#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh4 s SER 2 N 0.00 2.37 -0.28 1.61 0.01 -1.26 -5.16 113.70 111.00 1wh4 s SER 2 Ca 0.00 -1.26 0.01 0.00 1.31 0.00 0.00 55.95 56.01 1wh4 s SER 2 Cb 0.00 -0.09 0.17 0.00 0.21 0.00 0.00 66.02 66.31 1wh4 s SER 2 CO 0.00 -0.48 0.50 -0.55 0.41 0.00 0.00 173.24 173.12 1wh4 s SER 3 N -3.42 -0.60 0.00 2.44 0.15 -1.26 -5.15 113.70 105.87 1wh4 s SER 3 Ca 0.31 0.25 0.00 0.00 0.70 0.00 0.00 55.95 57.21 1wh4 s SER 3 Cb 0.06 1.62 0.00 0.00 -1.71 0.00 0.00 66.02 65.98 1wh4 s SER 3 CO 0.12 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.87 1wh4 n GLY 4 N 5.39 2.58 3.60 9.45 0.00 -1.26 -5.12 105.19 119.83 1wh4 n GLY 4 Ca 0.00 -1.46 -0.03 0.00 0.00 0.00 0.00 46.02 44.54 1wh4 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wh4 s SER 5 N 0.00 -0.84 -0.01 1.61 0.15 -1.26 -5.19 113.70 108.16 1wh4 s SER 5 Ca 0.00 1.25 -0.22 0.00 0.70 0.00 0.00 55.95 57.69 1wh4 s SER 5 Cb 0.00 1.65 0.04 0.00 -1.71 0.00 0.00 66.02 66.01 1wh4 s SER 5 CO 0.00 -0.19 0.48 -0.55 1.20 0.00 0.00 173.24 174.18 1wh4 s SER 6 N 2.06 -0.40 0.87 5.45 0.15 -1.26 -5.16 113.70 115.41 1wh4 s SER 6 Ca -0.07 0.29 -0.12 0.00 0.70 0.00 0.00 55.95 56.75 1wh4 s SER 6 Cb -0.07 0.43 0.11 0.00 -1.71 0.00 0.00 66.02 64.78 1wh4 s SER 6 CO -0.18 -0.58 1.10 -0.83 1.20 0.00 0.00 173.24 173.95 1wh4 s GLY 7 N -1.49 1.62 0.03 9.45 0.00 -1.26 -5.00 107.32 110.66 1wh4 s GLY 7 Ca -0.10 -0.13 0.01 0.00 0.00 0.00 0.00 44.72 44.49 1wh4 s GLY 7 CO 0.04 0.34 -0.05 1.06 0.00 0.00 0.00 173.10 174.50 1wh4 s MET 8 N -5.02 0.39 0.06 2.90 1.00 -1.26 -5.04 119.30 112.33 1wh4 s MET 8 Ca 0.63 -0.68 -0.05 0.00 0.00 0.00 0.00 55.69 55.59 1wh4 s MET 8 Cb -0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 34.83 34.63 1wh4 s MET 8 CO 0.56 -0.02 0.09 1.21 0.00 0.00 0.00 175.02 176.86 1wh4 s ASN 9 N -1.54 0.26 -0.22 3.03 2.47 -1.26 -4.49 114.94 113.19 1wh4 s ASN 9 Ca -0.13 -0.72 -0.32 0.00 0.42 0.00 0.00 52.86 52.10 1wh4 s ASN 9 Cb -0.09 0.26 -0.09 0.00 -1.45 0.00 0.00 41.25 39.87 1wh4 s ASN 9 CO -0.01 -0.62 2.12 0.29 -3.72 0.00 0.00 177.10 175.16 1wh4 n LYS 10 N 0.27 1.77 0.00 0.43 5.02 -1.26 -4.98 118.16 119.41 1wh4 n LYS 10 Ca -0.16 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 1wh4 n LYS 10 Cb 0.61 -2.83 0.00 0.00 -0.02 0.00 0.00 35.03 32.79 1wh4 n LYS 10 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1wh4 n PRO 11 N 8.00 1.57 -1.62 1.97 -0.02 -1.26 -4.92 135.00 138.71 1wh4 n PRO 11 Ca 0.31 0.00 -0.52 0.00 -2.02 0.00 0.00 63.50 61.27 1wh4 n PRO 11 Cb 0.34 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.75 1wh4 n PRO 11 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1wh4 n LEU 12 N 0.00 2.71 -4.77 2.45 7.99 -1.25 -4.92 117.00 119.21 1wh4 n LEU 12 Ca 0.00 0.84 -0.37 0.00 -0.01 0.00 0.00 56.01 56.47 1wh4 n LEU 12 Cb 0.00 -1.26 -0.00 0.00 -0.11 0.00 0.00 43.42 42.05 1wh4 n LEU 12 CO 0.00 -0.38 0.83 0.42 -1.51 0.00 0.00 177.39 176.75 1wh4 s THR 13 N 4.90 3.00 0.37 -5.08 -4.23 -1.26 -4.70 115.64 108.65 1wh4 s THR 13 Ca 1.00 0.72 0.05 0.00 -1.18 0.00 0.00 61.69 62.28 1wh4 s THR 13 Cb -0.87 -3.35 0.22 0.00 1.34 0.00 0.00 72.50 69.84 1wh4 s THR 13 CO 0.56 -0.04 1.97 1.55 -0.54 0.00 0.00 174.62 178.12 1wh4 h PRO 14 N 1.80 0.57 0.00 3.99 0.13 -1.91 -0.68 132.00 135.90 1wh4 h PRO 14 Ca -0.50 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1wh4 h PRO 14 Cb 1.26 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1wh4 h PRO 14 CO 0.59 0.47 0.00 0.43 -0.23 0.00 0.00 178.00 179.26 1wh4 n SER 15 N -4.38 0.00 -4.69 1.44 7.64 -1.26 -0.38 113.62 111.99 1wh4 n SER 15 Ca 0.03 0.10 -0.44 0.00 1.01 0.00 0.00 58.87 59.57 1wh4 n SER 15 Cb 0.14 -0.34 -0.03 0.00 -1.01 0.00 0.00 64.21 62.97 1wh4 n SER 15 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1wh4 n THR 16 N -1.34 0.46 -2.44 0.44 -1.04 -0.26 -4.76 114.28 105.34 1wh4 n THR 16 Ca 0.09 -0.12 -0.34 0.00 -2.04 0.00 0.00 64.05 61.65 1wh4 n THR 16 Cb 0.20 -1.68 -0.02 0.00 -1.82 0.00 0.00 70.33 67.00 1wh4 n THR 16 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1wh4 s TYR 17 N 0.51 2.93 0.13 -1.42 2.02 -1.26 -0.23 117.35 120.03 1wh4 s TYR 17 Ca 0.72 1.56 -0.18 0.00 -0.37 0.00 0.00 57.07 58.80 1wh4 s TYR 17 Cb -0.60 -3.10 -0.03 0.00 -0.40 0.00 0.00 41.96 37.82 1wh4 s TYR 17 CO 0.42 -1.00 1.78 0.82 -1.57 0.00 0.00 175.55 176.00 1wh4 h ILE 18 N 1.38 1.04 0.00 2.71 1.08 -1.86 -0.74 117.51 121.12 1wh4 h ILE 18 Ca -0.49 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 63.86 1wh4 h ILE 18 Cb 1.23 0.67 0.00 0.00 -3.07 0.00 0.00 36.82 35.65 1wh4 h ILE 18 CO 0.58 0.06 0.00 -2.11 -0.69 0.00 0.00 178.15 176.00 1wh4 n ARG 19 N -4.93 0.03 0.22 2.37 1.85 -1.26 -1.26 116.66 113.68 1wh4 n ARG 19 Ca -0.02 0.45 0.12 0.00 -1.00 0.00 0.00 57.85 57.40 1wh4 n ARG 19 Cb 0.04 -1.58 0.16 0.00 -1.05 0.00 0.00 32.46 30.03 1wh4 n ARG 19 CO 0.00 0.00 0.00 -0.97 -0.01 0.00 0.00 177.63 176.65 1wh4 h ASN 20 N 0.00 0.00 -3.95 2.89 -1.24 -1.50 -3.46 115.58 108.31 1wh4 h ASN 20 Ca 0.00 0.00 -0.51 0.00 0.71 0.00 0.00 56.30 56.50 1wh4 h ASN 20 Cb 0.08 0.00 0.06 0.00 0.73 0.00 0.00 38.32 39.19 1wh4 h ASN 20 CO 0.00 0.02 0.52 -0.76 -1.29 0.00 0.00 177.43 175.91 1wh4 s LEU 21 N -6.21 4.16 0.49 0.34 1.43 -0.39 -4.98 118.68 113.53 1wh4 s LEU 21 Ca 0.07 2.38 -0.23 0.00 -1.03 0.00 0.00 54.13 55.32 1wh4 s LEU 21 Cb 0.05 -4.04 -0.06 0.00 0.03 0.00 0.00 46.19 42.16 1wh4 s LEU 21 CO 0.67 -0.75 1.26 0.21 0.23 0.00 0.00 176.35 177.98 1wh4 s ASN 22 N -1.12 5.80 0.59 2.29 3.84 -1.26 -4.82 114.94 120.26 1wh4 s ASN 22 Ca 0.58 2.54 0.28 0.00 0.21 0.00 0.00 52.86 56.47 1wh4 s ASN 22 Cb -0.31 -2.62 1.60 0.00 -0.55 0.00 0.00 41.25 39.36 1wh4 s ASN 22 CO 0.39 -1.19 2.04 1.62 -2.79 0.00 0.00 177.10 177.17 1wh4 h VAL 23 N 1.75 0.45 0.34 -5.21 3.04 -1.96 -0.50 116.25 114.16 1wh4 h VAL 23 Ca -0.50 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.18 1wh4 h VAL 23 Cb 1.27 0.78 -0.01 0.00 -2.01 0.00 0.00 31.29 31.32 1wh4 h VAL 23 CO 0.59 0.00 -0.25 1.23 -1.01 0.00 0.00 177.57 178.13 1wh4 h GLY 24 N 0.00 -0.61 1.44 3.17 0.00 -2.00 -0.85 103.07 104.23 1wh4 h GLY 24 Ca 0.12 0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.70 1wh4 h GLY 24 CO -0.00 -0.24 0.19 -2.22 0.00 0.00 0.00 176.54 174.27 1wh4 h ILE 25 N -0.58 1.19 -0.96 2.60 5.03 -1.50 -1.17 117.51 122.11 1wh4 h ILE 25 Ca -0.03 -0.59 0.04 0.00 -0.12 0.00 0.00 64.86 64.16 1wh4 h ILE 25 Cb 0.50 0.60 -0.06 0.00 -3.03 0.00 0.00 36.82 34.84 1wh4 h ILE 25 CO 0.01 0.23 0.62 -0.07 -0.68 0.00 0.00 178.15 178.26 1wh4 h LEU 26 N 0.71 1.03 -0.40 1.44 3.38 -0.91 0.67 115.31 121.23 1wh4 h LEU 26 Ca 0.17 -0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.95 1wh4 h LEU 26 Cb 0.15 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1wh4 h LEU 26 CO -0.02 0.69 -0.68 0.03 0.09 0.00 0.00 178.44 178.56 1wh4 h ARG 27 N 1.19 0.51 -0.50 1.13 3.08 -0.40 -0.74 114.38 118.65 1wh4 h ARG 27 Ca 0.39 -0.39 0.02 0.00 0.07 0.00 0.00 59.98 60.08 1wh4 h ARG 27 Cb 0.04 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 1wh4 h ARG 27 CO -0.13 1.01 0.29 0.87 -1.07 0.00 0.00 179.97 180.94 1wh4 h LYS 28 N 0.36 0.57 -0.03 0.04 1.57 -0.72 -1.16 116.57 117.20 1wh4 h LYS 28 Ca -0.02 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1wh4 h LYS 28 Cb 1.26 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 33.39 1wh4 h LYS 28 CO 0.12 0.38 -0.28 -0.07 -0.57 0.00 0.00 179.45 179.03 1wh4 h LEU 29 N 0.58 -0.84 -2.00 2.94 -0.00 -0.72 -2.70 115.31 112.58 1wh4 h LEU 29 Ca 0.20 0.12 0.01 0.00 -0.00 0.00 0.00 57.88 58.21 1wh4 h LEU 29 Cb 0.03 0.35 -0.00 0.00 -0.00 0.00 0.00 40.66 41.03 1wh4 h LEU 29 CO -0.10 -0.34 0.03 0.77 -0.00 0.00 0.00 178.44 178.80 1wh4 h SER 30 N -0.40 0.01 -0.36 -0.43 4.64 -0.59 0.17 113.55 116.59 1wh4 h SER 30 Ca 0.07 -0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.50 1wh4 h SER 30 Cb 0.51 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 1wh4 h SER 30 CO -0.26 0.00 0.26 -0.78 -0.87 0.00 0.00 176.83 175.18 1wh4 h ASP 31 N 0.01 0.00 0.00 4.97 3.58 -0.88 -0.07 116.42 124.03 1wh4 h ASP 31 Ca 0.02 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.34 1wh4 h ASP 31 Cb 0.06 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.09 1wh4 h ASP 31 CO -0.00 0.00 -1.78 0.49 -2.88 0.00 0.00 179.24 175.07 1wh4 n PHE 32 N -4.39 0.00 -0.03 0.28 3.72 -0.33 -4.63 117.46 112.08 1wh4 n PHE 32 Ca 0.06 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.52 1wh4 n PHE 32 Cb 0.44 -0.50 -0.16 0.00 -0.94 0.00 0.00 39.48 38.32 1wh4 n PHE 32 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1wh4 n ILE 33 N -2.26 0.27 0.13 4.37 2.08 -0.10 -4.23 119.36 119.61 1wh4 n ILE 33 Ca -0.13 -0.55 -0.13 0.00 0.56 0.00 0.00 62.75 62.50 1wh4 n ILE 33 Cb 0.68 -0.08 -0.06 0.00 -0.75 0.00 0.00 39.64 39.42 1wh4 n ILE 33 CO 0.00 0.00 0.00 -0.78 0.56 0.00 0.00 176.55 176.33 1wh4 h ASP 34 N 0.00 -0.50 -4.14 4.38 3.58 -1.24 -0.52 116.42 117.98 1wh4 h ASP 34 Ca -0.11 0.05 -0.50 0.00 0.42 0.00 0.00 57.03 56.90 1wh4 h ASP 34 Cb 1.22 0.18 0.15 0.00 1.72 0.00 0.00 39.33 42.60 1wh4 h ASP 34 CO 0.01 -0.27 0.26 -2.16 -2.88 0.00 0.00 179.24 174.19 1wh4 s PRO 35 N -6.11 1.47 -1.27 0.28 0.04 -1.26 -3.61 135.00 124.54 1wh4 s PRO 35 Ca -0.15 1.01 0.00 0.00 0.04 0.00 0.00 61.00 61.90 1wh4 s PRO 35 Cb 0.07 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.79 1wh4 s PRO 35 CO 0.65 -2.15 0.00 1.04 0.04 0.00 0.00 177.00 176.59 1wh4 n GLN 36 N -3.84 -1.66 -3.35 4.56 6.02 -1.26 -1.40 117.38 116.44 1wh4 n GLN 36 Ca 0.08 0.90 -0.24 0.00 -0.01 0.00 0.00 57.00 57.72 1wh4 n GLN 36 Cb 0.54 -5.27 0.02 0.00 1.02 0.00 0.00 30.24 26.54 1wh4 n GLN 36 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1wh4 n GLU 37 N -1.02 -4.43 -0.33 -1.09 1.02 -1.24 -4.89 120.64 108.67 1wh4 n GLU 37 Ca -0.12 0.65 0.16 0.00 -0.02 0.00 0.00 57.16 57.84 1wh4 n GLU 37 Cb 0.58 -5.46 0.40 0.00 -0.02 0.00 0.00 31.44 26.94 1wh4 n GLU 37 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1wh4 h GLY 38 N -1.37 1.55 0.88 0.62 0.00 -0.65 0.46 103.07 104.56 1wh4 h GLY 38 Ca -0.49 -0.30 -0.06 0.00 0.00 0.00 0.00 47.33 46.48 1wh4 h GLY 38 CO 0.57 -0.09 -0.05 0.11 0.00 0.00 0.00 176.54 177.08 1wh4 h TRP 39 N 0.62 0.62 -0.65 5.60 5.08 -1.39 -0.39 115.95 125.44 1wh4 h TRP 39 Ca 0.57 -0.13 0.03 0.00 1.08 0.00 0.00 58.89 60.44 1wh4 h TRP 39 Cb 1.10 -0.15 -0.04 0.00 -3.00 0.00 0.00 29.16 27.07 1wh4 h TRP 39 CO -0.00 0.74 0.40 0.87 -1.28 0.00 0.00 178.44 179.16 1wh4 h LYS 40 N 0.32 0.77 0.12 0.12 1.57 -1.49 0.43 116.57 118.42 1wh4 h LYS 40 Ca 0.08 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1wh4 h LYS 40 Cb 0.53 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1wh4 h LYS 40 CO 0.03 0.51 -0.12 0.87 -0.57 0.00 0.00 179.45 180.17 1wh4 h LYS 41 N 0.79 -0.26 0.16 3.15 1.57 -0.78 0.41 116.57 121.63 1wh4 h LYS 41 Ca 0.26 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1wh4 h LYS 41 Cb 0.01 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1wh4 h LYS 41 CO -0.10 -0.17 -0.14 1.25 -0.57 0.00 0.00 179.45 179.72 1wh4 h LEU 42 N -0.27 -0.35 -0.10 2.94 7.12 -0.83 -0.84 115.31 122.98 1wh4 h LEU 42 Ca 0.00 0.03 0.04 0.00 0.13 0.00 0.00 57.88 58.08 1wh4 h LEU 42 Cb 0.26 0.12 -0.04 0.00 -0.53 0.00 0.00 40.66 40.46 1wh4 h LEU 42 CO -0.03 -0.21 -0.16 0.00 -0.13 0.00 0.00 178.44 177.90 1wh4 h ALA 43 N 0.50 -0.11 0.00 1.25 0.00 -0.65 -1.97 119.26 118.28 1wh4 h ALA 43 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1wh4 h ALA 43 Cb 0.29 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1wh4 h ALA 43 CO -0.02 -0.63 0.00 -0.24 0.00 0.00 0.00 179.25 178.37 1wh4 h VAL 44 N -0.22 0.00 -0.11 0.00 3.04 -0.87 -3.06 116.25 115.03 1wh4 h VAL 44 Ca 0.09 -0.59 -0.14 0.00 -1.01 0.00 0.00 66.70 65.04 1wh4 h VAL 44 Cb 0.34 1.56 0.01 0.00 -2.01 0.00 0.00 31.29 31.19 1wh4 h VAL 44 CO -0.23 0.00 -0.46 0.00 -1.01 0.00 0.00 177.57 175.87 1wh4 h ALA 45 N 2.06 0.21 -2.20 3.17 0.00 -0.41 -3.44 119.26 118.64 1wh4 h ALA 45 Ca 0.00 -0.49 -0.55 0.00 0.00 0.00 0.00 54.91 53.87 1wh4 h ALA 45 Cb 0.62 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1wh4 h ALA 45 CO 0.00 0.36 1.17 0.42 0.00 0.00 0.00 179.25 181.20 1wh4 s ILE 46 N -3.74 3.42 0.32 0.00 1.01 -0.91 -5.01 121.20 116.29 1wh4 s ILE 46 Ca -0.13 0.50 0.07 0.00 0.00 0.00 0.00 60.65 61.09 1wh4 s ILE 46 Cb 0.06 -3.37 -0.02 0.00 0.01 0.00 0.00 42.46 39.14 1wh4 s ILE 46 CO 0.82 -0.10 0.38 -0.54 0.00 0.00 0.00 174.94 175.51 1wh4 s LYS 47 N 4.51 3.03 0.96 2.79 -0.14 -1.26 -3.78 119.74 125.85 1wh4 s LYS 47 Ca 0.79 -1.06 -0.12 0.00 -1.36 0.00 0.00 55.97 54.22 1wh4 s LYS 47 Cb -0.33 -2.71 0.17 0.00 -1.68 0.00 0.00 37.83 33.27 1wh4 s LYS 47 CO 0.33 0.15 1.09 0.15 -0.76 0.00 0.00 175.35 176.30 1wh4 s LYS 48 N -4.07 0.73 0.00 1.68 1.02 0.11 -4.76 119.74 114.44 1wh4 s LYS 48 Ca 0.41 0.81 0.10 0.00 0.02 0.00 0.00 55.97 57.31 1wh4 s LYS 48 Cb -0.08 -1.75 0.51 0.00 -0.52 0.00 0.00 37.83 35.99 1wh4 s LYS 48 CO 0.29 -2.60 1.17 -2.30 -0.92 0.00 0.00 175.35 170.99 1wh4 n PRO 49 N -4.13 0.17 -0.22 -1.68 -0.02 -1.26 -1.22 135.00 126.64 1wh4 n PRO 49 Ca 0.06 0.16 0.08 0.00 -2.02 0.00 0.00 63.50 61.78 1wh4 n PRO 49 Cb 0.55 -1.50 0.13 0.00 -0.02 0.00 0.00 33.50 32.67 1wh4 n PRO 49 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1wh4 n SER 50 N -1.23 2.00 0.00 2.55 7.64 -1.26 -5.01 113.62 118.30 1wh4 n SER 50 Ca 0.05 -3.08 0.00 0.00 1.01 0.00 0.00 58.87 56.85 1wh4 n SER 50 Cb 0.07 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 1wh4 n SER 50 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh4 n GLY 51 N -1.21 2.85 3.71 0.23 0.00 -0.36 -5.03 105.19 105.39 1wh4 n GLY 51 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1wh4 n GLY 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wh4 s ASP 52 N -1.49 3.69 -0.67 1.61 1.11 -1.26 -4.36 116.67 115.31 1wh4 s ASP 52 Ca 0.00 2.12 -0.26 0.00 0.18 0.00 0.00 52.55 54.59 1wh4 s ASP 52 Cb 0.00 -2.56 -0.02 0.00 1.07 0.00 0.00 42.92 41.41 1wh4 s ASP 52 CO 0.00 -2.59 1.82 -1.81 1.18 0.00 0.00 175.17 173.77 1wh4 s ASP 53 N -2.71 5.34 0.35 0.27 1.01 -1.26 0.05 116.67 119.72 1wh4 s ASP 53 Ca 0.67 0.12 0.16 0.00 0.71 0.00 0.00 52.55 54.21 1wh4 s ASP 53 Cb -0.23 -2.54 1.17 0.00 1.01 0.00 0.00 42.92 42.34 1wh4 s ASP 53 CO 0.54 -2.37 1.64 0.03 0.21 0.00 0.00 175.17 175.21 1wh4 h ARG 54 N 14.04 0.22 -2.24 8.23 3.08 -1.86 -3.31 114.38 132.53 1wh4 h ARG 54 Ca -0.21 -0.01 -0.53 0.00 0.07 0.00 0.00 59.98 59.30 1wh4 h ARG 54 Cb 1.13 -0.05 -0.36 0.00 0.08 0.00 0.00 29.97 30.78 1wh4 h ARG 54 CO 1.23 0.14 -0.88 0.71 -1.07 0.00 0.00 179.97 180.09 1wh4 s TYR 55 N -5.62 0.64 1.11 3.04 2.02 -1.26 -5.04 117.35 112.23 1wh4 s TYR 55 Ca -0.10 -1.90 -0.19 0.00 -0.37 0.00 0.00 57.07 54.52 1wh4 s TYR 55 Cb 0.31 -0.75 0.27 0.00 -0.40 0.00 0.00 41.96 41.40 1wh4 s TYR 55 CO 0.79 -0.88 0.98 0.09 -1.57 0.00 0.00 175.55 174.95 1wh4 n ASN 56 N 3.20 -2.00 -0.33 2.29 3.02 -1.25 -4.61 115.26 115.58 1wh4 n ASN 56 Ca 0.24 -1.10 0.18 0.00 -0.03 0.00 0.00 54.58 53.87 1wh4 n ASN 56 Cb 0.46 -0.90 0.41 0.00 -0.61 0.00 0.00 39.78 39.15 1wh4 n ASN 56 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1wh4 h GLN 57 N 0.00 0.55 -0.64 3.52 4.20 -1.98 -0.11 115.11 120.66 1wh4 h GLN 57 Ca -0.37 -0.03 0.19 0.00 0.06 0.00 0.00 58.65 58.49 1wh4 h GLN 57 Cb 1.13 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.76 1wh4 h GLN 57 CO 0.24 0.36 0.48 0.35 -0.67 0.00 0.00 178.83 179.59 1wh4 h PHE 58 N 0.57 0.00 0.04 2.96 3.57 -2.00 0.75 116.94 122.83 1wh4 h PHE 58 Ca 0.60 0.00 -0.38 0.00 3.53 0.00 0.00 57.97 61.72 1wh4 h PHE 58 Cb 1.21 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.90 1wh4 h PHE 58 CO -0.00 0.00 -2.29 0.72 -2.23 0.00 0.00 178.31 174.50 1wh4 n HIS 59 N -4.26 0.43 -0.26 0.41 8.25 -0.11 -4.08 115.22 115.60 1wh4 n HIS 59 Ca 0.12 0.10 0.03 0.00 -0.26 0.00 0.00 57.72 57.71 1wh4 n HIS 59 Cb 0.73 -1.06 0.16 0.00 1.12 0.00 0.00 29.99 30.94 1wh4 n HIS 59 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1wh4 h ILE 60 N 0.02 0.82 -0.26 1.59 1.08 -0.71 -0.58 117.51 119.47 1wh4 h ILE 60 Ca -0.52 -0.21 -0.08 0.00 -0.39 0.00 0.00 64.86 63.66 1wh4 h ILE 60 Cb 1.97 0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 35.85 1wh4 h ILE 60 CO -0.02 0.11 -0.17 0.03 -0.69 0.00 0.00 178.15 177.41 1wh4 h ARG 61 N 0.62 0.46 0.16 2.37 2.47 -1.10 0.15 114.38 119.51 1wh4 h ARG 61 Ca 0.39 -0.14 0.00 0.00 -1.26 0.00 0.00 59.98 58.96 1wh4 h ARG 61 Cb 0.44 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.71 1wh4 h ARG 61 CO -0.29 0.62 -0.14 -0.09 0.56 0.00 0.00 179.97 180.62 1wh4 h ARG 62 N 0.42 -0.31 -0.96 0.04 9.65 -1.43 -1.20 114.38 120.58 1wh4 h ARG 62 Ca 0.07 0.02 0.04 0.00 -1.10 0.00 0.00 59.98 59.02 1wh4 h ARG 62 Cb 0.54 0.07 -0.06 0.00 -1.39 0.00 0.00 29.97 29.14 1wh4 h ARG 62 CO 0.04 -0.21 0.62 0.74 2.80 0.00 0.00 179.97 183.96 1wh4 h PHE 63 N -0.32 1.16 -0.72 2.20 0.04 -0.32 -1.40 116.94 117.57 1wh4 h PHE 63 Ca 0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1wh4 h PHE 63 Cb 0.30 -0.39 -0.04 0.00 2.20 0.00 0.00 35.95 38.03 1wh4 h PHE 63 CO -0.13 0.65 0.47 0.93 -0.60 0.00 0.00 178.31 179.63 1wh4 h GLU 64 N 1.18 0.96 0.00 1.51 5.08 -0.62 -1.72 114.58 120.97 1wh4 h GLU 64 Ca 0.39 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1wh4 h GLU 64 Cb 0.05 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 1wh4 h GLU 64 CO -0.14 0.65 -0.00 0.00 -1.00 0.00 0.00 179.01 178.52 1wh4 h ALA 65 N 1.25 1.01 0.35 3.43 0.00 -0.10 0.74 119.26 125.94 1wh4 h ALA 65 Ca 0.26 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1wh4 h ALA 65 Cb -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1wh4 h ALA 65 CO -0.05 0.00 -0.17 -0.07 0.00 0.00 0.00 179.25 178.96 1wh4 h LEU 66 N 0.00 -0.40 -1.67 0.00 3.38 -1.01 -3.30 115.31 112.32 1wh4 h LEU 66 Ca -0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1wh4 h LEU 66 Cb 0.07 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1wh4 h LEU 66 CO 0.00 -0.00 0.13 0.17 0.09 0.00 0.00 178.44 178.83 1wh4 h LEU 67 N -1.03 0.31 -0.75 1.67 8.10 -0.94 0.11 115.31 122.77 1wh4 h LEU 67 Ca -0.05 -0.02 0.00 0.00 0.11 0.00 0.00 57.88 57.93 1wh4 h LEU 67 Cb 0.36 -0.08 0.00 0.00 -0.44 0.00 0.00 40.66 40.50 1wh4 h LEU 67 CO 0.08 0.26 0.00 0.00 -4.11 0.00 0.00 178.44 174.67 1wh4 n GLN 68 N -4.46 0.20 -0.00 0.17 6.02 0.16 -2.96 117.38 116.51 1wh4 n GLN 68 Ca 0.01 0.44 0.04 0.00 -0.01 0.00 0.00 57.00 57.47 1wh4 n GLN 68 Cb 0.10 -1.89 -0.06 0.00 1.02 0.00 0.00 30.24 29.42 1wh4 n GLN 68 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1wh4 n THR 69 N -2.26 0.00 0.00 5.09 -2.24 0.07 -5.04 114.28 109.90 1wh4 n THR 69 Ca 0.02 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1wh4 n THR 69 Cb 0.22 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 1wh4 n THR 69 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wh4 n GLY 70 N 2.03 3.54 3.70 3.38 0.00 0.14 -5.11 105.19 112.88 1wh4 n GLY 70 Ca -0.01 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.86 1wh4 n GLY 70 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wh4 n LYS 71 N 0.00 2.30 -2.45 1.61 5.02 -0.88 -4.71 118.16 119.05 1wh4 n LYS 71 Ca 0.00 0.82 -0.43 0.00 -2.02 0.00 0.00 58.31 56.68 1wh4 n LYS 71 Cb 0.00 -2.51 -0.02 0.00 -0.02 0.00 0.00 35.03 32.48 1wh4 n LYS 71 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1wh4 s SER 72 N 0.28 6.63 0.41 4.39 0.15 -1.26 -2.40 113.70 121.90 1wh4 s SER 72 Ca 0.65 1.05 0.12 0.00 0.70 0.00 0.00 55.95 58.47 1wh4 s SER 72 Cb -0.58 -2.54 0.86 0.00 -1.71 0.00 0.00 66.02 62.05 1wh4 s SER 72 CO 0.51 -1.14 1.92 1.55 1.20 0.00 0.00 173.24 177.28 1wh4 h PRO 73 N 9.42 0.07 -0.05 5.44 0.13 -1.90 -2.74 132.00 142.37 1wh4 h PRO 73 Ca -0.26 -0.02 0.04 0.00 -0.87 0.00 0.00 66.00 64.89 1wh4 h PRO 73 Cb 1.09 -0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.17 1wh4 h PRO 73 CO 1.05 0.29 -0.22 1.15 -0.23 0.00 0.00 178.00 180.04 1wh4 h THR 74 N 0.06 0.47 0.14 1.56 2.02 -1.91 0.12 112.91 115.37 1wh4 h THR 74 Ca 0.01 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.20 1wh4 h THR 74 Cb 0.43 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1wh4 h THR 74 CO 0.03 0.00 -0.18 0.00 0.37 0.00 0.00 175.52 175.74 1wh4 h GLU 76 N -0.37 -0.03 0.00 0.00 4.39 -1.34 -1.08 114.58 116.15 1wh4 h GLU 76 Ca 0.01 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.74 1wh4 h GLU 76 Cb 0.37 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 1wh4 h GLU 76 CO -0.07 0.03 -0.12 1.25 -1.16 0.00 0.00 179.01 178.94 1wh4 h LEU 77 N -0.09 -0.34 -0.76 1.33 5.85 -0.62 0.15 115.31 120.84 1wh4 h LEU 77 Ca -0.00 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.80 1wh4 h LEU 77 Cb 0.08 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 1wh4 h LEU 77 CO 0.01 -0.17 0.48 -0.07 -0.34 0.00 0.00 178.44 178.35 1wh4 h LEU 78 N -0.20 0.79 -0.41 2.25 3.38 -0.96 0.12 115.31 120.27 1wh4 h LEU 78 Ca 0.04 -0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.83 1wh4 h LEU 78 Cb 0.25 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1wh4 h LEU 78 CO -0.12 0.55 -0.69 0.15 0.09 0.00 0.00 178.44 178.42 1wh4 h PHE 79 N 0.94 0.61 -0.26 1.13 3.57 -0.69 0.02 116.94 122.26 1wh4 h PHE 79 Ca 0.30 -0.26 -0.08 0.00 3.53 0.00 0.00 57.97 61.47 1wh4 h PHE 79 Cb 0.01 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1wh4 h PHE 79 CO -0.03 1.01 -0.13 0.22 -2.23 0.00 0.00 178.31 177.15 1wh4 h ASP 80 N 0.32 0.57 -0.69 0.41 1.82 -0.52 -2.74 116.42 115.59 1wh4 h ASP 80 Ca -0.02 -0.41 -0.01 0.00 -0.39 0.00 0.00 57.03 56.19 1wh4 h ASP 80 Cb 1.26 -0.16 -0.03 0.00 0.68 0.00 0.00 39.33 41.08 1wh4 h ASP 80 CO 0.12 0.86 0.39 -0.25 -1.61 0.00 0.00 179.24 178.75 1wh4 h TRP 81 N 0.28 0.95 0.00 0.28 7.01 -0.74 -1.63 115.95 122.10 1wh4 h TRP 81 Ca 0.06 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.04 1wh4 h TRP 81 Cb 0.64 -0.31 0.00 0.00 -2.10 0.00 0.00 29.16 27.40 1wh4 h TRP 81 CO 0.06 0.66 0.00 0.41 -2.79 0.00 0.00 178.44 176.78 1wh4 n GLY 82 N -1.22 -0.64 1.03 2.65 0.00 -0.01 -0.58 105.19 106.41 1wh4 n GLY 82 Ca 0.07 0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.25 1wh4 n GLY 82 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1wh4 n THR 83 N -1.68 0.24 -0.32 2.61 5.66 -0.62 -4.34 114.28 115.84 1wh4 n THR 83 Ca 0.00 -0.62 0.10 0.00 -3.05 0.00 0.00 64.05 60.48 1wh4 n THR 83 Cb 0.03 1.25 0.28 0.00 -1.55 0.00 0.00 70.33 70.34 1wh4 n THR 83 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1wh4 n THR 84 N 1.39 1.00 -0.99 1.09 -1.04 0.25 -4.98 114.28 111.00 1wh4 n THR 84 Ca 0.16 -1.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.17 1wh4 n THR 84 Cb 0.59 0.50 0.00 0.00 -1.82 0.00 0.00 70.33 69.60 1wh4 n THR 84 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1wh4 n ASN 85 N 1.34 -1.90 -4.79 8.00 3.02 -1.23 -5.04 115.26 114.66 1wh4 n ASN 85 Ca 0.21 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.46 1wh4 n ASN 85 Cb 0.57 -0.45 0.10 0.00 -0.61 0.00 0.00 39.78 39.39 1wh4 n ASN 85 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wh4 s THR 87 N -3.14 1.19 0.41 0.00 -4.23 -1.26 -3.75 115.64 104.87 1wh4 s THR 87 Ca 0.61 -2.06 0.19 0.00 -1.18 0.00 0.00 61.69 59.25 1wh4 s THR 87 Cb -0.15 -2.33 0.39 0.00 1.34 0.00 0.00 72.50 71.75 1wh4 s THR 87 CO 0.54 -0.35 1.81 0.58 -0.54 0.00 0.00 174.62 176.67 1wh4 h VAL 88 N 2.45 0.59 -0.49 2.29 2.07 0.45 0.70 116.25 124.32 1wh4 h VAL 88 Ca -0.39 -0.13 -0.11 0.00 0.82 0.00 0.00 66.70 66.89 1wh4 h VAL 88 Cb 1.22 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1wh4 h VAL 88 CO 0.65 0.07 -0.13 1.23 0.02 0.00 0.00 177.57 179.41 1wh4 h GLY 89 N 0.39 1.04 0.74 2.17 0.00 -0.98 -0.03 103.07 106.40 1wh4 h GLY 89 Ca 0.53 -0.87 0.03 0.00 0.00 0.00 0.00 47.33 47.02 1wh4 h GLY 89 CO -0.22 0.79 -0.02 -0.55 0.00 0.00 0.00 176.54 176.54 1wh4 h ASP 90 N 0.82 -0.10 0.49 0.19 5.19 -1.15 -1.68 116.42 120.18 1wh4 h ASP 90 Ca 0.12 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.56 1wh4 h ASP 90 Cb 0.70 0.08 -0.02 0.00 0.18 0.00 0.00 39.33 40.26 1wh4 h ASP 90 CO 0.05 -0.03 -0.50 0.25 -3.12 0.00 0.00 179.24 175.89 1wh4 h LEU 91 N 0.02 -1.37 -0.52 1.55 5.85 -1.02 -2.18 115.31 117.64 1wh4 h LEU 91 Ca 0.07 0.11 0.10 0.00 0.84 0.00 0.00 57.88 59.00 1wh4 h LEU 91 Cb 0.09 0.45 -0.10 0.00 0.37 0.00 0.00 40.66 41.48 1wh4 h LEU 91 CO -0.13 -0.66 -0.14 0.58 -0.34 0.00 0.00 178.44 177.75 1wh4 h VAL 92 N -0.99 0.47 0.27 1.05 2.07 -0.93 0.16 116.25 118.34 1wh4 h VAL 92 Ca -0.06 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.47 1wh4 h VAL 92 Cb 0.87 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1wh4 h VAL 92 CO -0.07 0.00 -0.38 0.44 0.02 0.00 0.00 177.57 177.58 1wh4 h ASP 93 N -0.01 -1.07 -0.72 0.57 5.19 -1.10 0.43 116.42 119.71 1wh4 h ASP 93 Ca 0.25 0.10 -0.04 0.00 -0.62 0.00 0.00 57.03 56.72 1wh4 h ASP 93 Cb 0.39 0.38 -0.03 0.00 0.18 0.00 0.00 39.33 40.24 1wh4 h ASP 93 CO -0.54 -0.50 0.28 -0.07 -3.12 0.00 0.00 179.24 175.29 1wh4 h LEU 94 N -0.71 1.00 -0.64 1.55 3.38 -1.11 -2.07 115.31 116.71 1wh4 h LEU 94 Ca -0.01 -0.18 0.08 0.00 0.09 0.00 0.00 57.88 57.87 1wh4 h LEU 94 Cb 0.67 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 1wh4 h LEU 94 CO -0.13 0.90 0.31 -0.07 0.09 0.00 0.00 178.44 179.54 1wh4 h LEU 95 N 1.03 0.41 -1.39 1.67 3.38 -0.15 -0.86 115.31 119.40 1wh4 h LEU 95 Ca 0.24 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.21 1wh4 h LEU 95 Cb 0.22 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1wh4 h LEU 95 CO -0.02 0.25 -0.19 0.58 0.09 0.00 0.00 178.44 179.15 1wh4 h VAL 96 N 0.56 1.19 0.00 1.22 2.07 -0.53 -0.04 116.25 120.71 1wh4 h VAL 96 Ca 0.31 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1wh4 h VAL 96 Cb 0.30 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1wh4 h VAL 96 CO -0.24 0.26 0.00 0.06 0.02 0.00 0.00 177.57 177.67 1wh4 h GLN 97 N 0.15 0.00 -0.30 1.57 3.07 -0.47 -3.00 115.11 116.13 1wh4 h GLN 97 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.77 1wh4 h GLN 97 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.99 1wh4 h GLN 97 CO 0.03 0.00 0.00 0.44 0.09 0.00 0.00 178.83 179.39 1wh4 n ILE 98 N -2.95 0.87 -0.88 1.86 -5.35 -0.89 -4.97 119.36 107.05 1wh4 n ILE 98 Ca -0.00 -0.94 0.00 0.00 -0.27 0.00 0.00 62.75 61.54 1wh4 n ILE 98 Cb 0.23 0.59 0.00 0.00 -1.74 0.00 0.00 39.64 38.72 1wh4 n ILE 98 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1wh4 n GLU 99 N 0.51 0.00 -2.18 6.28 4.07 -1.11 -4.96 120.64 123.24 1wh4 n GLU 99 Ca 0.11 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.80 1wh4 n GLU 99 Cb 0.40 -2.62 0.00 0.00 -0.06 0.00 0.00 31.44 29.16 1wh4 n GLU 99 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1wh4 n LEU 100 N 0.00 7.40 -0.08 4.31 7.99 -0.08 -4.74 117.00 131.80 1wh4 n LEU 100 Ca 0.00 -4.81 -0.13 0.00 -0.01 0.00 0.00 56.01 51.06 1wh4 n LEU 100 Cb 0.00 -1.40 -0.01 0.00 -0.11 0.00 0.00 43.42 41.90 1wh4 n LEU 100 CO 0.00 1.76 0.49 -0.26 -1.51 0.00 0.00 177.39 177.87 1wh4 h PHE 101 N 5.11 1.03 0.24 -1.77 0.04 -1.92 -2.90 116.94 116.77 1wh4 h PHE 101 Ca 0.55 -0.34 0.00 0.00 2.80 0.00 0.00 57.97 60.98 1wh4 h PHE 101 Cb 0.45 -0.20 -0.04 0.00 2.20 0.00 0.00 35.95 38.36 1wh4 h PHE 101 CO 1.43 1.15 -0.48 0.00 -0.60 0.00 0.00 178.31 179.81 1wh4 h ALA 102 N 0.79 -1.02 -0.47 2.45 0.00 -1.97 0.12 119.26 119.14 1wh4 h ALA 102 Ca 0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1wh4 h ALA 102 Cb 1.07 0.81 -0.02 0.00 0.00 0.00 0.00 17.79 19.64 1wh4 h ALA 102 CO 0.11 -1.11 0.11 -1.00 0.00 0.00 0.00 179.25 177.36 1wh4 h PRO 103 N -0.78 0.71 -0.41 0.00 0.13 -1.94 0.40 132.00 130.12 1wh4 h PRO 103 Ca -0.02 -0.13 0.05 0.00 -0.87 0.00 0.00 66.00 65.02 1wh4 h PRO 103 Cb 0.73 -0.11 -0.05 0.00 0.13 0.00 0.00 31.00 31.71 1wh4 h PRO 103 CO -0.19 0.65 0.15 0.00 -0.23 0.00 0.00 178.00 178.38 1wh4 h ALA 104 N 1.43 0.48 -0.30 -0.56 0.00 -1.32 -2.79 119.26 116.21 1wh4 h ALA 104 Ca 0.16 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 1wh4 h ALA 104 Cb 0.26 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1wh4 h ALA 104 CO -0.00 -0.24 -0.33 1.15 0.00 0.00 0.00 179.25 179.83 1wh4 h THR 105 N 0.31 1.28 -0.27 0.00 2.02 0.12 0.44 112.91 116.82 1wh4 h THR 105 Ca 0.19 -1.45 -0.01 0.00 0.77 0.00 0.00 66.41 65.90 1wh4 h THR 105 Cb 0.17 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 1wh4 h THR 105 CO -0.19 0.47 0.11 0.25 0.37 0.00 0.00 175.52 176.52 1wh4 h LEU 106 N 0.54 0.33 0.00 2.58 5.85 -0.71 -2.13 115.31 121.77 1wh4 h LEU 106 Ca 0.06 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1wh4 h LEU 106 Cb 0.82 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.77 1wh4 h LEU 106 CO 0.07 0.31 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.28 1wh4 h LEU 107 N 0.37 0.00 -6.72 2.25 3.38 -1.32 -3.45 115.31 109.81 1wh4 h LEU 107 Ca 0.09 -0.52 -0.59 0.00 0.09 0.00 0.00 57.88 56.96 1wh4 h LEU 107 Cb 0.08 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.44 1wh4 h LEU 107 CO -0.01 0.83 -0.81 -0.76 0.09 0.00 0.00 178.44 177.78 1wh4 s LEU 108 N -8.32 1.55 0.17 1.67 1.02 0.13 -3.82 118.68 111.08 1wh4 s LEU 108 Ca -0.12 -2.32 0.24 0.00 0.02 0.00 0.00 54.13 51.95 1wh4 s LEU 108 Cb -0.01 -0.61 0.90 0.00 0.02 0.00 0.00 46.19 46.50 1wh4 s LEU 108 CO 0.39 -0.30 1.72 -0.81 0.02 0.00 0.00 176.35 177.37 1wh4 n PRO 109 N 3.90 0.16 0.04 1.29 -0.04 -0.82 -2.82 135.00 136.70 1wh4 n PRO 109 Ca 0.11 0.28 -0.13 0.00 -0.04 0.00 0.00 63.50 63.72 1wh4 n PRO 109 Cb 0.36 -1.75 -0.14 0.00 -0.04 0.00 0.00 33.50 31.94 1wh4 n PRO 109 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1wh4 h ASP 110 N 0.00 0.22 -0.01 3.54 3.32 -1.91 -3.38 116.42 118.21 1wh4 h ASP 110 Ca 0.00 -0.32 -0.05 0.00 0.02 0.00 0.00 57.03 56.68 1wh4 h ASP 110 Cb 0.47 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1wh4 h ASP 110 CO 0.00 1.27 -0.20 0.00 -1.72 0.00 0.00 179.24 178.59 1wh4 h ALA 111 N 0.70 0.03 -2.36 3.45 0.00 -1.90 -3.35 119.26 115.84 1wh4 h ALA 111 Ca -0.20 -0.45 -0.58 0.00 0.00 0.00 0.00 54.91 53.67 1wh4 h ALA 111 Cb 1.96 0.01 0.13 0.00 0.00 0.00 0.00 17.79 19.89 1wh4 h ALA 111 CO 0.14 0.05 0.17 1.55 0.00 0.00 0.00 179.25 181.16 1wh4 n VAL 112 N -4.55 2.33 -1.83 0.00 3.14 -1.26 -4.83 118.33 111.33 1wh4 n VAL 112 Ca -0.10 -0.50 -0.30 0.00 -2.96 0.00 0.00 64.34 60.48 1wh4 n VAL 112 Cb 0.47 -1.15 -0.07 0.00 -1.06 0.00 0.00 33.84 32.03 1wh4 n VAL 112 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1wh4 n PRO 113 N 0.27 1.43 0.10 1.45 -0.04 -1.26 -2.82 135.00 134.12 1wh4 n PRO 113 Ca 0.09 -2.27 0.00 0.00 -0.04 0.00 0.00 63.50 61.28 1wh4 n PRO 113 Cb 0.38 -3.58 0.00 0.00 -0.04 0.00 0.00 33.50 30.26 1wh4 n PRO 113 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1wh4 n GLN 114 N 8.04 0.00 -3.74 0.54 1.13 -1.26 -5.09 117.38 116.99 1wh4 n GLN 114 Ca 0.45 0.00 -0.33 0.00 -1.94 0.00 0.00 57.00 55.19 1wh4 n GLN 114 Cb 0.45 0.00 0.04 0.00 0.11 0.00 0.00 30.24 30.84 1wh4 n GLN 114 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1wh4 n THR 115 N -2.93 -5.33 -0.95 5.09 -1.04 -1.13 -4.94 114.28 103.05 1wh4 n THR 115 Ca 0.00 -0.89 -0.30 0.00 -2.04 0.00 0.00 64.05 60.82 1wh4 n THR 115 Cb 0.00 -4.01 0.17 0.00 -1.82 0.00 0.00 70.33 64.67 1wh4 n THR 115 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1wh4 s VAL 116 N -3.51 2.39 0.36 12.58 0.11 -1.26 -5.05 120.40 126.02 1wh4 s VAL 116 Ca 0.44 0.13 0.08 0.00 -2.93 0.00 0.00 61.98 59.70 1wh4 s VAL 116 Cb -0.17 -2.43 -0.04 0.00 -1.53 0.00 0.00 36.38 32.21 1wh4 s VAL 116 CO 0.87 -0.17 0.16 -1.59 -3.33 0.00 0.00 175.10 171.04 1wh4 s LYS 117 N -4.77 2.34 0.11 1.54 0.00 -1.26 -4.92 119.74 112.78 1wh4 s LYS 117 Ca 0.65 -1.61 -0.22 0.00 0.00 0.00 0.00 55.97 54.79 1wh4 s LYS 117 Cb -0.20 -2.14 0.08 0.00 0.00 0.00 0.00 37.83 35.57 1wh4 s LYS 117 CO 0.59 0.05 1.04 -1.13 0.00 0.00 0.00 175.35 175.90 1wh4 n SER 118 N -1.18 -1.47 -3.77 0.03 3.41 -1.26 -5.20 113.62 104.19 1wh4 n SER 118 Ca -0.02 -1.66 -0.13 0.00 -0.26 0.00 0.00 58.87 56.80 1wh4 n SER 118 Cb 0.62 2.37 -0.10 0.00 -0.26 0.00 0.00 64.21 66.84 1wh4 n SER 118 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 1wh4 s LEU 119 N 0.00 0.86 0.54 1.04 0.05 -1.26 -5.14 118.68 114.78 1wh4 s LEU 119 Ca 0.24 0.28 -0.17 0.00 0.05 0.00 0.00 54.13 54.53 1wh4 s LEU 119 Cb -0.02 1.17 -0.06 0.00 -2.05 0.00 0.00 46.19 45.23 1wh4 s LEU 119 CO 0.03 -0.32 1.02 -2.16 -0.55 0.00 0.00 176.35 174.38 1wh4 s PRO 120 N -0.76 3.67 0.14 1.48 0.04 -1.26 -4.40 135.00 133.91 1wh4 s PRO 120 Ca -0.09 1.11 -0.03 0.00 0.04 0.00 0.00 61.00 62.04 1wh4 s PRO 120 Cb -0.04 -2.09 -0.08 0.00 0.04 0.00 0.00 34.50 32.33 1wh4 s PRO 120 CO 0.03 -0.51 1.32 -1.00 0.04 0.00 0.00 177.00 176.87 1wh4 h PRO 121 N 0.81 0.35 -1.71 0.56 0.13 -1.95 -3.48 132.00 126.71 1wh4 h PRO 121 Ca -0.47 -0.39 -0.31 0.00 -0.87 0.00 0.00 66.00 63.96 1wh4 h PRO 121 Cb 1.20 0.11 -0.10 0.00 0.13 0.00 0.00 31.00 32.34 1wh4 h PRO 121 CO 0.59 1.07 -0.31 0.43 -0.23 0.00 0.00 178.00 179.56 1wh4 n SER 122 N -3.72 -4.14 -3.26 1.44 7.64 -1.26 -4.90 113.62 105.42 1wh4 n SER 122 Ca -0.06 0.33 -0.20 0.00 1.01 0.00 0.00 58.87 59.95 1wh4 n SER 122 Cb 0.83 -3.73 -0.07 0.00 -1.01 0.00 0.00 64.21 60.23 1wh4 n SER 122 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wh4 s GLY 123 N -2.25 0.36 -0.01 0.23 0.00 -1.26 -5.03 107.32 99.37 1wh4 s GLY 123 Ca 0.00 -1.63 -0.23 0.00 0.00 0.00 0.00 44.72 42.86 1wh4 s GLY 123 CO 0.00 2.59 1.06 -0.56 0.00 0.00 0.00 173.10 176.19 1wh4 h PRO 124 N 5.95 -0.46 0.00 2.90 0.13 -2.05 -3.50 132.00 134.98 1wh4 h PRO 124 Ca 0.16 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1wh4 h PRO 124 Cb 0.99 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1wh4 h PRO 124 CO 0.24 -0.14 0.00 -1.13 -0.23 0.00 0.00 178.00 176.75 1wh4 n SER 125 N -5.13 0.00 -1.28 1.44 3.41 -1.26 -5.18 113.62 105.61 1wh4 n SER 125 Ca -0.09 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.69 1wh4 n SER 125 Cb 0.27 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.18 1wh4 n SER 125 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wh4 n SER 126 N 0.00 -7.61 0.00 4.04 7.64 -1.26 -5.27 113.62 111.15 1wh4 n SER 126 Ca 0.00 1.36 0.00 0.00 1.01 0.00 0.00 58.87 61.24 1wh4 n SER 126 Cb 0.00 -3.83 0.00 0.00 -1.01 0.00 0.00 64.21 59.37 1wh4 n SER 126 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64