 h LYS 27 Ca -0.07 0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1wh6 h LYS 27 Cb 0.79 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.16 1wh6 h LYS 27 CO 0.04 -0.27 0.14 0.93 -0.57 0.00 0.00 179.45 179.72 1wh6 h GLU 28 N -0.41 1.06 -0.06 3.15 5.08 -0.88 -0.01 114.58 122.51 1wh6 h GLU 28 Ca 0.03 -0.26 -0.23 0.00 -1.00 0.00 0.00 59.36 57.91 1wh6 h GLU 28 Cb 0.44 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.56 1wh6 h GLU 28 CO -0.14 0.95 -0.88 -0.22 -1.00 0.00 0.00 179.01 177.73 1wh6 h LYS 29 N 1.00 0.58 -0.56 2.33 3.64 -0.76 0.42 116.57 123.21 1wh6 h LYS 29 Ca 0.21 -0.55 0.01 0.00 -1.27 0.00 0.00 60.65 59.05 1wh6 h LYS 29 Cb 0.39 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 1wh6 h LYS 29 CO 0.01 1.17 0.37 -0.07 -2.27 0.00 0.00 179.45 178.65 1wh6 h LEU 30 N 0.36 0.63 -0.25 5.20 3.38 -0.59 -0.87 115.31 123.16 1wh6 h LEU 30 Ca -0.07 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1wh6 h LEU 30 Cb 1.50 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 1wh6 h LEU 30 CO 0.16 0.45 0.16 0.00 0.09 0.00 0.00 178.44 179.31 1wh6 h ALA 31 N 1.22 0.32 -0.97 1.53 0.00 -0.85 0.14 119.26 120.64 1wh6 h ALA 31 Ca 0.21 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.24 1wh6 h ALA 31 Cb -0.06 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.53 1wh6 h ALA 31 CO -0.06 -0.19 0.58 -0.22 0.00 0.00 0.00 179.25 179.37 1wh6 h LYS 32 N 0.33 0.81 0.00 0.00 3.64 -0.47 -2.21 116.57 118.66 1wh6 h LYS 32 Ca 0.09 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 1wh6 h LYS 32 Cb -0.01 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 1wh6 h LYS 32 CO -0.02 0.53 -0.93 -0.91 -2.27 0.00 0.00 179.45 175.86 1wh6 h ASN 33 N 0.83 0.00 0.00 4.20 2.35 -0.95 -3.49 115.58 118.53 1wh6 h ASN 33 Ca 0.52 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.27 1wh6 h ASN 33 Cb 0.68 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.05 1wh6 h ASN 33 CO -0.33 0.18 0.00 0.61 -1.65 0.00 0.00 177.43 176.24 1wh6 n GLY 34 N 1.23 0.99 3.76 2.83 0.00 -0.06 -4.48 105.19 109.45 1wh6 n GLY 34 Ca -0.02 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.00 4.78 -0.26 -0.61 1.01 0.28 -4.60 121.20 119.80 1wh6 s ILE 35 Ca 0.00 1.44 -0.29 0.00 0.00 0.00 0.00 60.65 61.81 1wh6 s ILE 35 Cb 0.00 -4.02 -0.02 0.00 0.01 0.00 0.00 42.46 38.42 1wh6 s ILE 35 CO 0.00 0.41 1.69 0.00 0.00 0.00 0.00 174.94 177.04 1wh6 h GLN 37 N 11.51 0.28 -0.21 0.00 4.20 -1.95 -2.05 115.11 126.88 1wh6 h GLN 37 Ca -0.34 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.37 1wh6 h GLN 37 Cb 1.16 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.85 1wh6 h GLN 37 CO 1.01 0.33 -0.04 0.07 -0.67 0.00 0.00 178.83 179.53 1wh6 h ARG 38 N 0.28 0.01 -0.36 1.46 0.11 -1.95 -2.29 114.38 111.63 1wh6 h ARG 38 Ca 0.06 -0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.05 1wh6 h ARG 38 Cb 0.23 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.30 1wh6 h ARG 38 CO 0.01 0.01 -0.12 0.82 0.10 0.00 0.00 179.97 180.78 1wh6 h ILE 39 N 0.01 1.28 -0.70 0.08 2.04 -1.78 -0.95 117.51 117.50 1wh6 h ILE 39 Ca 0.10 -1.22 0.14 0.00 1.00 0.00 0.00 64.86 64.89 1wh6 h ILE 39 Cb 0.15 1.31 -0.10 0.00 -0.74 0.00 0.00 36.82 37.44 1wh6 h ILE 39 CO -0.21 0.40 0.19 0.15 0.00 0.00 0.00 178.15 178.69 1wh6 h PHE 40 N 0.52 0.31 0.19 1.37 3.04 -1.40 0.17 116.94 121.15 1wh6 h PHE 40 Ca 0.09 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 62.07 1wh6 h PHE 40 Cb 0.65 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.12 1wh6 h PHE 40 CO 0.05 -0.03 -0.13 0.78 -2.02 0.00 0.00 178.31 176.96 1wh6 h GLY 41 N 0.31 -0.32 2.00 2.40 0.00 -0.68 0.11 103.07 106.89 1wh6 h GLY 41 Ca 0.39 0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.86 1wh6 h GLY 41 CO -0.45 -0.13 -0.01 0.83 0.00 0.00 0.00 176.54 176.77 1wh6 h GLU 42 N -0.32 0.00 0.00 4.80 4.39 -0.28 0.87 114.58 124.03 1wh6 h GLU 42 Ca -0.01 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1wh6 h GLU 42 Cb 0.28 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1wh6 h GLU 42 CO 0.01 0.01 -1.06 1.63 -1.16 0.00 0.00 179.01 178.43 1wh6 n LYS 43 N -3.11 1.14 -0.05 2.33 5.02 -0.04 -4.46 118.16 118.99 1wh6 n LYS 43 Ca -0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 1wh6 n LYS 43 Cb 0.27 -1.02 -0.02 0.00 -0.02 0.00 0.00 35.03 34.24 1wh6 n LYS 43 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1wh6 h VAL 44 N 0.00 0.26 0.00 -0.18 2.07 -0.91 -3.42 116.25 114.07 1wh6 h VAL 44 Ca -0.03 -1.20 -0.24 0.00 0.82 0.00 0.00 66.70 66.06 1wh6 h VAL 44 Cb 1.04 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 1wh6 h VAL 44 CO -0.00 0.09 -1.23 -0.07 0.02 0.00 0.00 177.57 176.37 1wh6 h LEU 45 N -1.00 0.00 0.00 2.57 3.38 -1.15 -3.48 115.31 115.63 1wh6 h LEU 45 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1wh6 h LEU 45 Cb 0.16 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1wh6 h LEU 45 CO -0.00 1.00 0.00 0.61 0.09 0.00 0.00 178.44 180.14 1wh6 n GLY 46 N 1.42 0.49 3.39 0.83 0.00 0.15 -4.69 105.19 106.77 1wh6 n GLY 46 Ca -0.06 -0.92 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 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 0.00 3.01 1.03 0.99 1.43 -0.31 -4.94 118.68 119.89 1wh6 s LEU 47 Ca 0.00 -0.29 -0.16 0.00 -1.03 0.00 0.00 54.13 52.64 1wh6 s LEU 47 Cb 0.00 -1.75 0.04 0.00 0.03 0.00 0.00 46.19 44.52 1wh6 s LEU 47 CO 0.00 0.06 0.05 -1.20 0.23 0.00 0.00 176.35 175.49 1wh6 n SER 48 N 4.23 -2.51 -0.05 2.29 7.64 -1.26 -2.47 113.62 121.49 1wh6 n SER 48 Ca -0.18 0.09 -0.09 0.00 1.01 0.00 0.00 58.87 59.71 1wh6 n SER 48 Cb 0.52 -1.03 -0.02 0.00 -1.01 0.00 0.00 64.21 62.66 1wh6 n SER 48 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1wh6 h GLN 49 N -1.73 0.18 0.00 1.43 4.20 -1.97 0.69 115.11 117.91 1wh6 h GLN 49 Ca -0.48 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.18 1wh6 h GLN 49 Cb 1.33 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.06 1wh6 h GLN 49 CO 0.35 0.12 -0.19 0.78 -0.67 0.00 0.00 178.83 179.22 1wh6 h GLY 50 N 0.19 0.00 0.07 3.46 0.00 -1.99 -2.06 103.07 102.74 1wh6 h GLY 50 Ca 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 1wh6 h GLY 50 CO -0.09 0.00 -0.04 1.76 0.00 0.00 0.00 176.54 178.18 1wh6 h SER 51 N 0.00 -0.08 -0.84 0.19 0.02 -1.52 -3.20 113.55 108.12 1wh6 h SER 51 Ca -0.00 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1wh6 h SER 51 Cb 0.59 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.11 1wh6 h SER 51 CO 0.02 -0.01 0.56 1.62 -1.14 0.00 0.00 176.83 177.88 1wh6 h VAL 52 N -0.20 1.19 -0.27 2.27 3.04 -0.94 -1.39 116.25 119.95 1wh6 h VAL 52 Ca -0.01 -0.38 -0.02 0.00 -1.01 0.00 0.00 66.70 65.28 1wh6 h VAL 52 Cb 0.08 -0.02 -0.01 0.00 -2.01 0.00 0.00 31.29 29.33 1wh6 h VAL 52 CO 0.02 0.20 0.10 -1.28 -1.01 0.00 0.00 177.57 175.59 1wh6 h SER 53 N 1.11 0.38 -0.36 3.17 0.87 -1.55 0.11 113.55 117.28 1wh6 h SER 53 Ca 0.32 -0.19 -0.08 0.00 -1.23 0.00 0.00 61.79 60.61 1wh6 h SER 53 Cb -0.08 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 1wh6 h SER 53 CO -0.08 0.47 -0.06 -0.78 -0.53 0.00 0.00 176.83 175.85 1wh6 h ASP 54 N 0.28 0.75 0.72 6.23 3.58 -1.42 -0.78 116.42 125.77 1wh6 h ASP 54 Ca 0.09 -0.20 -0.03 0.00 0.42 0.00 0.00 57.03 57.31 1wh6 h ASP 54 Cb 0.21 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.06 1wh6 h ASP 54 CO -0.01 0.85 -0.42 -0.03 -2.88 0.00 0.00 179.24 176.75 1wh6 h MET 55 N 0.71 -1.02 0.00 0.28 4.05 -0.93 0.11 114.93 118.12 1wh6 h MET 55 Ca 0.13 0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.60 1wh6 h MET 55 Cb 0.51 0.23 -0.00 0.00 -0.80 0.00 0.00 31.60 31.54 1wh6 h MET 55 CO 0.03 -0.68 -0.07 -0.07 0.23 0.00 0.00 176.91 176.35 1wh6 h LEU 56 N -1.06 0.00 0.07 3.39 3.38 -0.92 -0.94 115.31 119.23 1wh6 h LEU 56 Ca -0.10 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1wh6 h LEU 56 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1wh6 h LEU 56 CO 0.11 0.07 -0.03 -1.28 0.09 0.00 0.00 178.44 177.40 1wh6 h SER 57 N 0.00 -0.08 -2.25 -0.43 0.87 -0.98 -3.43 113.55 107.25 1wh6 h SER 57 Ca -0.00 -0.50 -0.58 0.00 -1.23 0.00 0.00 61.79 59.48 1wh6 h SER 57 Cb 0.26 0.02 -0.40 0.00 -0.44 0.00 0.00 62.40 61.84 1wh6 h SER 57 CO 0.01 0.61 -0.92 -2.11 -0.53 0.00 0.00 176.83 173.89 1wh6 n ARG 58 N -4.79 1.02 -1.03 2.24 1.85 0.01 -5.09 116.66 110.87 1wh6 n ARG 58 Ca -0.07 -3.61 -0.31 0.00 -1.00 0.00 0.00 57.85 52.87 1wh6 n ARG 58 Cb 0.28 -1.64 0.14 0.00 -1.05 0.00 0.00 32.46 30.18 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 -1.11 1.44 0.24 2.89 0.04 -0.37 -4.67 135.00 133.47 1wh6 s PRO 59 Ca 0.34 1.17 0.09 0.00 0.04 0.00 0.00 61.00 62.65 1wh6 s PRO 59 Cb 0.11 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.80 1wh6 s PRO 59 CO -0.12 -2.22 -0.01 0.15 0.04 0.00 0.00 177.00 174.84 1wh6 s LYS 60 N -4.81 2.30 0.51 4.56 1.02 -1.26 -5.00 119.74 117.05 1wh6 s LYS 60 Ca 0.64 -1.34 -0.21 0.00 0.02 0.00 0.00 55.97 55.07 1wh6 s LYS 60 Cb -0.19 -2.20 -0.06 0.00 -0.52 0.00 0.00 37.83 34.85 1wh6 s LYS 60 CO 0.57 0.39 1.16 -1.25 -0.92 0.00 0.00 175.35 175.31 1wh6 s PRO 61 N -3.47 3.51 0.35 -1.68 0.04 -1.26 -4.79 135.00 127.70 1wh6 s PRO 61 Ca 0.30 1.74 0.10 0.00 0.04 0.00 0.00 61.00 63.18 1wh6 s PRO 61 Cb -0.07 -2.21 0.86 0.00 0.04 0.00 0.00 34.50 33.12 1wh6 s PRO 61 CO 0.19 -0.75 1.81 2.35 0.04 0.00 0.00 177.00 180.65 1wh6 h TRP 62 N 1.60 0.86 -0.90 0.56 2.91 -1.94 -0.82 115.95 118.23 1wh6 h TRP 62 Ca -0.50 0.03 0.04 0.00 1.13 0.00 0.00 58.89 59.58 1wh6 h TRP 62 Cb 1.26 -0.26 -0.05 0.00 -0.51 0.00 0.00 29.16 29.59 1wh6 h TRP 62 CO 0.52 0.22 0.59 0.77 -1.03 0.00 0.00 178.44 179.51 1wh6 h SER 63 N 0.64 0.97 1.00 2.65 0.02 -1.93 -1.35 113.55 115.55 1wh6 h SER 63 Ca 0.53 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.47 1wh6 h SER 63 Cb 0.97 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.29 1wh6 h SER 63 CO -0.29 0.67 0.00 0.29 -1.14 0.00 0.00 176.83 176.36 1wh6 n LYS 64 N -4.44 0.13 -3.40 3.45 4.76 -0.32 -4.82 118.16 113.52 1wh6 n LYS 64 Ca 0.12 0.22 -0.32 0.00 -2.87 0.00 0.00 58.31 55.46 1wh6 n LYS 64 Cb 0.10 -1.69 -0.05 0.00 -1.84 0.00 0.00 35.03 31.55 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 -3.86 4.19 0.78 -0.35 1.43 -0.51 -5.01 118.68 115.34 1wh6 s LEU 65 Ca 0.09 0.95 -0.06 0.00 -1.03 0.00 0.00 54.13 54.08 1wh6 s LEU 65 Cb 0.13 -3.64 0.13 0.00 0.03 0.00 0.00 46.19 42.84 1wh6 s LEU 65 CO 0.47 -0.05 1.08 0.42 0.23 0.00 0.00 176.35 178.50 1wh6 s THR 66 N -1.77 2.15 0.24 5.49 -4.23 -1.26 -4.84 115.64 111.41 1wh6 s THR 66 Ca 0.46 -0.37 -0.04 0.00 -1.18 0.00 0.00 61.69 60.56 1wh6 s THR 66 Cb -0.12 -2.77 0.21 0.00 1.34 0.00 0.00 72.50 71.16 1wh6 s THR 66 CO 0.21 0.00 1.80 1.56 -0.54 0.00 0.00 174.62 177.65 1wh6 h GLN 67 N -0.83 0.73 -0.84 3.99 4.20 -1.98 0.15 115.11 120.54 1wh6 h GLN 67 Ca -0.40 -0.04 0.07 0.00 0.06 0.00 0.00 58.65 58.33 1wh6 h GLN 67 Cb 1.27 -0.16 -0.05 0.00 0.30 0.00 0.00 27.48 28.83 1wh6 h GLN 67 CO 0.44 0.48 0.55 0.87 -0.67 0.00 0.00 178.83 180.50 1wh6 h LYS 68 N 0.75 0.89 0.00 1.46 1.79 -2.01 -1.43 116.57 118.02 1wh6 h LYS 68 Ca 0.39 -0.05 -0.16 0.00 -2.18 0.00 0.00 60.65 58.65 1wh6 h LYS 68 Cb 0.38 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 1wh6 h LYS 68 CO -0.26 0.59 -0.77 0.78 -1.08 0.00 0.00 179.45 178.70 1wh6 h GLY 69 N 0.91 0.00 2.00 3.86 0.00 -1.52 -3.30 103.07 105.01 1wh6 h GLY 69 Ca 0.36 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.55 1wh6 h GLY 69 CO -0.13 0.00 -0.66 3.21 0.00 0.00 0.00 176.54 178.95 1wh6 h ARG 70 N 0.00 0.00 -0.82 4.80 3.08 -0.18 -3.39 114.38 117.86 1wh6 h ARG 70 Ca -0.02 0.00 0.17 0.00 0.07 0.00 0.00 59.98 60.20 1wh6 h ARG 70 Cb 1.57 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 31.46 1wh6 h ARG 70 CO 0.09 0.66 -0.20 1.49 -1.07 0.00 0.00 179.97 180.95 1wh6 h GLU 71 N 0.00 0.00 -0.20 0.04 4.81 -1.36 0.12 114.58 117.99 1wh6 h GLU 71 Ca -0.01 -0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.05 1wh6 h GLU 71 Cb 1.39 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.78 1wh6 h GLU 71 CO 0.09 0.00 -0.56 -1.00 -0.73 0.00 0.00 179.01 176.81 1wh6 h PRO 72 N 0.00 0.73 -0.61 0.92 0.13 -1.82 -2.93 132.00 128.42 1wh6 h PRO 72 Ca 0.40 -0.52 0.08 0.00 -0.87 0.00 0.00 66.00 65.09 1wh6 h PRO 72 Cb 0.61 0.08 -0.04 0.00 0.13 0.00 0.00 31.00 31.79 1wh6 h PRO 72 CO -0.85 1.14 0.41 0.74 -0.23 0.00 0.00 178.00 179.21 1wh6 h PHE 73 N 0.44 0.51 -0.23 1.56 0.04 -1.44 -0.63 116.94 117.19 1wh6 h PHE 73 Ca -0.01 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1wh6 h PHE 73 Cb 1.18 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 39.15 1wh6 h PHE 73 CO 0.09 0.26 0.08 0.82 -0.60 0.00 0.00 178.31 178.95 1wh6 h ILE 74 N 0.49 1.19 -0.71 -0.55 2.04 -0.72 -0.55 117.51 118.70 1wh6 h ILE 74 Ca 0.28 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 1wh6 h ILE 74 Cb 0.44 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 1wh6 h ILE 74 CO -0.08 0.19 0.40 0.03 0.00 0.00 0.00 178.15 178.69 1wh6 h ARG 75 N 0.21 0.97 -0.33 2.37 3.08 -1.18 -0.59 114.38 118.91 1wh6 h ARG 75 Ca 0.08 -0.10 0.05 0.00 0.07 0.00 0.00 59.98 60.08 1wh6 h ARG 75 Cb 0.22 -0.20 -0.05 0.00 0.08 0.00 0.00 29.97 30.03 1wh6 h ARG 75 CO -0.00 0.70 0.05 1.98 -1.07 0.00 0.00 179.97 181.62 1wh6 h MET 76 N 0.98 0.15 -0.23 0.04 4.05 -0.88 -1.63 114.93 117.41 1wh6 h MET 76 Ca 0.25 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.65 1wh6 h MET 76 Cb 0.01 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.76 1wh6 h MET 76 CO -0.04 0.10 0.12 1.96 0.23 0.00 0.00 176.91 179.27 1wh6 h GLN 77 N 0.15 0.34 0.21 0.39 4.20 -0.05 -3.18 115.11 117.17 1wh6 h GLN 77 Ca 0.16 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 1wh6 h GLN 77 Cb 0.18 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1wh6 h GLN 77 CO -0.22 0.34 -0.10 -0.07 -0.67 0.00 0.00 178.83 178.10 1wh6 h LEU 78 N 0.25 -0.24 -1.87 1.46 3.38 -1.04 -3.07 115.31 114.18 1wh6 h LEU 78 Ca 0.08 -0.04 0.22 0.00 0.09 0.00 0.00 57.88 58.23 1wh6 h LEU 78 Cb 0.11 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1wh6 h LEU 78 CO -0.01 -0.12 0.57 -0.25 0.09 0.00 0.00 178.44 178.72 1wh6 h TRP 79 N -0.35 0.14 0.44 1.13 7.01 -1.28 0.35 115.95 123.40 1wh6 h TRP 79 Ca -0.03 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.97 1wh6 h TRP 79 Cb 0.27 -0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 27.26 1wh6 h TRP 79 CO -0.04 0.04 -0.48 -0.07 -2.79 0.00 0.00 178.44 175.09 1wh6 h LEU 80 N 0.11 -1.33 0.05 0.65 3.38 -1.56 -2.83 115.31 113.78 1wh6 h LEU 80 Ca 0.39 0.11 -0.36 0.00 0.09 0.00 0.00 57.88 58.11 1wh6 h LEU 80 Cb 1.39 0.45 -0.04 0.00 0.09 0.00 0.00 40.66 42.54 1wh6 h LEU 80 CO -0.05 -0.63 -2.09 -1.20 0.09 0.00 0.00 178.44 174.57 1wh6 n SER 81 N -5.54 2.01 -0.16 -0.43 7.64 -0.27 -4.30 113.62 112.57 1wh6 n SER 81 Ca -0.11 0.17 -0.02 0.00 1.01 0.00 0.00 58.87 59.92 1wh6 n SER 81 Cb 0.44 -0.75 0.07 0.00 -1.01 0.00 0.00 64.21 62.97 1wh6 n SER 81 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1wh6 h ASP 82 N -0.31 0.01 0.00 6.43 1.82 -0.56 -3.47 116.42 120.34 1wh6 h ASP 82 Ca -0.50 0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.23 1wh6 h ASP 82 Cb 1.80 0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.93 1wh6 h ASP 82 CO -0.10 0.03 0.00 0.00 -1.61 0.00 0.00 179.24 177.56 1wh6 n GLN 83 N -5.11 0.00 0.00 0.28 6.02 -1.07 -5.01 117.38 112.49 1wh6 n GLN 83 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 1wh6 n GLN 83 Cb 0.25 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.51 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 0.00 -2.80 1.08 4.77 -1.26 -4.83 117.00 113.96 1wh6 n LEU 84 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 1wh6 n LEU 84 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1wh6 n LEU 84 CO 0.00 0.00 -0.30 0.61 -1.33 0.00 0.00 177.39 176.37 1wh6 n GLY 85 N 0.00 0.08 0.16 -0.72 0.00 -1.26 -4.90 105.19 98.56 1wh6 n GLY 85 Ca 0.00 0.49 -0.05 0.00 0.00 0.00 0.00 46.02 46.46 1wh6 n GLY 85 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1wh6 h GLN 86 N 2.29 0.14 0.00 1.61 7.50 -1.96 -3.48 115.11 121.22 1wh6 h GLN 86 Ca -0.24 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 58.90 1wh6 h GLN 86 Cb 0.96 -0.03 0.00 0.00 0.05 0.00 0.00 27.48 28.45 1wh6 h GLN 86 CO 0.10 0.10 0.00 0.00 -1.50 0.00 0.00 178.83 177.52 1wh6 n ALA 87 N -2.49 0.00 -0.30 3.87 0.00 -1.26 -5.19 120.51 115.14 1wh6 n ALA 87 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1wh6 n ALA 87 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 1wh6 n ALA 87 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1wh6 n VAL 88 N 0.00 -1.09 0.00 0.00 0.31 -1.26 -5.08 118.33 111.21 1wh6 n VAL 88 Ca 0.00 0.36 0.00 0.00 -0.01 0.00 0.00 64.34 64.69 1wh6 n VAL 88 Cb 0.00 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.40 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 -1.40 -1.58 3.56 2.92 0.00 -1.26 -4.92 105.19 102.50 1wh6 n GLY 89 Ca 0.00 0.58 -0.32 0.00 0.00 0.00 0.00 46.02 46.28 1wh6 n GLY 89 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wh6 s GLN 90 N 0.00 2.88 0.02 1.61 -0.21 -1.26 -4.53 119.66 118.17 1wh6 s GLN 90 Ca 0.00 -0.50 -0.05 0.00 0.02 0.00 0.00 55.36 54.83 1wh6 s GLN 90 Cb 0.00 -5.10 -0.01 0.00 1.00 0.00 0.00 33.01 28.90 1wh6 s GLN 90 CO 0.00 -2.98 0.08 -0.65 -2.12 0.00 0.00 175.29 169.62 1wh6 s GLN 91 N 6.38 0.49 -0.21 2.91 -0.21 -1.26 -5.14 119.66 122.62 1wh6 s GLN 91 Ca 0.62 -0.59 -0.29 0.00 0.02 0.00 0.00 55.36 55.12 1wh6 s GLN 91 Cb -0.05 0.19 -0.01 0.00 1.00 0.00 0.00 33.01 34.14 1wh6 s GLN 91 CO -0.02 -0.11 1.26 -1.25 -2.12 0.00 0.00 175.29 173.04 1wh6 s PRO 92 N -1.89 4.15 -0.47 2.91 0.04 -1.26 -4.91 135.00 133.57 1wh6 s PRO 92 Ca -0.11 1.52 0.04 0.00 0.04 0.00 0.00 61.00 62.50 1wh6 s PRO 92 Cb -0.06 -3.79 0.24 0.00 0.04 0.00 0.00 34.50 30.93 1wh6 s PRO 92 CO -0.01 -0.82 0.92 0.41 0.04 0.00 0.00 177.00 177.54 1wh6 n GLY 93 N 3.79 -0.39 3.72 0.56 0.00 -1.26 -5.14 105.19 106.47 1wh6 n GLY 93 Ca 0.14 0.36 -0.42 0.00 0.00 0.00 0.00 46.02 46.10 1wh6 n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wh6 n ALA 94 N 1.86 2.57 0.76 4.61 0.00 -1.26 -4.91 120.51 124.14 1wh6 n ALA 94 Ca 0.09 0.39 0.13 0.00 0.00 0.00 0.00 53.44 54.06 1wh6 n ALA 94 Cb 0.63 -2.48 0.40 0.00 0.00 0.00 0.00 19.45 18.00 1wh6 n ALA 94 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wh6 n SER 95 N 3.16 0.54 -2.27 0.00 2.88 -1.26 -5.02 113.62 111.65 1wh6 n SER 95 Ca 0.13 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 1wh6 n SER 95 Cb 0.35 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.42 1wh6 n SER 95 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wh6 n SER 96 N -1.94 -5.39 -3.20 -3.46 7.64 -1.26 -5.05 113.62 100.96 1wh6 n SER 96 Ca 0.05 0.73 -0.05 0.00 1.01 0.00 0.00 58.87 60.61 1wh6 n SER 96 Cb 0.40 -1.16 0.02 0.00 -1.01 0.00 0.00 64.21 62.46 1wh6 n SER 96 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wh6 s GLY 97 N 0.00 0.21 0.94 0.23 0.00 -1.26 -5.17 107.32 102.27 1wh6 s GLY 97 Ca 0.00 -0.50 -0.14 0.00 0.00 0.00 0.00 44.72 44.09 1wh6 s GLY 97 CO 0.00 1.40 1.18 2.56 0.00 0.00 0.00 173.10 178.23 1wh6 s PRO 98 N -2.22 0.90 -0.28 2.90 0.04 -1.26 -5.10 135.00 129.97 1wh6 s PRO 98 Ca 0.19 0.09 -0.00 0.00 0.04 0.00 0.00 61.00 61.32 1wh6 s PRO 98 Cb -0.04 -1.83 0.14 0.00 0.04 0.00 0.00 34.50 32.81 1wh6 s PRO 98 CO 0.08 -2.32 0.32 0.45 0.04 0.00 0.00 177.00 175.56 1wh6 s SER 99 N -4.26 1.37 1.06 6.66 0.15 -1.26 -5.16 113.70 112.26 1wh6 s SER 99 Ca 0.66 -0.63 -0.17 0.00 0.70 0.00 0.00 55.95 56.51 1wh6 s SER 99 Cb -0.12 0.64 0.23 0.00 -1.71 0.00 0.00 66.02 65.07 1wh6 s SER 99 CO 0.53 -0.38 1.22 -0.44 1.20 0.00 0.00 173.24 175.37 1wh6 s SER 100 N 2.40 2.24 0.00 5.45 0.01 -1.26 -5.37 113.70 117.17 1wh6 s SER 100 Ca 0.09 0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.82 1wh6 s SER 100 Cb -0.14 -0.63 0.00 0.00 0.21 0.00 0.00 66.02 65.47 1wh6 s SER 100 CO -0.31 -3.29 0.41 0.61 0.41 0.00 0.00 173.24 171.07