#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wpk s LYS 2 N 0.00 0.25 -0.21 0.03 2.20 -1.26 -5.13 119.74 115.63 1wpk s LYS 2 Ca 0.00 -0.08 -0.22 0.00 -0.36 0.00 0.00 55.97 55.31 1wpk s LYS 2 Cb 0.00 -0.96 -0.02 0.00 -1.51 0.00 0.00 37.83 35.34 1wpk s LYS 2 CO 0.00 -0.89 0.71 0.15 -0.36 0.00 0.00 175.35 174.96 1wpk s LYS 3 N 2.30 4.21 -0.63 4.03 1.02 -1.26 -4.99 119.74 124.42 1wpk s LYS 3 Ca 0.08 0.75 -0.26 0.00 0.02 0.00 0.00 55.97 56.56 1wpk s LYS 3 Cb -0.15 -3.60 -0.02 0.00 -0.52 0.00 0.00 37.83 33.55 1wpk s LYS 3 CO -0.26 -0.33 1.80 0.00 -0.92 0.00 0.00 175.35 175.65 1wpk s ALA 4 N 2.21 2.22 -0.06 5.17 0.00 -1.26 -4.92 121.76 125.11 1wpk s ALA 4 Ca 0.31 -0.75 -0.21 0.00 0.00 0.00 0.00 51.96 51.32 1wpk s ALA 4 Cb -0.16 -4.31 0.04 0.00 0.00 0.00 0.00 23.12 18.70 1wpk s ALA 4 CO 0.10 -3.86 0.48 0.95 0.00 0.00 0.00 175.76 173.43 1wpk s THR 5 N 8.76 0.03 0.52 0.00 -4.23 -1.24 -4.32 115.64 115.15 1wpk s THR 5 Ca 0.64 -0.21 -0.09 0.00 -1.18 0.00 0.00 61.69 60.85 1wpk s THR 5 Cb -0.12 -0.77 0.13 0.00 1.34 0.00 0.00 72.50 73.08 1wpk s THR 5 CO 0.20 -0.12 0.39 0.00 -0.54 0.00 0.00 174.62 174.55 1wpk n LEU 7 N 0.00 0.30 -3.88 0.00 7.99 -1.26 -4.92 117.00 115.23 1wpk n LEU 7 Ca 0.06 0.38 -0.08 0.00 -0.01 0.00 0.00 56.01 56.35 1wpk n LEU 7 Cb 0.23 -0.39 -0.02 0.00 -0.11 0.00 0.00 43.42 43.13 1wpk n LEU 7 CO 0.16 -0.01 0.42 0.28 -1.51 0.00 0.00 177.39 176.73 1wpk s THR 8 N -3.03 0.00 0.21 -5.08 -1.32 -1.26 -5.04 115.64 100.13 1wpk s THR 8 Ca 0.12 -1.09 0.01 0.00 -1.21 0.00 0.00 61.69 59.52 1wpk s THR 8 Cb 0.17 -2.21 -0.05 0.00 -1.51 0.00 0.00 72.50 68.90 1wpk s THR 8 CO 0.60 0.00 1.53 -0.78 -2.21 0.00 0.00 174.62 173.75 1wpk h ASP 9 N 2.05 0.42 -0.18 8.08 1.82 -2.00 -2.86 116.42 123.75 1wpk h ASP 9 Ca -0.23 -0.24 -0.13 0.00 -0.39 0.00 0.00 57.03 56.05 1wpk h ASP 9 Cb 1.25 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.14 1wpk h ASP 9 CO 0.29 0.92 -0.38 0.44 -1.61 0.00 0.00 179.24 178.90 1wpk h ASP 10 N 0.28 0.64 -0.37 2.28 3.32 -1.99 -2.67 116.42 117.92 1wpk h ASP 10 Ca -0.00 -0.56 0.01 0.00 0.02 0.00 0.00 57.03 56.50 1wpk h ASP 10 Cb 1.12 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.46 1wpk h ASP 10 CO 0.10 1.08 0.22 -0.61 -1.72 0.00 0.00 179.24 178.31 1wpk h GLN 11 N 0.23 0.43 -0.27 3.56 5.75 -1.96 -2.55 115.11 120.30 1wpk h GLN 11 Ca 0.00 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1wpk h GLN 11 Cb 0.98 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.42 1wpk h GLN 11 CO 0.08 0.29 0.16 0.07 -2.65 0.00 0.00 178.83 176.79 1wpk h ARG 12 N 0.45 0.37 -0.20 1.69 0.11 -1.55 -1.77 114.38 113.48 1wpk h ARG 12 Ca 0.14 -0.03 0.06 0.00 0.10 0.00 0.00 59.98 60.25 1wpk h ARG 12 Cb -0.01 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 30.99 1wpk h ARG 12 CO -0.06 0.29 0.29 2.35 0.10 0.00 0.00 179.97 182.94 1wpk h TRP 13 N 0.35 0.00 0.33 4.08 -0.00 -1.20 -2.16 115.95 117.36 1wpk h TRP 13 Ca 0.10 0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 58.97 1wpk h TRP 13 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.18 1wpk h TRP 13 CO -0.04 0.00 -0.16 1.96 -0.00 0.00 0.00 178.44 180.20 1wpk h GLN 14 N 0.00 -0.43 -0.71 2.65 1.08 -0.91 -2.62 115.11 114.17 1wpk h GLN 14 Ca 0.09 0.03 0.16 0.00 -1.45 0.00 0.00 58.65 57.48 1wpk h GLN 14 Cb 0.67 0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 28.15 1wpk h GLN 14 CO -0.00 -0.12 0.48 0.77 -0.95 0.00 0.00 178.83 179.01 1wpk h SER 15 N -0.77 0.27 -0.03 1.46 0.02 -1.41 0.54 113.55 113.64 1wpk h SER 15 Ca -0.05 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1wpk h SER 15 Cb 0.51 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 1wpk h SER 15 CO 0.08 0.14 0.01 0.58 -1.14 0.00 0.00 176.83 176.49 1wpk h VAL 16 N 0.28 1.16 -0.10 2.27 2.07 -1.41 -1.91 116.25 118.62 1wpk h VAL 16 Ca 0.35 -0.48 -0.16 0.00 0.82 0.00 0.00 66.70 67.22 1wpk h VAL 16 Cb 0.95 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 1wpk h VAL 16 CO -0.08 0.13 -0.64 -0.07 0.02 0.00 0.00 177.57 176.92 1wpk h LEU 17 N -0.15 0.44 -0.83 2.57 -0.00 -0.83 -2.86 115.31 113.64 1wpk h LEU 17 Ca 0.01 -0.26 0.00 0.00 -0.00 0.00 0.00 57.88 57.63 1wpk h LEU 17 Cb 0.20 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 40.73 1wpk h LEU 17 CO -0.00 0.97 0.00 0.00 -0.00 0.00 0.00 178.44 179.40 1wpk n ALA 18 N -2.50 1.48 -4.12 1.53 0.00 0.18 -4.86 120.51 112.21 1wpk n ALA 18 Ca -0.03 0.11 -0.35 0.00 0.00 0.00 0.00 53.44 53.16 1wpk n ALA 18 Cb 0.65 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 1wpk n ALA 18 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1wpk n ARG 19 N -2.18 -3.07 -1.87 0.00 0.00 -0.73 -4.82 116.66 103.99 1wpk n ARG 19 Ca 0.01 0.36 -0.43 0.00 -0.00 0.00 0.00 57.85 57.80 1wpk n ARG 19 Cb 0.17 -5.09 -0.03 0.00 -0.00 0.00 0.00 32.46 27.51 1wpk n ARG 19 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1wpk s ASP 20 N -3.19 5.76 0.24 2.89 2.15 -1.23 -4.84 116.67 118.46 1wpk s ASP 20 Ca 0.71 1.52 0.20 0.00 0.43 0.00 0.00 52.55 55.41 1wpk s ASP 20 Cb -0.39 -2.52 0.95 0.00 -0.30 0.00 0.00 42.92 40.66 1wpk s ASP 20 CO 0.87 -1.78 1.62 -0.81 -0.17 0.00 0.00 175.17 174.91 1wpk n PRO 21 N 8.51 0.15 -1.26 4.34 -0.04 -1.26 -2.23 135.00 143.21 1wpk n PRO 21 Ca 0.25 0.49 -0.27 0.00 -0.04 0.00 0.00 63.50 63.93 1wpk n PRO 21 Cb 0.46 -1.85 0.15 0.00 -0.04 0.00 0.00 33.50 32.22 1wpk n PRO 21 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1wpk n ASN 22 N -2.14 5.03 -1.80 3.54 5.15 -1.26 -4.51 115.26 119.27 1wpk n ASN 22 Ca 0.01 -3.68 -0.11 0.00 -0.60 0.00 0.00 54.58 50.21 1wpk n ASN 22 Cb 0.14 -0.88 0.19 0.00 -0.53 0.00 0.00 39.78 38.70 1wpk n ASN 22 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wpk n ALA 23 N -1.07 4.41 -1.55 5.20 0.00 -0.95 -4.91 120.51 121.65 1wpk n ALA 23 Ca 0.60 -1.93 -0.19 0.00 0.00 0.00 0.00 53.44 51.93 1wpk n ALA 23 Cb 1.32 -1.26 -0.09 0.00 0.00 0.00 0.00 19.45 19.42 1wpk n ALA 23 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1wpk n ASP 24 N -0.35 1.36 0.00 0.00 9.92 -1.26 0.89 116.55 127.10 1wpk n ASP 24 Ca 0.37 -1.16 0.00 0.00 -0.53 0.00 0.00 54.79 53.47 1wpk n ASP 24 Cb 1.25 -1.47 0.00 0.00 -0.64 0.00 0.00 41.12 40.26 1wpk n ASP 24 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wpk n GLY 25 N 6.50 0.95 0.00 0.44 0.00 -1.26 -5.05 105.19 106.77 1wpk n GLY 25 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1wpk n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wpk n GLU 26 N 0.00 0.00 -3.63 1.61 4.71 0.26 -4.63 120.64 118.95 1wpk n GLU 26 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.10 1wpk n GLU 26 Cb 0.00 -0.73 -0.06 0.00 -1.01 0.00 0.00 31.44 29.64 1wpk n GLU 26 CO 0.00 0.00 0.00 -0.59 0.09 0.00 0.00 177.13 176.63 1wpk s PHE 27 N -0.53 -0.21 -0.07 -0.32 -0.12 -1.19 -3.69 117.98 111.86 1wpk s PHE 27 Ca 0.00 0.46 -0.20 0.00 -0.05 0.00 0.00 56.93 57.15 1wpk s PHE 27 Cb 0.00 0.45 -0.04 0.00 -0.63 0.00 0.00 43.02 42.79 1wpk s PHE 27 CO 0.00 -0.12 0.54 0.08 -0.05 0.00 0.00 175.22 175.67 1wpk s VAL 28 N -0.26 5.09 -0.38 -2.49 1.01 0.34 -3.80 120.40 119.91 1wpk s VAL 28 Ca 0.05 1.11 -0.19 0.00 0.00 0.00 0.00 61.98 62.96 1wpk s VAL 28 Cb -0.04 -3.88 0.01 0.00 0.00 0.00 0.00 36.38 32.47 1wpk s VAL 28 CO -0.09 0.35 0.53 -0.36 0.00 0.00 0.00 175.10 175.53 1wpk s PHE 29 N 0.37 3.15 -0.19 5.22 0.08 -1.26 0.85 117.98 126.20 1wpk s PHE 29 Ca 0.29 0.06 -0.21 0.00 0.12 0.00 0.00 56.93 57.19 1wpk s PHE 29 Cb -0.16 -3.02 -0.02 0.00 -0.57 0.00 0.00 43.02 39.25 1wpk s PHE 29 CO 0.14 -0.63 0.66 0.00 -0.10 0.00 0.00 175.22 175.28 1wpk s ALA 30 N 2.46 3.54 -0.38 5.36 0.00 0.21 -4.08 121.76 128.87 1wpk s ALA 30 Ca 0.19 -0.23 -0.16 0.00 0.00 0.00 0.00 51.96 51.76 1wpk s ALA 30 Cb -0.15 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 19.97 1wpk s ALA 30 CO 0.15 -0.56 0.41 0.08 0.00 0.00 0.00 175.76 175.84 1wpk s VAL 31 N 1.92 5.11 0.15 0.00 1.01 0.33 -0.79 120.40 128.13 1wpk s VAL 31 Ca 0.30 -0.10 -0.05 0.00 0.00 0.00 0.00 61.98 62.13 1wpk s VAL 31 Cb -0.16 -3.94 -0.12 0.00 0.00 0.00 0.00 36.38 32.16 1wpk s VAL 31 CO 0.11 -0.26 1.39 -0.09 0.00 0.00 0.00 175.10 176.25 1wpk h ARG 32 N 8.59 0.52 0.87 2.72 1.12 -1.84 1.06 114.38 127.41 1wpk h ARG 32 Ca -0.28 -0.43 -0.04 0.00 -1.11 0.00 0.00 59.98 58.12 1wpk h ARG 32 Cb 1.13 0.09 0.01 0.00 -0.01 0.00 0.00 29.97 31.19 1wpk h ARG 32 CO 0.75 1.06 -0.43 1.79 -3.11 0.00 0.00 179.97 180.03 1wpk h THR 33 N 0.35 0.13 0.06 0.20 1.35 -1.92 -3.26 112.91 109.82 1wpk h THR 33 Ca -0.04 0.00 -0.27 0.00 -0.55 0.00 0.00 66.41 65.55 1wpk h THR 33 Cb 1.35 0.13 -0.02 0.00 -1.73 0.00 0.00 68.15 67.88 1wpk h THR 33 CO 0.14 0.00 -1.37 0.74 -0.25 0.00 0.00 175.52 174.77 1wpk h THR 34 N -1.18 1.30 -0.16 6.82 2.02 -1.97 -3.48 112.91 116.27 1wpk h THR 34 Ca -0.12 -2.99 0.00 0.00 0.77 0.00 0.00 66.41 64.07 1wpk h THR 34 Cb 0.91 2.75 0.00 0.00 -1.74 0.00 0.00 68.15 70.07 1wpk h THR 34 CO 0.19 0.82 0.00 0.61 0.37 0.00 0.00 175.52 177.51 1wpk n GLY 35 N 1.54 1.09 3.66 2.16 0.00 0.36 -4.93 105.19 109.07 1wpk n GLY 35 Ca -0.11 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 1wpk n GLY 35 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1wpk n ILE 36 N -2.19 0.00 -3.73 -0.61 -5.35 -0.83 0.97 119.36 107.62 1wpk n ILE 36 Ca 0.00 -2.35 -0.03 0.00 -0.27 0.00 0.00 62.75 60.09 1wpk n ILE 36 Cb 0.26 0.38 -0.01 0.00 -1.74 0.00 0.00 39.64 38.53 1wpk n ILE 36 CO 0.00 0.00 0.00 2.22 -1.76 0.00 0.00 176.55 177.01 1wpk n PHE 37 N -1.37 -0.59 -2.58 4.28 1.16 0.36 0.12 117.46 118.84 1wpk n PHE 37 Ca -0.17 -0.52 -0.22 0.00 -1.87 0.00 0.00 57.45 54.67 1wpk n PHE 37 Cb 0.64 0.11 0.05 0.00 -1.61 0.00 0.00 39.48 38.67 1wpk n PHE 37 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 1wpk s ARG 39 N -2.19 2.44 0.26 3.97 3.00 -1.18 -0.01 118.95 125.24 1wpk s ARG 39 Ca 0.07 -0.75 -0.02 0.00 0.00 0.00 0.00 55.73 55.03 1wpk s ARG 39 Cb -0.00 -2.44 0.56 0.00 0.00 0.00 0.00 34.95 33.07 1wpk s ARG 39 CO 0.05 -0.83 1.66 -1.35 0.00 0.00 0.00 175.30 174.82 1wpk h PRO 40 N -0.05 0.20 0.00 3.54 0.11 -1.75 -3.38 132.00 130.66 1wpk h PRO 40 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1wpk h PRO 40 Cb 1.30 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1wpk h PRO 40 CO 0.52 0.13 0.00 0.43 -0.21 0.00 0.00 178.00 178.87 1wpk n SER 41 N -5.23 0.00 -1.46 -2.05 7.64 -1.25 -3.14 113.62 108.13 1wpk n SER 41 Ca 0.17 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.16 1wpk n SER 41 Cb 0.56 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.70 1wpk n SER 41 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wpk n ARG 43 N -3.71 0.00 -0.41 0.00 -4.01 -1.26 -4.59 116.66 102.67 1wpk n ARG 43 Ca -0.06 -0.55 0.00 0.00 -1.04 0.00 0.00 57.85 56.20 1wpk n ARG 43 Cb 0.58 -0.09 0.00 0.00 -3.04 0.00 0.00 32.46 29.92 1wpk n ARG 43 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1wpk n ALA 44 N 0.03 0.00 -1.55 2.89 0.00 -1.26 -4.92 120.51 115.70 1wpk n ALA 44 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.07 1wpk n ALA 44 Cb 0.63 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.03 1wpk n ALA 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wpk n ARG 45 N -0.72 0.92 -2.03 0.00 1.74 -1.26 -4.80 116.66 110.52 1wpk n ARG 45 Ca 0.00 -0.10 -0.33 0.00 -0.77 0.00 0.00 57.85 56.65 1wpk n ARG 45 Cb 0.00 -3.35 0.03 0.00 -1.02 0.00 0.00 32.46 28.13 1wpk n ARG 45 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 1wpk n HIS 46 N 15.88 3.14 -1.44 -1.55 1.44 -1.26 -5.01 115.22 126.41 1wpk n HIS 46 Ca 0.40 -2.67 0.00 0.00 -2.01 0.00 0.00 57.72 53.44 1wpk n HIS 46 Cb 0.50 -0.77 0.00 0.00 0.12 0.00 0.00 29.99 29.84 1wpk n HIS 46 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1wpk n ALA 47 N -0.59 -1.89 -0.52 1.59 0.00 -1.26 -4.71 120.51 113.12 1wpk n ALA 47 Ca 0.49 0.42 -0.11 0.00 0.00 0.00 0.00 53.44 54.24 1wpk n ALA 47 Cb 0.51 -1.33 0.18 0.00 0.00 0.00 0.00 19.45 18.80 1wpk n ALA 47 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wpk n LEU 48 N -1.14 0.00 -3.03 0.00 4.77 -1.26 -4.66 117.00 111.68 1wpk n LEU 48 Ca 0.00 -0.53 -0.33 0.00 -0.03 0.00 0.00 56.01 55.12 1wpk n LEU 48 Cb 0.06 -0.63 -0.05 0.00 -2.33 0.00 0.00 43.42 40.47 1wpk n LEU 48 CO 0.00 -2.33 2.74 -1.14 -1.33 0.00 0.00 177.39 175.33 1wpk n ARG 49 N -3.88 3.45 0.00 3.23 0.63 -1.26 -3.47 116.66 115.36 1wpk n ARG 49 Ca 0.08 -2.21 0.00 0.00 -0.92 0.00 0.00 57.85 54.80 1wpk n ARG 49 Cb 0.36 -2.56 0.00 0.00 0.45 0.00 0.00 32.46 30.71 1wpk n ARG 49 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1wpk n GLU 50 N 2.83 0.00 -1.21 -0.14 0.28 -1.26 -4.96 120.64 116.18 1wpk n GLU 50 Ca 0.67 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 57.39 1wpk n GLU 50 Cb 0.39 0.00 0.12 0.00 1.43 0.00 0.00 31.44 33.38 1wpk n GLU 50 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1wpk n ASN 51 N -0.78 5.71 -4.25 -1.84 3.02 -1.23 -4.93 115.26 110.97 1wpk n ASN 51 Ca 0.00 -3.60 -0.25 0.00 -0.03 0.00 0.00 54.58 50.71 1wpk n ASN 51 Cb 0.00 -0.91 -0.14 0.00 -0.61 0.00 0.00 39.78 38.13 1wpk n ASN 51 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1wpk s VAL 52 N -3.80 1.63 0.07 2.41 0.11 -1.24 -3.39 120.40 116.18 1wpk s VAL 52 Ca 0.57 -1.26 0.08 0.00 -2.93 0.00 0.00 61.98 58.44 1wpk s VAL 52 Cb 0.46 -1.44 -0.03 0.00 -1.53 0.00 0.00 36.38 33.84 1wpk s VAL 52 CO 0.04 0.13 -0.22 -0.55 -3.33 0.00 0.00 175.10 171.18 1wpk s SER 53 N -1.34 2.61 0.03 3.54 0.15 0.03 -4.96 113.70 113.75 1wpk s SER 53 Ca 0.07 -0.59 -0.07 0.00 0.70 0.00 0.00 55.95 56.06 1wpk s SER 53 Cb -0.09 -0.20 -0.05 0.00 -1.71 0.00 0.00 66.02 63.98 1wpk s SER 53 CO 0.02 0.14 0.29 -0.36 1.20 0.00 0.00 173.24 174.53 1wpk s PHE 54 N -0.92 3.57 0.11 3.44 0.40 -1.26 0.68 117.98 124.00 1wpk s PHE 54 Ca 0.08 0.58 -0.05 0.00 -0.60 0.00 0.00 56.93 56.94 1wpk s PHE 54 Cb -0.09 -2.00 -0.02 0.00 0.51 0.00 0.00 43.02 41.41 1wpk s PHE 54 CO 0.03 0.59 0.13 0.71 0.70 0.00 0.00 175.22 177.37 1wpk s TYR 55 N -1.34 0.47 -0.18 0.36 2.02 0.25 -4.85 117.35 114.07 1wpk s TYR 55 Ca 0.29 -0.90 -0.11 0.00 -0.37 0.00 0.00 57.07 55.99 1wpk s TYR 55 Cb -0.13 -0.24 -0.21 0.00 -0.40 0.00 0.00 41.96 40.97 1wpk s TYR 55 CO 0.17 -0.54 0.16 0.00 -1.57 0.00 0.00 175.55 173.77 1wpk n ALA 56 N -0.06 0.97 -3.99 3.71 0.00 -1.26 0.13 120.51 120.00 1wpk n ALA 56 Ca -0.11 -0.69 -0.17 0.00 0.00 0.00 0.00 53.44 52.47 1wpk n ALA 56 Cb 0.62 -0.47 -0.05 0.00 0.00 0.00 0.00 19.45 19.55 1wpk n ALA 56 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1wpk n ASN 57 N -3.81 -0.72 0.01 0.00 6.94 -1.26 -4.26 115.26 112.16 1wpk n ASN 57 Ca -0.37 -2.75 -0.18 0.00 -0.02 0.00 0.00 54.58 51.26 1wpk n ASN 57 Cb 0.92 1.56 -0.10 0.00 -2.36 0.00 0.00 39.78 39.80 1wpk n ASN 57 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1wpk h ALA 58 N 1.89 0.12 -0.16 -2.53 0.00 -1.91 -2.93 119.26 113.74 1wpk h ALA 58 Ca -0.20 -0.61 0.04 0.00 0.00 0.00 0.00 54.91 54.14 1wpk h ALA 58 Cb 0.99 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1wpk h ALA 58 CO 0.29 0.51 0.11 0.77 0.00 0.00 0.00 179.25 180.93 1wpk h SER 59 N 0.16 0.02 0.05 0.00 0.02 -1.97 0.99 113.55 112.82 1wpk h SER 59 Ca -0.09 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1wpk h SER 59 Cb 1.45 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.99 1wpk h SER 59 CO 0.15 0.02 -0.03 -0.33 -1.14 0.00 0.00 176.83 175.50 1wpk h GLU 60 N 0.03 -0.07 -0.10 3.45 4.39 -1.97 -2.05 114.58 118.26 1wpk h GLU 60 Ca 0.07 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.62 1wpk h GLU 60 Cb 0.26 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1wpk h GLU 60 CO -0.00 0.55 -0.62 0.00 -1.16 0.00 0.00 179.01 177.77 1wpk h ALA 61 N -0.04 0.75 -0.19 3.43 0.00 -1.29 -2.95 119.26 118.97 1wpk h ALA 61 Ca -0.01 -0.55 -0.06 0.00 0.00 0.00 0.00 54.91 54.29 1wpk h ALA 61 Cb 0.65 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1wpk h ALA 61 CO 0.01 0.73 -0.11 1.25 0.00 0.00 0.00 179.25 181.14 1wpk h LEU 62 N 0.25 0.42 -1.44 0.00 6.46 0.91 -3.02 115.31 118.90 1wpk h LEU 62 Ca -0.01 -0.42 0.03 0.00 -0.12 0.00 0.00 57.88 57.36 1wpk h LEU 62 Cb 1.15 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.93 1wpk h LEU 62 CO 0.10 0.75 0.41 0.00 -0.62 0.00 0.00 178.44 179.08 1wpk h ALA 63 N 0.69 1.65 0.00 1.25 0.00 -1.39 -0.72 119.26 120.73 1wpk h ALA 63 Ca 0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1wpk h ALA 63 Cb 0.60 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1wpk h ALA 63 CO 0.03 0.29 -0.13 0.00 0.00 0.00 0.00 179.25 179.44 1wpk h ALA 64 N 1.64 1.48 0.00 0.00 0.00 -1.42 -3.46 119.26 117.50 1wpk h ALA 64 Ca 0.24 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1wpk h ALA 64 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1wpk h ALA 64 CO -0.06 0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.76 1wpk n GLY 65 N -0.90 0.82 3.00 0.00 0.00 -0.29 -5.12 105.19 102.70 1wpk n GLY 65 Ca -0.02 -0.23 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 1wpk n GLY 65 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wpk s PHE 66 N -0.01 0.50 0.53 1.61 0.40 -1.15 -4.92 117.98 114.93 1wpk s PHE 66 Ca 0.00 -0.33 -0.16 0.00 -0.60 0.00 0.00 56.93 55.84 1wpk s PHE 66 Cb 0.00 -0.31 -0.07 0.00 0.51 0.00 0.00 43.02 43.15 1wpk s PHE 66 CO 0.00 -0.06 1.00 1.03 0.70 0.00 0.00 175.22 177.88 1wpk s ARG 67 N -0.96 3.85 0.20 0.44 3.00 0.27 -4.31 118.95 121.44 1wpk s ARG 67 Ca -0.06 1.00 -0.15 0.00 0.00 0.00 0.00 55.73 56.52 1wpk s ARG 67 Cb -0.07 -2.12 -0.08 0.00 0.00 0.00 0.00 34.95 32.69 1wpk s ARG 67 CO 0.00 -0.36 0.62 -1.25 0.00 0.00 0.00 175.30 174.31 1wpk s PRO 68 N -4.07 4.02 -0.26 3.54 0.04 -1.26 0.13 135.00 137.14 1wpk s PRO 68 Ca 0.60 0.58 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1wpk s PRO 68 Cb -0.11 -2.81 0.08 0.00 0.04 0.00 0.00 34.50 31.70 1wpk s PRO 68 CO 0.32 0.39 0.01 0.00 0.04 0.00 0.00 177.00 177.77 1wpk n LYS 70 N 4.72 1.52 -1.01 0.00 2.85 -1.26 -3.13 118.16 121.86 1wpk n LYS 70 Ca -0.07 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.19 1wpk n LYS 70 Cb 0.44 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.82 1wpk n LYS 70 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1wpk n ARG 71 N -0.15 -0.81 -1.30 -1.58 3.00 -1.26 -4.84 116.66 109.71 1wpk n ARG 71 Ca 0.00 0.23 -0.01 0.00 -0.00 0.00 0.00 57.85 58.08 1wpk n ARG 71 Cb 0.00 -3.86 0.11 0.00 0.00 0.00 0.00 32.46 28.71 1wpk n ARG 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1wpk n GLN 73 N -0.60 -5.36 -1.84 0.00 1.13 -1.26 -3.67 117.38 105.78 1wpk n GLN 73 Ca 0.19 3.86 -0.29 0.00 -1.94 0.00 0.00 57.00 58.82 1wpk n GLN 73 Cb 0.87 -4.69 0.15 0.00 0.11 0.00 0.00 30.24 26.68 1wpk n GLN 73 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1wpk s PRO 74 N -0.59 1.03 -0.28 -1.09 0.04 -1.26 -4.31 135.00 128.54 1wpk s PRO 74 Ca 0.00 -0.15 0.01 0.00 0.04 0.00 0.00 61.00 60.90 1wpk s PRO 74 Cb 0.00 -1.87 0.16 0.00 0.04 0.00 0.00 34.50 32.83 1wpk s PRO 74 CO 0.00 -2.19 0.42 -2.00 0.04 0.00 0.00 177.00 173.27 1wpk s GLU 75 N -5.70 0.41 -0.11 4.56 -6.30 -1.26 -4.88 118.70 105.42 1wpk s GLU 75 Ca 0.69 0.32 -0.08 0.00 -2.50 0.00 0.00 54.97 53.40 1wpk s GLU 75 Cb -0.08 -0.29 0.03 0.00 0.00 0.00 0.00 34.13 33.80 1wpk s GLU 75 CO 0.52 -0.90 0.16 1.63 0.02 0.00 0.00 175.26 176.69 1wpk n LYS 76 N 5.36 -4.87 -1.27 4.30 4.76 -1.26 -4.87 118.16 120.31 1wpk n LYS 76 Ca -0.01 3.61 -0.05 0.00 -2.87 0.00 0.00 58.31 58.99 1wpk n LYS 76 Cb 0.50 -4.95 0.12 0.00 -1.84 0.00 0.00 35.03 28.86 1wpk n LYS 76 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wpk n ALA 77 N 1.79 3.96 -3.16 7.82 0.00 -1.26 -4.92 120.51 124.73 1wpk n ALA 77 Ca -0.27 -3.36 0.05 0.00 0.00 0.00 0.00 53.44 49.86 1wpk n ALA 77 Cb 0.41 -0.40 -0.02 0.00 0.00 0.00 0.00 19.45 19.45 1wpk n ALA 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wpk s ASN 78 N -3.29 -0.75 -0.51 0.00 2.20 -1.26 -5.12 114.94 106.21 1wpk s ASN 78 Ca 0.41 0.49 -0.23 0.00 -0.94 0.00 0.00 52.86 52.60 1wpk s ASN 78 Cb 0.38 1.64 0.04 0.00 -2.00 0.00 0.00 41.25 41.31 1wpk s ASN 78 CO -0.04 -0.14 0.84 0.00 -2.94 0.00 0.00 177.10 174.82 1wpk s ALA 79 N 2.90 3.24 -0.23 3.54 0.00 -1.26 -4.61 121.76 125.34 1wpk s ALA 79 Ca 0.05 -1.25 -0.08 0.00 0.00 0.00 0.00 51.96 50.68 1wpk s ALA 79 Cb -0.12 -3.60 0.03 0.00 0.00 0.00 0.00 23.12 19.44 1wpk s ALA 79 CO -0.14 -2.19 0.17 1.04 0.00 0.00 0.00 175.76 174.64 1wpk n GLN 80 N 7.03 -4.25 -3.44 0.00 6.02 -1.26 -5.08 117.38 116.41 1wpk n GLN 80 Ca 0.01 3.25 -0.12 0.00 -0.01 0.00 0.00 57.00 60.13 1wpk n GLN 80 Cb 0.47 -5.19 -0.03 0.00 1.02 0.00 0.00 30.24 26.51 1wpk n GLN 80 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1wpk n GLN 81 N 1.36 0.46 -2.31 -1.09 1.13 -1.26 -5.08 117.38 110.59 1wpk n GLN 81 Ca -0.28 -2.18 -0.02 0.00 -1.94 0.00 0.00 57.00 52.57 1wpk n GLN 81 Cb 0.44 2.00 -0.02 0.00 0.11 0.00 0.00 30.24 32.77 1wpk n GLN 81 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 1wpk n HIS 82 N -0.44 -4.21 0.08 1.08 -0.00 -1.26 -4.53 115.22 105.95 1wpk n HIS 82 Ca 0.02 2.48 -0.08 0.00 0.46 0.00 0.00 57.72 60.61 1wpk n HIS 82 Cb 0.44 -3.66 0.04 0.00 -0.12 0.00 0.00 29.99 26.69 1wpk n HIS 82 CO 0.00 0.00 0.00 0.07 0.46 0.00 0.00 176.34 176.87 1wpk h ARG 83 N 3.74 0.25 -0.12 1.57 0.11 -1.99 -2.23 114.38 115.71 1wpk h ARG 83 Ca -0.20 -0.22 -0.15 0.00 0.10 0.00 0.00 59.98 59.51 1wpk h ARG 83 Cb 0.45 0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.58 1wpk h ARG 83 CO 0.00 0.89 -0.57 1.25 0.10 0.00 0.00 179.97 181.65 1wpk h LEU 84 N 0.16 0.41 -0.27 0.08 7.12 -1.96 -2.43 115.31 118.42 1wpk h LEU 84 Ca -0.03 -0.22 -0.20 0.00 0.13 0.00 0.00 57.88 57.56 1wpk h LEU 84 Cb 1.33 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 41.33 1wpk h LEU 84 CO 0.12 0.89 -0.88 -0.78 -0.13 0.00 0.00 178.44 177.66 1wpk h ASP 85 N 0.28 0.23 0.24 1.25 3.58 -1.85 -2.93 116.42 117.21 1wpk h ASP 85 Ca 0.00 -0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.25 1wpk h ASP 85 Cb 1.08 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.06 1wpk h ASP 85 CO 0.10 1.00 -0.11 0.11 -2.88 0.00 0.00 179.24 177.45 1wpk h LYS 86 N 0.09 -0.31 -0.65 0.28 1.57 -1.32 -2.79 116.57 113.45 1wpk h LYS 86 Ca -0.04 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.83 1wpk h LYS 86 Cb 1.52 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.86 1wpk h LYS 86 CO 0.13 0.04 0.43 -0.84 -0.57 0.00 0.00 179.45 178.64 1wpk h ILE 87 N -0.72 0.97 -0.81 1.86 -0.00 -1.54 -0.78 117.51 116.49 1wpk h ILE 87 Ca -0.03 -0.20 -0.03 0.00 -0.00 0.00 0.00 64.86 64.60 1wpk h ILE 87 Cb 0.49 0.33 -0.04 0.00 -0.00 0.00 0.00 36.82 37.60 1wpk h ILE 87 CO 0.05 0.11 0.41 0.74 -0.00 0.00 0.00 178.15 179.46 1wpk h THR 88 N 0.59 1.25 -0.07 0.16 2.02 -1.46 0.39 112.91 115.79 1wpk h THR 88 Ca 0.29 -0.67 -0.11 0.00 0.77 0.00 0.00 66.41 66.68 1wpk h THR 88 Cb 0.36 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1wpk h THR 88 CO -0.09 0.29 -0.48 -0.74 0.37 0.00 0.00 175.52 174.87 1wpk h HIS 89 N 1.15 0.20 -0.07 3.16 2.76 -0.89 -2.88 115.15 118.58 1wpk h HIS 89 Ca 0.28 -0.06 -0.09 0.00 -2.20 0.00 0.00 60.37 58.30 1wpk h HIS 89 Cb 0.09 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.01 1wpk h HIS 89 CO 0.01 0.62 -0.30 0.00 -1.30 0.00 0.00 177.93 176.96 1wpk h ALA 90 N 1.37 0.13 -0.85 5.26 0.00 -0.66 -1.67 119.26 122.85 1wpk h ALA 90 Ca 0.01 -0.43 0.08 0.00 0.00 0.00 0.00 54.91 54.57 1wpk h ALA 90 Cb 0.90 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 1wpk h ALA 90 CO 0.07 0.18 0.51 0.00 0.00 0.00 0.00 179.25 180.01 1wpk h ARG 92 N 0.88 0.04 -0.45 0.00 2.43 -1.55 -3.12 114.38 112.61 1wpk h ARG 92 Ca 0.40 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.51 1wpk h ARG 92 Cb 0.30 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 1wpk h ARG 92 CO -0.22 0.80 0.23 1.25 -1.51 0.00 0.00 179.97 180.52 1wpk h LEU 93 N 0.02 0.58 -3.84 3.80 6.46 -0.25 -2.63 115.31 119.45 1wpk h LEU 93 Ca -0.01 -0.11 -0.53 0.00 -0.12 0.00 0.00 57.88 57.10 1wpk h LEU 93 Cb 1.38 -0.15 -0.27 0.00 -0.73 0.00 0.00 40.66 40.89 1wpk h LEU 93 CO 0.11 0.53 0.68 0.00 -0.62 0.00 0.00 178.44 179.14 1wpk n LEU 94 N -4.67 6.87 -3.62 2.25 -0.00 -0.71 -4.69 117.00 112.43 1wpk n LEU 94 Ca 0.01 -3.71 -0.28 0.00 -0.00 0.00 0.00 56.01 52.03 1wpk n LEU 94 Cb 0.10 -0.89 -0.11 0.00 -0.00 0.00 0.00 43.42 42.52 1wpk n LEU 94 CO 0.36 1.19 -0.21 -1.61 -0.00 0.00 0.00 177.39 177.12 1wpk s GLU 95 N -3.18 1.47 0.19 1.47 2.02 -0.99 -4.80 118.70 114.88 1wpk s GLU 95 Ca 0.54 -2.46 0.00 0.00 0.02 0.00 0.00 54.97 53.07 1wpk s GLU 95 Cb 0.44 -2.23 0.00 0.00 0.10 0.00 0.00 34.13 32.44 1wpk s GLU 95 CO 0.05 -1.31 0.00 1.04 0.02 0.00 0.00 175.26 175.06 1wpk n GLN 96 N 2.73 0.00 0.00 1.61 3.00 -1.26 -4.93 117.38 118.53 1wpk n GLN 96 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 1wpk n GLN 96 Cb 0.41 -0.05 0.00 0.00 0.00 0.00 0.00 30.24 30.60 1wpk n GLN 96 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1wpk n GLU 97 N -3.18 0.00 -4.61 -1.09 2.13 -1.26 -5.14 120.64 107.49 1wpk n GLU 97 Ca 0.00 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.49 1wpk n GLU 97 Cb 0.02 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.61 1wpk n GLU 97 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1wpk s THR 98 N -1.03 3.47 0.88 6.31 2.01 -1.26 -5.11 115.64 120.92 1wpk s THR 98 Ca 0.00 -0.72 -0.14 0.00 0.31 0.00 0.00 61.69 61.15 1wpk s THR 98 Cb 0.00 -2.45 0.02 0.00 0.01 0.00 0.00 72.50 70.08 1wpk s THR 98 CO 0.00 0.48 0.51 -2.65 -0.69 0.00 0.00 174.62 172.28 1wpk n PRO 99 N 1.88 -0.10 -4.12 4.92 -0.02 -1.26 -4.87 135.00 131.43 1wpk n PRO 99 Ca -0.16 0.02 -0.13 0.00 -2.02 0.00 0.00 63.50 61.20 1wpk n PRO 99 Cb 0.53 -1.90 -0.11 0.00 -0.02 0.00 0.00 33.50 31.99 1wpk n PRO 99 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1wpk s VAL 100 N -2.25 0.70 0.23 -1.45 1.01 -1.26 -5.12 120.40 112.25 1wpk s VAL 100 Ca 0.60 -1.39 -0.30 0.00 0.00 0.00 0.00 61.98 60.90 1wpk s VAL 100 Cb -0.25 -1.02 -0.10 0.00 0.00 0.00 0.00 36.38 35.01 1wpk s VAL 100 CO 0.64 -0.51 1.39 0.28 0.00 0.00 0.00 175.10 176.90 1wpk s THR 101 N -2.05 2.87 0.13 3.92 -1.32 -1.26 -4.93 115.64 113.00 1wpk s THR 101 Ca -0.02 0.72 -0.10 0.00 -1.21 0.00 0.00 61.69 61.08 1wpk s THR 101 Cb -0.05 -3.46 -0.11 0.00 -1.51 0.00 0.00 72.50 67.36 1wpk s THR 101 CO -0.01 0.11 1.38 0.25 -2.21 0.00 0.00 174.62 174.15 1wpk h LEU 102 N 5.19 0.89 -2.15 9.08 5.85 -2.02 -3.08 115.31 129.06 1wpk h LEU 102 Ca -0.45 -0.53 0.04 0.00 0.84 0.00 0.00 57.88 57.78 1wpk h LEU 102 Cb 1.22 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1wpk h LEU 102 CO 0.78 1.31 0.12 1.05 -0.34 0.00 0.00 178.44 181.36 1wpk h GLU 103 N 0.56 0.00 -0.27 1.25 4.11 -1.98 -2.03 114.58 116.22 1wpk h GLU 103 Ca -0.02 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.46 1wpk h GLU 103 Cb 1.26 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.47 1wpk h GLU 103 CO 0.14 0.00 -0.00 0.00 0.07 0.00 0.00 179.01 179.21 1wpk h ALA 104 N 1.89 0.24 -0.09 1.06 0.00 -1.94 0.33 119.26 120.75 1wpk h ALA 104 Ca 0.07 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1wpk h ALA 104 Cb 0.31 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1wpk h ALA 104 CO -0.00 -0.42 -0.03 -0.07 0.00 0.00 0.00 179.25 178.73 1wpk h LEU 105 N 0.08 0.11 -1.23 0.00 -0.00 -1.52 0.87 115.31 113.61 1wpk h LEU 105 Ca 0.13 -0.01 -0.06 0.00 -0.00 0.00 0.00 57.88 57.93 1wpk h LEU 105 Cb 0.17 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 40.79 1wpk h LEU 105 CO -0.22 0.17 -0.31 0.00 -0.00 0.00 0.00 178.44 178.08 1wpk h ALA 106 N 1.85 1.14 -0.21 1.53 0.00 -0.51 -2.23 119.26 120.83 1wpk h ALA 106 Ca 0.03 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.51 1wpk h ALA 106 Cb 0.14 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1wpk h ALA 106 CO 0.01 0.38 -0.51 0.22 0.00 0.00 0.00 179.25 179.35 1wpk h ASP 107 N 0.00 0.64 0.32 0.00 3.58 0.20 0.16 116.42 121.32 1wpk h ASP 107 Ca -0.00 -0.33 -0.29 0.00 0.42 0.00 0.00 57.03 56.84 1wpk h ASP 107 Cb 0.71 -0.18 0.02 0.00 1.72 0.00 0.00 39.33 41.60 1wpk h ASP 107 CO 0.04 1.03 -1.22 -0.61 -2.88 0.00 0.00 179.24 175.60 1wpk h GLN 108 N 0.46 0.48 0.00 0.28 4.15 -1.28 -3.25 115.11 115.94 1wpk h GLN 108 Ca 0.02 -0.68 0.00 0.00 0.77 0.00 0.00 58.65 58.76 1wpk h GLN 108 Cb 1.05 0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.97 1wpk h GLN 108 CO 0.10 1.30 -0.17 -0.39 -1.93 0.00 0.00 178.83 177.74 1wpk h VAL 109 N 0.20 0.00 -2.72 2.39 -1.51 -1.42 -3.47 116.25 109.72 1wpk h VAL 109 Ca -0.16 -0.69 -0.25 0.00 -1.23 0.00 0.00 66.70 64.36 1wpk h VAL 109 Cb 1.91 1.59 0.03 0.00 -2.13 0.00 0.00 31.29 32.69 1wpk h VAL 109 CO 0.22 0.00 -0.37 0.00 -1.23 0.00 0.00 177.57 176.20 1wpk n ALA 110 N -1.93 -0.55 -3.89 5.19 0.00 0.47 -5.01 120.51 114.79 1wpk n ALA 110 Ca 0.04 0.16 -0.08 0.00 0.00 0.00 0.00 53.44 53.56 1wpk n ALA 110 Cb 0.47 -2.39 -0.02 0.00 0.00 0.00 0.00 19.45 17.51 1wpk n ALA 110 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1wpk n MET 111 N -2.66 1.06 -3.34 0.00 2.81 -0.73 -5.04 117.12 109.21 1wpk n MET 111 Ca -0.09 -1.03 -0.19 0.00 -1.81 0.00 0.00 57.70 54.59 1wpk n MET 111 Cb 0.58 0.48 0.00 0.00 -0.71 0.00 0.00 33.22 33.57 1wpk n MET 111 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1wpk s SER 112 N -1.75 5.90 0.21 7.83 0.01 -1.26 -4.63 113.70 120.01 1wpk s SER 112 Ca 0.04 -0.17 0.19 0.00 1.31 0.00 0.00 55.95 57.32 1wpk s SER 112 Cb 0.00 -1.18 0.87 0.00 0.21 0.00 0.00 66.02 65.93 1wpk s SER 112 CO 0.03 -0.52 1.57 -0.81 0.41 0.00 0.00 173.24 173.92 1wpk n PRO 113 N -1.72 0.12 -0.02 12.44 -0.04 -1.26 -2.38 135.00 142.14 1wpk n PRO 113 Ca 0.01 0.49 -0.17 0.00 -0.04 0.00 0.00 63.50 63.79 1wpk n PRO 113 Cb 0.58 -1.80 -0.06 0.00 -0.04 0.00 0.00 33.50 32.17 1wpk n PRO 113 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1wpk h PHE 114 N 0.00 1.05 -0.05 0.54 0.04 -1.98 -1.41 116.94 115.12 1wpk h PHE 114 Ca 0.00 -0.46 -0.04 0.00 2.80 0.00 0.00 57.97 60.27 1wpk h PHE 114 Cb 0.17 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.16 1wpk h PHE 114 CO 0.00 1.29 -0.13 1.25 -0.60 0.00 0.00 178.31 180.12 1wpk h HIS 115 N 0.53 0.22 -0.06 -0.55 2.76 -1.88 -2.18 115.15 114.00 1wpk h HIS 115 Ca -0.05 -0.09 -0.00 0.00 -2.20 0.00 0.00 60.37 58.03 1wpk h HIS 115 Cb 1.40 -0.04 -0.00 0.00 1.55 0.00 0.00 27.41 30.32 1wpk h HIS 115 CO 0.08 0.74 0.02 -0.07 -1.30 0.00 0.00 177.93 177.41 1wpk h LEU 116 N -0.37 0.08 -0.97 0.26 3.38 -1.63 0.52 115.31 116.57 1wpk h LEU 116 Ca -0.00 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.85 1wpk h LEU 116 Cb 0.74 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.42 1wpk h LEU 116 CO 0.03 0.20 0.64 -0.74 0.09 0.00 0.00 178.44 178.66 1wpk h HIS 117 N -0.06 1.20 -0.02 1.13 2.76 -1.35 0.78 115.15 119.60 1wpk h HIS 117 Ca 0.02 0.03 -0.24 0.00 -2.20 0.00 0.00 60.37 57.98 1wpk h HIS 117 Cb 0.15 -0.40 0.01 0.00 1.55 0.00 0.00 27.41 28.72 1wpk h HIS 117 CO -0.02 0.70 -0.95 0.00 -1.30 0.00 0.00 177.93 176.37 1wpk h ARG 118 N 1.25 0.53 -0.15 5.26 3.08 -1.20 -2.34 114.38 120.81 1wpk h ARG 118 Ca 0.38 -0.55 -0.19 0.00 0.07 0.00 0.00 59.98 59.69 1wpk h ARG 118 Cb -0.03 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1wpk h ARG 118 CO -0.11 1.18 -0.69 1.25 -1.07 0.00 0.00 179.97 180.52 1wpk h LEU 119 N 0.31 0.74 -0.04 3.04 5.85 0.53 -1.18 115.31 124.55 1wpk h LEU 119 Ca -0.09 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.16 1wpk h LEU 119 Cb 1.58 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 42.39 1wpk h LEU 119 CO 0.17 1.22 -0.02 0.15 -0.34 0.00 0.00 178.44 179.63 1wpk h PHE 120 N 0.45 0.10 -0.01 1.25 3.04 0.52 -2.80 116.94 119.49 1wpk h PHE 120 Ca -0.03 -0.02 -0.08 0.00 3.98 0.00 0.00 57.97 61.82 1wpk h PHE 120 Cb 1.29 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.76 1wpk h PHE 120 CO 0.06 0.46 -0.39 1.57 -2.02 0.00 0.00 178.31 177.99 1wpk h LYS 121 N -0.29 0.02 -0.39 1.11 5.09 -1.48 -1.46 116.57 119.18 1wpk h LYS 121 Ca 0.01 -0.01 -0.05 0.00 0.09 0.00 0.00 60.65 60.69 1wpk h LYS 121 Cb 0.43 -0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.74 1wpk h LYS 121 CO 0.01 0.41 0.03 0.00 -2.09 0.00 0.00 179.45 177.81 1wpk h ALA 122 N 1.59 1.33 0.00 0.07 0.00 -1.13 0.59 119.26 121.70 1wpk h ALA 122 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1wpk h ALA 122 Cb 0.70 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1wpk h ALA 122 CO 0.05 0.46 -0.10 1.15 0.00 0.00 0.00 179.25 180.81 1wpk h THR 123 N 0.58 0.00 -0.72 0.00 2.02 -1.22 -3.38 112.91 110.18 1wpk h THR 123 Ca 0.13 -0.36 0.02 0.00 0.77 0.00 0.00 66.41 66.97 1wpk h THR 123 Cb 0.32 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.69 1wpk h THR 123 CO 0.01 0.00 0.48 0.71 0.37 0.00 0.00 175.52 177.08 1wpk h THR 124 N -0.36 1.13 0.00 3.16 1.35 -1.39 -3.46 112.91 113.34 1wpk h THR 124 Ca 0.00 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1wpk h THR 124 Cb 0.10 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 66.67 1wpk h THR 124 CO 0.00 0.17 0.00 0.61 -0.25 0.00 0.00 175.52 176.05 1wpk n GLY 125 N -1.43 2.44 3.52 5.82 0.00 0.21 -5.05 105.19 110.69 1wpk n GLY 125 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 1wpk n GLY 125 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wpk s MET 126 N -0.17 1.75 0.55 1.61 1.00 -1.23 -4.84 119.30 117.97 1wpk s MET 126 Ca 0.00 -1.94 -0.15 0.00 0.00 0.00 0.00 55.69 53.60 1wpk s MET 126 Cb 0.00 -1.38 -0.06 0.00 0.00 0.00 0.00 34.83 33.39 1wpk s MET 126 CO 0.00 -0.00 1.01 0.95 0.00 0.00 0.00 175.02 176.98 1wpk s THR 127 N -2.88 4.38 0.45 2.05 -4.23 -1.26 -4.03 115.64 110.12 1wpk s THR 127 Ca 0.33 1.07 0.18 0.00 -1.18 0.00 0.00 61.69 62.09 1wpk s THR 127 Cb 0.06 -3.65 0.22 0.00 1.34 0.00 0.00 72.50 70.46 1wpk s THR 127 CO 0.15 -0.72 2.03 1.55 -0.54 0.00 0.00 174.62 177.09 1wpk h PRO 128 N 0.57 0.00 -0.01 3.99 0.13 -1.95 -2.15 132.00 132.58 1wpk h PRO 128 Ca -0.46 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.52 1wpk h PRO 128 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1wpk h PRO 128 CO 0.60 0.16 -0.68 -0.22 -0.23 0.00 0.00 178.00 177.63 1wpk h LYS 129 N 0.00 0.07 -0.12 0.86 3.64 -2.01 -3.12 116.57 115.90 1wpk h LYS 129 Ca -0.00 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.17 1wpk h LYS 129 Cb 0.30 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1wpk h LYS 129 CO 0.02 0.73 -0.58 0.00 -2.27 0.00 0.00 179.45 177.35 1wpk h ALA 130 N 1.26 0.78 -0.09 5.00 0.00 -1.78 -2.15 119.26 122.28 1wpk h ALA 130 Ca -0.01 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 1wpk h ALA 130 Cb 1.21 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1wpk h ALA 130 CO 0.09 0.70 0.05 -1.49 0.00 0.00 0.00 179.25 178.61 1wpk h TRP 131 N 0.29 0.13 -0.36 0.00 -0.00 -1.45 0.77 115.95 115.33 1wpk h TRP 131 Ca -0.00 -0.00 -0.11 0.00 -0.00 0.00 0.00 58.89 58.77 1wpk h TRP 131 Cb 1.10 -0.04 -0.01 0.00 -0.00 0.00 0.00 29.16 30.20 1wpk h TRP 131 CO 0.03 0.15 -0.23 1.96 -0.00 0.00 0.00 178.44 180.35 1wpk h GLN 132 N 0.06 0.71 -0.16 0.49 4.20 -1.56 -2.46 115.11 116.39 1wpk h GLN 132 Ca 0.03 -0.29 -0.20 0.00 0.06 0.00 0.00 58.65 58.25 1wpk h GLN 132 Cb 0.07 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1wpk h GLN 132 CO -0.01 0.88 -0.71 0.37 -0.67 0.00 0.00 178.83 178.70 1wpk h GLN 133 N 0.62 0.69 -0.77 1.46 5.75 -1.16 -2.82 115.11 118.90 1wpk h GLN 133 Ca 0.09 -0.53 -0.03 0.00 -0.15 0.00 0.00 58.65 58.03 1wpk h GLN 133 Cb 0.73 0.10 -0.04 0.00 1.07 0.00 0.00 27.48 29.34 1wpk h GLN 133 CO 0.06 1.15 0.38 0.00 -2.65 0.00 0.00 178.83 177.76 1wpk h ALA 134 N 0.71 0.99 -0.53 3.38 0.00 0.67 0.47 119.26 124.95 1wpk h ALA 134 Ca -0.03 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1wpk h ALA 134 Cb 1.31 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1wpk h ALA 134 CO 0.14 0.54 0.06 2.35 0.00 0.00 0.00 179.25 182.34 1wpk h TRP 135 N 1.08 0.97 -0.01 0.00 7.01 -1.45 0.18 115.95 123.72 1wpk h TRP 135 Ca 0.26 -0.15 -0.17 0.00 2.11 0.00 0.00 58.89 60.95 1wpk h TRP 135 Cb 0.10 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 26.88 1wpk h TRP 135 CO 0.01 0.87 -0.78 -0.09 -2.79 0.00 0.00 178.44 175.66 1wpk h ARG 136 N 0.78 0.12 0.00 2.65 2.43 -1.22 -2.76 114.38 116.38 1wpk h ARG 136 Ca 0.16 -0.12 -0.20 0.00 -0.81 0.00 0.00 59.98 59.01 1wpk h ARG 136 Cb 0.45 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1wpk h ARG 136 CO 0.02 0.84 -0.88 0.00 -1.51 0.00 0.00 179.97 178.44 1wpk h ALA 137 N 1.13 0.51 -0.03 2.80 0.00 0.13 -2.78 119.26 121.02 1wpk h ALA 137 Ca -0.02 -0.72 -0.14 0.00 0.00 0.00 0.00 54.91 54.03 1wpk h ALA 137 Cb 1.36 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1wpk h ALA 137 CO 0.11 0.90 -0.62 -0.09 0.00 0.00 0.00 179.25 179.55 1wpk h ARG 138 N 0.12 0.13 -0.00 0.00 2.43 -0.64 -0.74 114.38 115.68 1wpk h ARG 138 Ca -0.05 -0.09 -0.18 0.00 -0.81 0.00 0.00 59.98 58.85 1wpk h ARG 138 Cb 1.50 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 31.05 1wpk h ARG 138 CO 0.14 0.71 -0.82 -0.09 -1.51 0.00 0.00 179.97 178.39 1wpk h ARG 139 N 0.09 0.10 0.05 0.20 2.43 -1.48 -2.52 114.38 113.25 1wpk h ARG 139 Ca -0.01 -0.10 -0.26 0.00 -0.81 0.00 0.00 59.98 58.80 1wpk h ARG 139 Cb 1.12 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 1wpk h ARG 139 CO 0.09 0.86 -1.26 1.25 -1.51 0.00 0.00 179.97 179.40 1wpk h LEU 140 N 0.05 0.18 -0.57 3.80 6.46 -1.40 -2.68 115.31 121.15 1wpk h LEU 140 Ca -0.02 -0.22 -0.16 0.00 -0.12 0.00 0.00 57.88 57.36 1wpk h LEU 140 Cb 1.44 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 41.30 1wpk h LEU 140 CO 0.12 1.18 -0.61 -0.09 -0.62 0.00 0.00 178.44 178.41 1wpk h ARG 141 N 0.03 0.37 0.07 1.25 2.43 -1.15 -3.16 114.38 114.21 1wpk h ARG 141 Ca -0.12 -0.25 -0.24 0.00 -0.81 0.00 0.00 59.98 58.55 1wpk h ARG 141 Cb 1.90 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 31.48 1wpk h ARG 141 CO 0.15 0.86 -1.10 0.93 -1.51 0.00 0.00 179.97 179.30 1wpk h GLU 142 N 0.27 0.25 -3.44 0.20 4.39 -1.54 -3.50 114.58 111.21 1wpk h GLU 142 Ca -0.01 -0.36 0.37 0.00 0.34 0.00 0.00 59.36 59.70 1wpk h GLU 142 Cb 1.13 0.12 -0.16 0.00 -0.10 0.00 0.00 28.75 29.75 1wpk h GLU 142 CO 0.10 1.13 -1.01 0.43 -1.16 0.00 0.00 179.01 178.50 1wpk n SER 143 N -3.57 -8.53 -0.01 1.42 7.64 -1.01 -4.82 113.62 104.75 1wpk n SER 143 Ca -0.06 1.15 -0.00 0.00 1.01 0.00 0.00 58.87 60.97 1wpk n SER 143 Cb 0.94 -4.81 -0.00 0.00 -1.01 0.00 0.00 64.21 59.33 1wpk n SER 143 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1wpk h LEU 144 N -1.42 0.00-10.15 -3.43 4.07 -1.92 -3.47 115.31 98.98 1wpk h LEU 144 Ca -0.12 0.00 -0.50 0.00 0.08 0.00 0.00 57.88 57.35 1wpk h LEU 144 Cb 1.39 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.13 1wpk h LEU 144 CO 0.06 0.11 0.11 0.00 -1.08 0.00 0.00 178.44 177.63 1wpk s ALA 145 N -2.91 3.36 0.00 1.53 0.00 -1.26 -5.27 121.76 117.20 1wpk s ALA 145 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.75 1wpk s ALA 145 Cb 0.00 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 20.43 1wpk s ALA 145 CO 0.01 0.01 0.45 1.17 0.00 0.00 0.00 175.76 177.40