#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wpk n LYS 2 N 0.00 -6.03 -2.90 2.12 4.81 -1.26 -4.95 118.16 109.95 1wpk n LYS 2 Ca 0.00 0.84 -0.41 0.00 -0.87 0.00 0.00 58.31 57.87 1wpk n LYS 2 Cb 0.00 -5.70 -0.04 0.00 0.02 0.00 0.00 35.03 29.31 1wpk n LYS 2 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1wpk s LYS 3 N -5.92 4.41 0.19 1.64 0.00 -1.26 -5.03 119.74 113.77 1wpk s LYS 3 Ca 0.41 1.07 -0.30 0.00 0.00 0.00 0.00 55.97 57.16 1wpk s LYS 3 Cb -0.18 -3.50 -0.08 0.00 0.00 0.00 0.00 37.83 34.07 1wpk s LYS 3 CO 0.51 -0.13 0.95 0.00 0.00 0.00 0.00 175.35 176.68 1wpk s ALA 4 N 1.43 3.31 0.09 0.59 0.00 -1.26 -5.06 121.76 120.85 1wpk s ALA 4 Ca 0.41 0.61 0.05 0.00 0.00 0.00 0.00 51.96 53.03 1wpk s ALA 4 Cb -0.18 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 1wpk s ALA 4 CO 0.18 0.12 -0.13 0.99 0.00 0.00 0.00 175.76 176.91 1wpk s THR 5 N -0.76 1.13 0.00 0.00 2.01 -1.26 -5.02 115.64 111.75 1wpk s THR 5 Ca 0.43 -1.45 0.00 0.00 0.31 0.00 0.00 61.69 60.99 1wpk s THR 5 Cb -0.25 -1.21 0.00 0.00 0.01 0.00 0.00 72.50 71.05 1wpk s THR 5 CO 0.31 -0.32 0.00 0.00 -0.69 0.00 0.00 174.62 173.93 1wpk n LEU 7 N -1.90 -1.93 -4.31 0.00 7.99 -1.26 -4.95 117.00 110.64 1wpk n LEU 7 Ca 0.00 -0.07 -0.20 0.00 -0.01 0.00 0.00 56.01 55.73 1wpk n LEU 7 Cb 0.00 -2.40 -0.08 0.00 -0.11 0.00 0.00 43.42 40.83 1wpk n LEU 7 CO 0.00 -0.07 -0.14 0.42 -1.51 0.00 0.00 177.39 176.09 1wpk s THR 8 N -2.87 0.11 0.58 -5.08 -4.23 -1.26 -5.00 115.64 97.89 1wpk s THR 8 Ca 0.06 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.87 1wpk s THR 8 Cb -0.03 -2.47 0.40 0.00 1.34 0.00 0.00 72.50 71.74 1wpk s THR 8 CO 0.08 0.00 1.88 0.44 -0.54 0.00 0.00 174.62 176.48 1wpk h ASP 9 N 2.13 0.00 -0.16 3.99 5.19 -1.98 0.85 116.42 126.44 1wpk h ASP 9 Ca -0.28 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.02 1wpk h ASP 9 Cb 1.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.75 1wpk h ASP 9 CO 0.42 0.00 -0.33 0.44 -3.12 0.00 0.00 179.24 176.64 1wpk h ASP 10 N 0.00 0.57 -0.16 6.45 5.19 -1.97 -1.30 116.42 125.21 1wpk h ASP 10 Ca 0.26 -0.56 -0.09 0.00 -0.62 0.00 0.00 57.03 56.02 1wpk h ASP 10 Cb 1.32 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.67 1wpk h ASP 10 CO -0.00 1.02 -0.27 -0.61 -3.12 0.00 0.00 179.24 176.26 1wpk h GLN 11 N 0.14 0.46 0.58 3.56 -0.00 -1.28 -2.53 115.11 116.03 1wpk h GLN 11 Ca 0.00 -0.29 -0.03 0.00 -0.00 0.00 0.00 58.65 58.34 1wpk h GLN 11 Cb 0.93 0.03 0.01 0.00 0.00 0.00 0.00 27.48 28.45 1wpk h GLN 11 CO 0.07 0.88 -0.28 0.00 0.00 0.00 0.00 178.83 179.51 1wpk h ARG 12 N 0.08 -0.75 -0.08 1.69 -0.00 -1.15 -2.43 114.38 111.75 1wpk h ARG 12 Ca 0.01 0.05 0.02 0.00 -0.50 0.00 0.00 59.98 59.56 1wpk h ARG 12 Cb 0.86 0.17 -0.00 0.00 0.00 0.00 0.00 29.97 30.99 1wpk h ARG 12 CO 0.06 -0.45 0.14 2.35 0.00 0.00 0.00 179.97 182.07 1wpk h TRP 13 N -0.90 0.00 0.29 3.04 -0.00 -1.34 -2.27 115.95 114.78 1wpk h TRP 13 Ca -0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.80 1wpk h TRP 13 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.80 1wpk h TRP 13 CO -0.01 0.00 -0.14 1.96 -0.00 0.00 0.00 178.44 180.25 1wpk h GLN 14 N 0.00 -0.37 -0.27 2.65 4.20 -0.98 -1.34 115.11 119.00 1wpk h GLN 14 Ca 0.04 0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.80 1wpk h GLN 14 Cb 0.32 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1wpk h GLN 14 CO -0.00 -0.08 0.18 0.77 -0.67 0.00 0.00 178.83 179.03 1wpk h SER 15 N -0.67 0.23 -0.13 1.46 0.02 -1.19 0.17 113.55 113.44 1wpk h SER 15 Ca -0.04 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.84 1wpk h SER 15 Cb 0.47 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.95 1wpk h SER 15 CO 0.07 0.16 -0.17 0.58 -1.14 0.00 0.00 176.83 176.33 1wpk h VAL 16 N 0.27 1.36 -0.17 2.27 2.07 -1.41 -2.11 116.25 118.53 1wpk h VAL 16 Ca 0.11 -1.37 -0.07 0.00 0.82 0.00 0.00 66.70 66.18 1wpk h VAL 16 Cb 0.11 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1wpk h VAL 16 CO -0.02 0.40 -0.22 -0.07 0.02 0.00 0.00 177.57 177.68 1wpk h LEU 17 N -0.06 0.30 -0.96 2.57 -0.00 -0.68 -2.33 115.31 114.15 1wpk h LEU 17 Ca 0.02 -0.08 -0.08 0.00 -0.00 0.00 0.00 57.88 57.73 1wpk h LEU 17 Cb 0.72 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 41.29 1wpk h LEU 17 CO 0.04 0.53 -0.40 0.00 -0.00 0.00 0.00 178.44 178.60 1wpk h ALA 18 N 1.50 1.03 -2.58 1.53 0.00 -0.92 -3.47 119.26 116.35 1wpk h ALA 18 Ca 0.05 -0.37 -0.41 0.00 0.00 0.00 0.00 54.91 54.18 1wpk h ALA 18 Cb 0.55 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 1wpk h ALA 18 CO 0.04 0.51 -0.50 0.54 0.00 0.00 0.00 179.25 179.83 1wpk n ARG 19 N -3.61 -1.60 -1.55 0.00 1.74 -0.80 -4.87 116.66 105.97 1wpk n ARG 19 Ca -0.01 1.03 -0.44 0.00 -0.77 0.00 0.00 57.85 57.67 1wpk n ARG 19 Cb 0.51 -5.63 -0.04 0.00 -1.02 0.00 0.00 32.46 26.28 1wpk n ARG 19 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1wpk n ASP 20 N -1.81 2.80 0.19 0.55 2.03 -1.24 -4.80 116.55 114.27 1wpk n ASP 20 Ca -0.24 0.16 0.13 0.00 0.52 0.00 0.00 54.79 55.37 1wpk n ASP 20 Cb 0.68 -1.47 0.69 0.00 -0.72 0.00 0.00 41.12 40.30 1wpk n ASP 20 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1wpk h PRO 21 N 14.95 0.00 -1.02 -0.67 0.11 -1.95 -1.92 132.00 141.50 1wpk h PRO 21 Ca -0.35 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.32 1wpk h PRO 21 Cb 1.27 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 32.12 1wpk h PRO 21 CO 1.01 0.00 0.57 -1.71 -0.21 0.00 0.00 178.00 177.66 1wpk n ASN 22 N -2.41 4.08 -1.80 -2.05 5.15 -1.26 -4.43 115.26 112.54 1wpk n ASN 22 Ca -0.01 -3.36 -0.10 0.00 -0.60 0.00 0.00 54.58 50.50 1wpk n ASN 22 Cb 0.06 -0.81 0.19 0.00 -0.53 0.00 0.00 39.78 38.69 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 -0.82 4.40 -0.32 5.20 0.00 -0.72 -4.58 120.51 123.67 1wpk n ALA 23 Ca 0.50 -1.93 0.35 0.00 0.00 0.00 0.00 53.44 52.37 1wpk n ALA 23 Cb 1.37 -1.26 0.68 0.00 0.00 0.00 0.00 19.45 20.25 1wpk n ALA 23 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1wpk h ASP 24 N 1.51 0.00 -0.28 0.00 2.03 -1.84 0.79 116.42 118.63 1wpk h ASP 24 Ca 0.32 0.00 -0.17 0.00 -0.73 0.00 0.00 57.03 56.45 1wpk h ASP 24 Cb 2.14 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 40.53 1wpk h ASP 24 CO 0.68 0.00 -0.33 0.61 -1.03 0.00 0.00 179.24 179.16 1wpk n GLY 25 N -1.75 5.25 0.00 7.15 0.00 -1.26 -4.69 105.19 109.89 1wpk n GLY 25 Ca 0.27 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.06 0.00 -3.62 1.61 4.71 0.28 -5.11 120.64 117.44 1wpk n GLU 26 Ca 0.30 0.00 -0.04 0.00 -0.01 0.00 0.00 57.16 57.41 1wpk n GLU 26 Cb 0.87 -0.10 -0.04 0.00 -1.01 0.00 0.00 31.44 31.17 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 0.00 -0.12 -0.11 -0.32 -0.12 -1.19 -4.88 117.98 111.25 1wpk s PHE 27 Ca 0.00 0.17 -0.16 0.00 -0.05 0.00 0.00 56.93 56.88 1wpk s PHE 27 Cb 0.00 0.49 -0.05 0.00 -0.63 0.00 0.00 43.02 42.84 1wpk s PHE 27 CO 0.00 -0.12 0.42 0.08 -0.05 0.00 0.00 175.22 175.55 1wpk s VAL 28 N -1.39 5.19 -0.37 -2.49 1.01 0.33 -3.66 120.40 119.02 1wpk s VAL 28 Ca 0.07 0.83 -0.18 0.00 0.00 0.00 0.00 61.98 62.70 1wpk s VAL 28 Cb -0.01 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1wpk s VAL 28 CO -0.05 0.39 0.52 -0.36 0.00 0.00 0.00 175.10 175.60 1wpk s PHE 29 N 0.28 3.16 -0.16 5.22 0.08 -1.26 0.10 117.98 125.40 1wpk s PHE 29 Ca 0.23 0.10 -0.21 0.00 0.12 0.00 0.00 56.93 57.17 1wpk s PHE 29 Cb -0.15 -2.98 -0.03 0.00 -0.57 0.00 0.00 43.02 39.30 1wpk s PHE 29 CO 0.09 -0.59 0.65 0.00 -0.10 0.00 0.00 175.22 175.26 1wpk s ALA 30 N 2.42 3.50 -0.42 5.36 0.00 -0.84 -4.06 121.76 127.73 1wpk s ALA 30 Ca 0.19 -0.16 -0.16 0.00 0.00 0.00 0.00 51.96 51.83 1wpk s ALA 30 Cb -0.15 -2.96 0.02 0.00 0.00 0.00 0.00 23.12 20.03 1wpk s ALA 30 CO 0.14 -0.43 0.37 0.08 0.00 0.00 0.00 175.76 175.93 1wpk s VAL 31 N 1.60 5.17 0.27 0.00 1.01 0.39 -0.91 120.40 127.93 1wpk s VAL 31 Ca 0.31 -0.51 0.12 0.00 0.00 0.00 0.00 61.98 61.90 1wpk s VAL 31 Cb -0.16 -3.99 0.03 0.00 0.00 0.00 0.00 36.38 32.25 1wpk s VAL 31 CO 0.12 -0.38 1.68 -0.09 0.00 0.00 0.00 175.10 176.43 1wpk h ARG 32 N 8.69 0.00 0.61 2.72 1.12 -1.84 1.07 114.38 126.75 1wpk h ARG 32 Ca -0.27 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.57 1wpk h ARG 32 Cb 1.11 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 31.08 1wpk h ARG 32 CO 0.77 0.53 -0.29 1.79 -3.11 0.00 0.00 179.97 179.65 1wpk h THR 33 N 0.00 0.18 0.00 0.20 1.35 -1.92 -3.31 112.91 109.40 1wpk h THR 33 Ca -0.01 -0.36 -0.20 0.00 -0.55 0.00 0.00 66.41 65.29 1wpk h THR 33 Cb 0.97 0.24 -0.03 0.00 -1.73 0.00 0.00 68.15 67.61 1wpk h THR 33 CO 0.07 0.03 -1.16 0.71 -0.25 0.00 0.00 175.52 174.91 1wpk h THR 34 N -1.12 1.08 -0.33 6.82 1.35 -1.98 -3.48 112.91 115.25 1wpk h THR 34 Ca -0.08 -2.71 0.00 0.00 -0.55 0.00 0.00 66.41 63.06 1wpk h THR 34 Cb 0.67 2.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.58 1wpk h THR 34 CO 0.14 0.61 0.00 0.61 -0.25 0.00 0.00 175.52 176.63 1wpk n GLY 35 N 1.39 0.91 3.72 5.82 0.00 0.36 -4.94 105.19 112.45 1wpk n GLY 35 Ca -0.06 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.48 0.00 -3.61 -0.61 -5.35 -0.87 -0.45 119.36 106.00 1wpk n ILE 36 Ca 0.00 -2.50 -0.00 0.00 -0.27 0.00 0.00 62.75 59.98 1wpk n ILE 36 Cb 0.35 0.59 -0.00 0.00 -1.74 0.00 0.00 39.64 38.85 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 -1.23 -0.43 -2.76 4.28 1.16 0.36 0.15 117.46 118.98 1wpk n PHE 37 Ca -0.18 -0.07 -0.22 0.00 -1.87 0.00 0.00 57.45 55.11 1wpk n PHE 37 Cb 0.66 0.02 0.03 0.00 -1.61 0.00 0.00 39.48 38.58 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 -2.02 2.72 0.27 3.97 1.81 -1.19 0.13 118.95 124.63 1wpk s ARG 39 Ca 0.01 -0.69 -0.07 0.00 -1.72 0.00 0.00 55.73 53.26 1wpk s ARG 39 Cb -0.00 -2.51 0.47 0.00 -0.45 0.00 0.00 34.95 32.45 1wpk s ARG 39 CO 0.01 -0.56 1.51 -2.30 -0.68 0.00 0.00 175.30 173.27 1wpk n PRO 40 N -2.25 -0.09 0.00 3.54 -0.02 -1.24 -4.31 135.00 130.64 1wpk n PRO 40 Ca 0.06 1.50 0.00 0.00 -2.02 0.00 0.00 63.50 63.04 1wpk n PRO 40 Cb 0.59 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1wpk n PRO 40 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1wpk n SER 41 N -5.56 0.00 0.00 2.55 3.41 -1.25 -3.16 113.62 109.61 1wpk n SER 41 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1wpk n SER 41 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1wpk n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wpk n ARG 43 N -1.47 0.00 -2.66 0.00 -4.01 -1.26 -4.62 116.66 102.64 1wpk n ARG 43 Ca 0.00 -0.88 -0.42 0.00 -1.04 0.00 0.00 57.85 55.50 1wpk n ARG 43 Cb 0.00 0.40 -0.03 0.00 -3.04 0.00 0.00 32.46 29.80 1wpk n ARG 43 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1wpk s ALA 44 N 0.00 3.31 -0.57 2.89 0.00 -1.26 -4.95 121.76 121.19 1wpk s ALA 44 Ca 0.01 0.49 -0.26 0.00 0.00 0.00 0.00 51.96 52.20 1wpk s ALA 44 Cb 0.01 -3.41 -0.06 0.00 0.00 0.00 0.00 23.12 19.67 1wpk s ALA 44 CO -0.01 -0.46 2.20 0.50 0.00 0.00 0.00 175.76 177.99 1wpk s ARG 45 N 1.57 2.27 -0.07 0.00 3.52 -1.26 -4.89 118.95 120.09 1wpk s ARG 45 Ca 0.51 1.01 -0.26 0.00 -0.13 0.00 0.00 55.73 56.87 1wpk s ARG 45 Cb -0.21 -4.54 0.06 0.00 -1.56 0.00 0.00 34.95 28.70 1wpk s ARG 45 CO 0.23 -3.16 0.59 -1.58 -0.81 0.00 0.00 175.30 170.56 1wpk s HIS 46 N 11.19 -0.55 0.05 5.12 2.46 -1.26 -5.09 115.29 127.21 1wpk s HIS 46 Ca 0.85 1.02 0.00 0.00 0.47 0.00 0.00 55.06 57.40 1wpk s HIS 46 Cb -0.15 0.31 0.00 0.00 -0.13 0.00 0.00 32.58 32.61 1wpk s HIS 46 CO 0.22 -0.51 0.00 0.00 -2.47 0.00 0.00 174.74 171.98 1wpk n ALA 47 N 1.29 -2.01 -0.78 1.58 0.00 -1.26 -4.99 120.51 114.35 1wpk n ALA 47 Ca -0.19 0.49 -0.11 0.00 0.00 0.00 0.00 53.44 53.63 1wpk n ALA 47 Cb 0.57 -1.49 0.17 0.00 0.00 0.00 0.00 19.45 18.70 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 1.86 0.00 -2.94 0.00 4.77 -1.26 -4.71 117.00 114.72 1wpk n LEU 48 Ca 0.00 -0.61 -0.31 0.00 -0.03 0.00 0.00 56.01 55.05 1wpk n LEU 48 Cb 0.00 -0.60 -0.07 0.00 -2.33 0.00 0.00 43.42 40.42 1wpk n LEU 48 CO 0.00 -2.03 2.86 -1.14 -1.33 0.00 0.00 177.39 175.75 1wpk n ARG 49 N -3.94 3.25 0.00 3.23 0.00 -1.26 -3.25 116.66 114.69 1wpk n ARG 49 Ca 0.09 -1.92 0.00 0.00 -0.00 0.00 0.00 57.85 56.02 1wpk n ARG 49 Cb 0.36 -2.56 0.00 0.00 0.00 0.00 0.00 32.46 30.26 1wpk n ARG 49 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1wpk n GLU 50 N 3.17 0.00 -0.78 -0.14 0.28 -1.26 -4.93 120.64 116.99 1wpk n GLU 50 Ca 0.68 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.69 1wpk n GLU 50 Cb 0.43 0.00 0.30 0.00 1.43 0.00 0.00 31.44 33.59 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 -1.31 4.65 -4.83 -1.84 3.02 -1.20 -4.92 115.26 108.83 1wpk n ASN 51 Ca 0.00 -2.86 -0.35 0.00 -0.03 0.00 0.00 54.58 51.34 1wpk n ASN 51 Cb 0.00 -0.68 -0.07 0.00 -0.61 0.00 0.00 39.78 38.43 1wpk n ASN 51 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1wpk s VAL 52 N -2.48 5.13 0.34 2.41 -7.23 -1.23 -3.48 120.40 113.86 1wpk s VAL 52 Ca 0.45 -0.03 0.10 0.00 -1.81 0.00 0.00 61.98 60.69 1wpk s VAL 52 Cb 0.35 -3.26 -0.06 0.00 0.56 0.00 0.00 36.38 33.97 1wpk s VAL 52 CO 0.12 0.54 -0.10 -0.44 -0.31 0.00 0.00 175.10 174.91 1wpk s SER 53 N -1.22 3.76 0.07 4.85 0.01 -0.09 -4.98 113.70 116.11 1wpk s SER 53 Ca 0.17 -1.16 0.09 0.00 1.31 0.00 0.00 55.95 56.37 1wpk s SER 53 Cb -0.12 -0.36 -0.03 0.00 0.21 0.00 0.00 66.02 65.72 1wpk s SER 53 CO 0.07 -0.18 -0.25 -0.36 0.41 0.00 0.00 173.24 172.94 1wpk s PHE 54 N -2.59 2.13 0.11 2.43 0.08 -1.26 -1.98 117.98 116.90 1wpk s PHE 54 Ca 0.32 -0.40 -0.11 0.00 0.12 0.00 0.00 56.93 56.87 1wpk s PHE 54 Cb 0.01 -1.24 0.01 0.00 -0.57 0.00 0.00 43.02 41.23 1wpk s PHE 54 CO 0.17 0.17 0.26 0.71 -0.10 0.00 0.00 175.22 176.43 1wpk s TYR 55 N -0.90 0.09 -0.18 0.36 2.02 0.28 -4.81 117.35 114.21 1wpk s TYR 55 Ca 0.11 -0.48 -0.11 0.00 -0.37 0.00 0.00 57.07 56.22 1wpk s TYR 55 Cb -0.10 0.03 -0.22 0.00 -0.40 0.00 0.00 41.96 41.28 1wpk s TYR 55 CO 0.03 -0.62 0.18 0.00 -1.57 0.00 0.00 175.55 173.58 1wpk n ALA 56 N -0.13 0.95 -2.31 3.71 0.00 -1.26 0.12 120.51 121.59 1wpk n ALA 56 Ca -0.14 -0.67 -0.19 0.00 0.00 0.00 0.00 53.44 52.44 1wpk n ALA 56 Cb 0.63 -0.50 -0.08 0.00 0.00 0.00 0.00 19.45 19.49 1wpk n ALA 56 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1wpk s ASN 57 N -6.97 1.65 0.04 0.00 3.84 -1.26 -4.26 114.94 107.99 1wpk s ASN 57 Ca -0.27 -1.69 -0.16 0.00 0.21 0.00 0.00 52.86 50.94 1wpk s ASN 57 Cb 0.07 0.52 -0.27 0.00 -0.55 0.00 0.00 41.25 41.02 1wpk s ASN 57 CO 0.67 -1.01 1.10 0.00 -2.79 0.00 0.00 177.10 175.08 1wpk h ALA 58 N 2.15 0.03 -0.23 1.71 0.00 -1.98 -3.06 119.26 117.87 1wpk h ALA 58 Ca -0.28 -0.71 0.06 0.00 0.00 0.00 0.00 54.91 53.98 1wpk h ALA 58 Cb 1.24 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1wpk h ALA 58 CO 0.42 0.59 0.17 0.66 0.00 0.00 0.00 179.25 181.09 1wpk h SER 59 N 0.17 0.03 0.05 0.00 4.64 -1.97 0.95 113.55 117.43 1wpk h SER 59 Ca -0.15 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1wpk h SER 59 Cb 1.73 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.81 1wpk h SER 59 CO 0.20 0.02 -0.02 -0.33 -0.87 0.00 0.00 176.83 175.83 1wpk h GLU 60 N 0.03 -0.07 -0.04 4.77 4.39 -1.98 -2.35 114.58 119.34 1wpk h GLU 60 Ca 0.11 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.68 1wpk h GLU 60 Cb 0.39 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1wpk h GLU 60 CO -0.01 0.56 -0.60 0.00 -1.16 0.00 0.00 179.01 177.80 1wpk h ALA 61 N -0.04 0.92 -0.23 3.43 0.00 -1.37 -3.00 119.26 118.98 1wpk h ALA 61 Ca -0.01 -0.54 -0.07 0.00 0.00 0.00 0.00 54.91 54.29 1wpk h ALA 61 Cb 0.66 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1wpk h ALA 61 CO 0.01 0.74 -0.13 1.25 0.00 0.00 0.00 179.25 181.12 1wpk h LEU 62 N 0.10 0.51 -1.12 0.00 6.46 0.84 -3.04 115.31 119.06 1wpk h LEU 62 Ca -0.01 -0.42 0.03 0.00 -0.12 0.00 0.00 57.88 57.37 1wpk h LEU 62 Cb 1.09 -0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 40.82 1wpk h LEU 62 CO 0.09 0.82 0.60 0.00 -0.62 0.00 0.00 178.44 179.33 1wpk h ALA 63 N 0.71 1.41 0.00 1.25 0.00 -1.41 -0.53 119.26 120.69 1wpk h ALA 63 Ca 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1wpk h ALA 63 Cb 0.63 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1wpk h ALA 63 CO 0.04 0.50 -0.05 0.00 0.00 0.00 0.00 179.25 179.74 1wpk h ALA 64 N 1.46 1.35 0.00 0.00 0.00 -1.45 -3.45 119.26 117.17 1wpk h ALA 64 Ca 0.36 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1wpk h ALA 64 Cb -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1wpk h ALA 64 CO -0.10 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.62 1wpk n GLY 65 N -0.99 0.51 2.98 0.00 0.00 -0.22 -5.13 105.19 102.34 1wpk n GLY 65 Ca -0.02 -0.75 -0.13 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.40 -0.14 0.21 1.61 0.40 -1.16 -4.87 117.98 113.62 1wpk s PHE 66 Ca 0.00 0.38 -0.30 0.00 -0.60 0.00 0.00 56.93 56.41 1wpk s PHE 66 Cb 0.00 0.01 -0.08 0.00 0.51 0.00 0.00 43.02 43.46 1wpk s PHE 66 CO 0.00 -0.10 0.96 1.03 0.70 0.00 0.00 175.22 177.82 1wpk s ARG 67 N 0.39 4.80 0.66 0.44 1.81 0.41 -4.24 118.95 123.21 1wpk s ARG 67 Ca -0.03 1.51 -0.13 0.00 -1.72 0.00 0.00 55.73 55.36 1wpk s ARG 67 Cb -0.04 -3.30 -0.01 0.00 -0.45 0.00 0.00 34.95 31.15 1wpk s ARG 67 CO -0.02 0.41 1.06 -1.25 -0.68 0.00 0.00 175.30 174.82 1wpk s PRO 68 N -0.87 3.03 -0.30 3.54 0.04 -1.26 0.13 135.00 139.32 1wpk s PRO 68 Ca 0.43 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.58 1wpk s PRO 68 Cb -0.26 -2.00 0.09 0.00 0.04 0.00 0.00 34.50 32.38 1wpk s PRO 68 CO 0.32 -1.03 0.06 0.00 0.04 0.00 0.00 177.00 176.39 1wpk n LYS 70 N 4.74 1.02 0.29 0.00 2.85 -1.26 -3.17 118.16 122.62 1wpk n LYS 70 Ca -0.03 -0.50 0.17 0.00 -1.05 0.00 0.00 58.31 56.90 1wpk n LYS 70 Cb 0.43 -1.49 0.86 0.00 -0.65 0.00 0.00 35.03 34.18 1wpk n LYS 70 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1wpk h ARG 71 N 1.22 0.00 -0.76 -1.58 2.47 -1.98 0.49 114.38 114.24 1wpk h ARG 71 Ca 0.00 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.65 1wpk h ARG 71 Cb 0.42 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.70 1wpk h ARG 71 CO 0.00 0.00 0.08 0.00 0.56 0.00 0.00 179.97 180.61 1wpk n GLN 73 N 0.25 -3.60 -2.65 0.00 6.02 0.17 -4.46 117.38 113.10 1wpk n GLN 73 Ca 0.24 2.81 -0.43 0.00 -0.01 0.00 0.00 57.00 59.61 1wpk n GLN 73 Cb 1.00 -4.05 -0.01 0.00 1.02 0.00 0.00 30.24 28.20 1wpk n GLN 73 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1wpk s PRO 74 N -0.68 3.89 0.39 -1.09 0.04 -1.26 -4.95 135.00 131.36 1wpk s PRO 74 Ca -0.18 -1.88 0.04 0.00 0.04 0.00 0.00 61.00 59.02 1wpk s PRO 74 Cb 0.01 -5.39 -0.04 0.00 0.04 0.00 0.00 34.50 29.12 1wpk s PRO 74 CO 0.60 -2.14 0.06 -1.21 0.04 0.00 0.00 177.00 174.35 1wpk s GLU 75 N 3.90 1.87 0.00 4.56 2.02 -1.26 -5.17 118.70 124.62 1wpk s GLU 75 Ca 0.49 -2.11 0.00 0.00 0.02 0.00 0.00 54.97 53.38 1wpk s GLU 75 Cb 0.02 -1.01 0.00 0.00 0.10 0.00 0.00 34.13 33.24 1wpk s GLU 75 CO 0.02 -0.29 0.00 1.63 0.02 0.00 0.00 175.26 176.64 1wpk n LYS 76 N -0.89 2.59 -2.27 1.61 5.02 -1.26 -4.71 118.16 118.24 1wpk n LYS 76 Ca -0.07 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.90 1wpk n LYS 76 Cb 0.66 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.65 1wpk n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wpk s ALA 77 N -2.00 3.03 0.15 7.82 0.00 -1.26 -4.98 121.76 124.52 1wpk s ALA 77 Ca 0.00 0.16 0.01 0.00 0.00 0.00 0.00 51.96 52.13 1wpk s ALA 77 Cb 0.00 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 1wpk s ALA 77 CO 0.00 -0.37 0.01 -0.80 0.00 0.00 0.00 175.76 174.60 1wpk s ASN 78 N -3.21 0.88 0.00 0.00 -0.87 -1.26 -5.02 114.94 105.46 1wpk s ASN 78 Ca 0.59 -1.17 0.00 0.00 -1.57 0.00 0.00 52.86 50.71 1wpk s ASN 78 Cb -0.11 0.18 0.00 0.00 -0.02 0.00 0.00 41.25 41.30 1wpk s ASN 78 CO 0.35 -0.62 0.00 0.00 -2.57 0.00 0.00 177.10 174.27 1wpk n ALA 79 N -0.16 0.00 -1.31 0.60 0.00 -1.26 -4.98 120.51 113.40 1wpk n ALA 79 Ca -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.09 1wpk n ALA 79 Cb 0.63 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.11 1wpk n ALA 79 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1wpk n GLN 80 N -0.62 2.33 -3.93 0.00 6.02 -1.26 -4.89 117.38 115.03 1wpk n GLN 80 Ca 0.00 -2.51 -0.10 0.00 -0.01 0.00 0.00 57.00 54.38 1wpk n GLN 80 Cb 0.00 -2.02 -0.10 0.00 1.02 0.00 0.00 30.24 29.13 1wpk n GLN 80 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1wpk s GLN 81 N -2.68 0.42 -0.05 -1.09 -1.52 -1.26 -5.16 119.66 108.32 1wpk s GLN 81 Ca 0.50 -0.53 0.02 0.00 -1.95 0.00 0.00 55.36 53.40 1wpk s GLN 81 Cb 0.38 0.17 0.01 0.00 -0.22 0.00 0.00 33.01 33.35 1wpk s GLN 81 CO -0.12 -0.09 -0.09 -1.01 -0.25 0.00 0.00 175.29 173.73 1wpk s HIS 82 N -1.57 1.15 0.15 0.91 3.76 -1.26 -5.03 115.29 113.40 1wpk s HIS 82 Ca -0.14 -0.38 -0.06 0.00 -0.15 0.00 0.00 55.06 54.33 1wpk s HIS 82 Cb -0.08 -0.88 -0.02 0.00 1.11 0.00 0.00 32.58 32.72 1wpk s HIS 82 CO -0.00 -0.22 1.40 0.00 -0.85 0.00 0.00 174.74 175.07 1wpk h ARG 83 N 6.92 0.60 -0.06 1.40 3.08 -2.00 -2.88 114.38 121.45 1wpk h ARG 83 Ca -0.34 -0.46 -0.17 0.00 0.07 0.00 0.00 59.98 59.07 1wpk h ARG 83 Cb 1.17 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.30 1wpk h ARG 83 CO 0.48 1.09 -0.72 1.25 -1.07 0.00 0.00 179.97 180.99 1wpk h LEU 84 N 0.42 0.36 -1.11 3.04 6.46 -1.96 -2.83 115.31 119.69 1wpk h LEU 84 Ca -0.03 -0.24 -0.08 0.00 -0.12 0.00 0.00 57.88 57.41 1wpk h LEU 84 Cb 1.30 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 41.12 1wpk h LEU 84 CO 0.14 0.96 -0.25 -0.78 -0.62 0.00 0.00 178.44 177.88 1wpk h ASP 85 N 0.20 0.31 0.29 1.25 3.58 -1.97 -1.45 116.42 118.63 1wpk h ASP 85 Ca -0.03 -0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.31 1wpk h ASP 85 Cb 1.29 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.25 1wpk h ASP 85 CO 0.12 0.57 -0.14 0.11 -2.88 0.00 0.00 179.24 177.02 1wpk h LYS 86 N 0.28 -0.37 -0.76 0.28 1.57 -1.44 -2.80 116.57 113.33 1wpk h LYS 86 Ca 0.04 0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.93 1wpk h LYS 86 Cb 0.61 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.95 1wpk h LYS 86 CO 0.04 -0.08 0.50 -0.84 -0.57 0.00 0.00 179.45 178.51 1wpk h ILE 87 N -0.99 0.97 -0.87 1.86 -0.00 -1.53 -0.54 117.51 116.41 1wpk h ILE 87 Ca -0.04 -0.25 -0.03 0.00 -0.00 0.00 0.00 64.86 64.54 1wpk h ILE 87 Cb 0.46 0.18 -0.04 0.00 -0.00 0.00 0.00 36.82 37.42 1wpk h ILE 87 CO 0.06 0.13 0.44 0.74 -0.00 0.00 0.00 178.15 179.53 1wpk h THR 88 N 0.73 1.26 -0.19 0.16 2.02 -1.32 0.53 112.91 116.10 1wpk h THR 88 Ca 0.34 -0.70 -0.13 0.00 0.77 0.00 0.00 66.41 66.69 1wpk h THR 88 Cb 0.38 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1wpk h THR 88 CO -0.12 0.31 -0.43 0.45 0.37 0.00 0.00 175.52 176.09 1wpk h HIS 89 N 1.23 0.56 -0.16 3.16 3.86 -0.86 -2.81 115.15 120.13 1wpk h HIS 89 Ca 0.30 -0.17 -0.06 0.00 -1.16 0.00 0.00 60.37 59.29 1wpk h HIS 89 Cb 0.09 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.44 1wpk h HIS 89 CO 0.01 0.83 -0.12 0.00 0.86 0.00 0.00 177.93 179.51 1wpk h ALA 90 N 1.15 0.23 -0.93 2.45 0.00 -0.61 -0.68 119.26 120.86 1wpk h ALA 90 Ca 0.03 -0.30 0.07 0.00 0.00 0.00 0.00 54.91 54.71 1wpk h ALA 90 Cb 0.92 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 1wpk h ALA 90 CO 0.08 0.08 0.59 0.00 0.00 0.00 0.00 179.25 180.00 1wpk h ARG 92 N 1.05 0.10 -0.02 0.00 2.43 -1.46 -3.15 114.38 113.32 1wpk h ARG 92 Ca 0.42 -0.10 -0.10 0.00 -0.81 0.00 0.00 59.98 59.39 1wpk h ARG 92 Cb 0.23 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1wpk h ARG 92 CO -0.19 0.84 -0.44 1.25 -1.51 0.00 0.00 179.97 179.92 1wpk h LEU 93 N 0.06 0.05 -3.85 3.80 7.12 -0.00 -2.89 115.31 119.60 1wpk h LEU 93 Ca -0.02 -0.02 -0.55 0.00 0.13 0.00 0.00 57.88 57.41 1wpk h LEU 93 Cb 1.39 -0.01 -0.26 0.00 -0.53 0.00 0.00 40.66 41.25 1wpk h LEU 93 CO 0.11 0.49 0.71 -0.11 -0.13 0.00 0.00 178.44 179.51 1wpk n LEU 94 N -4.01 7.07 -4.36 2.25 0.00 -0.28 -4.82 117.00 112.84 1wpk n LEU 94 Ca -0.02 -3.84 -0.45 0.00 0.00 0.00 0.00 56.01 51.70 1wpk n LEU 94 Cb 0.47 -0.93 -0.01 0.00 0.00 0.00 0.00 43.42 42.95 1wpk n LEU 94 CO 0.40 1.27 0.78 -0.70 0.00 0.00 0.00 177.39 179.15 1wpk s GLU 95 N -3.24 3.97 0.07 1.96 2.12 -1.09 -4.98 118.70 117.51 1wpk s GLU 95 Ca 0.55 -2.80 -0.13 0.00 0.36 0.00 0.00 54.97 52.96 1wpk s GLU 95 Cb 0.44 -4.62 0.02 0.00 0.26 0.00 0.00 34.13 30.23 1wpk s GLU 95 CO 0.03 -1.37 0.29 -1.14 -0.54 0.00 0.00 175.26 172.53 1wpk s GLN 96 N -0.14 0.87 0.15 4.30 0.74 -1.26 -5.05 119.66 119.27 1wpk s GLN 96 Ca 0.29 -0.67 0.06 0.00 0.05 0.00 0.00 55.36 55.08 1wpk s GLN 96 Cb -0.09 0.37 -0.06 0.00 1.10 0.00 0.00 33.01 34.33 1wpk s GLN 96 CO -0.07 -0.29 1.35 1.49 -0.55 0.00 0.00 175.29 177.22 1wpk h GLU 97 N 2.92 0.07 -7.02 1.67 4.81 -2.04 -3.46 114.58 111.53 1wpk h GLU 97 Ca -0.33 -0.09 -0.46 0.00 -0.13 0.00 0.00 59.36 58.35 1wpk h GLU 97 Cb 1.21 0.03 0.05 0.00 0.63 0.00 0.00 28.75 30.67 1wpk h GLU 97 CO 0.49 0.94 0.10 0.95 -0.73 0.00 0.00 179.01 180.75 1wpk s THR 98 N -2.99 3.31 -0.23 0.32 -4.23 -1.26 -5.01 115.64 105.55 1wpk s THR 98 Ca -0.01 -0.26 -0.29 0.00 -1.18 0.00 0.00 61.69 59.96 1wpk s THR 98 Cb 0.10 -3.30 -0.03 0.00 1.34 0.00 0.00 72.50 70.61 1wpk s THR 98 CO 0.82 -0.28 1.72 -2.16 -0.54 0.00 0.00 174.62 174.17 1wpk s PRO 99 N -4.91 3.66 0.23 3.99 0.04 -1.26 -4.99 135.00 131.75 1wpk s PRO 99 Ca 0.54 1.67 -0.14 0.00 0.04 0.00 0.00 61.00 63.12 1wpk s PRO 99 Cb -0.10 -4.10 -0.08 0.00 0.04 0.00 0.00 34.50 30.26 1wpk s PRO 99 CO 0.42 -1.47 0.63 0.08 0.04 0.00 0.00 177.00 176.71 1wpk s VAL 100 N 5.76 4.78 0.24 -0.36 1.01 -1.26 -5.04 120.40 125.53 1wpk s VAL 100 Ca 0.76 0.84 -0.30 0.00 0.00 0.00 0.00 61.98 63.28 1wpk s VAL 100 Cb -0.26 -3.69 -0.10 0.00 0.00 0.00 0.00 36.38 32.34 1wpk s VAL 100 CO 0.31 0.03 1.38 -0.89 0.00 0.00 0.00 175.10 175.94 1wpk s THR 101 N -1.71 2.88 -0.02 3.92 2.01 -1.26 -4.95 115.64 116.51 1wpk s THR 101 Ca 0.46 0.74 -0.26 0.00 0.31 0.00 0.00 61.69 62.94 1wpk s THR 101 Cb -0.13 -3.47 -0.20 0.00 0.01 0.00 0.00 72.50 68.71 1wpk s THR 101 CO 0.20 0.12 1.26 0.25 -0.69 0.00 0.00 174.62 175.76 1wpk h LEU 102 N 5.05 -0.03 -2.15 4.42 5.85 -2.02 -3.07 115.31 123.37 1wpk h LEU 102 Ca -0.46 -0.45 0.04 0.00 0.84 0.00 0.00 57.88 57.85 1wpk h LEU 102 Cb 1.22 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 1wpk h LEU 102 CO 0.77 0.44 0.12 1.05 -0.34 0.00 0.00 178.44 180.47 1wpk h GLU 103 N -0.50 0.00 -0.35 1.25 4.11 -1.98 -1.96 114.58 115.15 1wpk h GLU 103 Ca -0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.48 1wpk h GLU 103 Cb 0.47 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 1wpk h GLU 103 CO 0.01 0.00 0.06 0.00 0.07 0.00 0.00 179.01 179.15 1wpk h ALA 104 N 1.90 0.37 -0.04 1.06 0.00 -1.93 0.51 119.26 121.11 1wpk h ALA 104 Ca 0.06 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1wpk h ALA 104 Cb 0.30 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1wpk h ALA 104 CO -0.00 -0.34 -0.12 -0.07 0.00 0.00 0.00 179.25 178.72 1wpk h LEU 105 N 0.18 0.06 -1.03 0.00 4.07 -1.43 0.13 115.31 117.29 1wpk h LEU 105 Ca 0.17 -0.01 -0.06 0.00 0.08 0.00 0.00 57.88 58.06 1wpk h LEU 105 Cb 0.20 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 1wpk h LEU 105 CO -0.23 0.19 -0.30 0.00 -1.08 0.00 0.00 178.44 177.02 1wpk h ALA 106 N 1.82 1.02 -0.19 1.53 0.00 -0.40 -2.85 119.26 120.19 1wpk h ALA 106 Ca 0.01 -0.27 -0.18 0.00 0.00 0.00 0.00 54.91 54.47 1wpk h ALA 106 Cb 0.25 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1wpk h ALA 106 CO 0.02 0.37 -0.62 0.22 0.00 0.00 0.00 179.25 179.24 1wpk h ASP 107 N 0.00 0.74 0.02 0.00 1.82 0.19 -0.64 116.42 118.55 1wpk h ASP 107 Ca -0.00 -0.42 -0.20 0.00 -0.39 0.00 0.00 57.03 56.02 1wpk h ASP 107 Cb 0.82 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.61 1wpk h ASP 107 CO 0.04 1.18 -0.70 -0.61 -1.61 0.00 0.00 179.24 177.53 1wpk h GLN 108 N 0.48 0.62 0.00 0.28 5.75 -1.38 -3.12 115.11 117.73 1wpk h GLN 108 Ca -0.01 -0.47 0.00 0.00 -0.15 0.00 0.00 58.65 58.02 1wpk h GLN 108 Cb 1.20 0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.84 1wpk h GLN 108 CO 0.12 1.09 -0.15 -0.39 -2.65 0.00 0.00 178.83 176.86 1wpk h VAL 109 N 0.44 0.00 -2.51 2.39 -1.51 -1.52 -3.47 116.25 110.07 1wpk h VAL 109 Ca -0.03 -0.69 -0.28 0.00 -1.23 0.00 0.00 66.70 64.47 1wpk h VAL 109 Cb 1.30 1.60 0.01 0.00 -2.13 0.00 0.00 31.29 32.07 1wpk h VAL 109 CO 0.13 0.00 -0.39 0.00 -1.23 0.00 0.00 177.57 176.09 1wpk n ALA 110 N -1.92 -0.52 -3.84 5.19 0.00 -0.29 -5.00 120.51 114.13 1wpk n ALA 110 Ca 0.04 0.15 -0.15 0.00 0.00 0.00 0.00 53.44 53.49 1wpk n ALA 110 Cb 0.47 -2.14 -0.05 0.00 0.00 0.00 0.00 19.45 17.74 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 -2.62 0.36 -3.35 0.00 2.81 -0.93 -5.05 117.12 108.34 1wpk n MET 111 Ca -0.13 -2.03 -0.24 0.00 -1.81 0.00 0.00 57.70 53.49 1wpk n MET 111 Cb 0.61 1.52 -0.01 0.00 -0.71 0.00 0.00 33.22 34.63 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 -2.43 6.29 0.66 7.83 0.01 -1.26 -4.61 113.70 120.19 1wpk s SER 112 Ca 0.21 0.46 0.32 0.00 1.31 0.00 0.00 55.95 58.26 1wpk s SER 112 Cb 0.01 -2.03 1.75 0.00 0.21 0.00 0.00 66.02 65.95 1wpk s SER 112 CO 0.15 -0.31 1.99 -0.65 0.41 0.00 0.00 173.24 174.83 1wpk h PRO 113 N 0.73 0.00 -0.10 12.44 0.11 -1.94 -0.13 132.00 143.11 1wpk h PRO 113 Ca -0.50 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.39 1wpk h PRO 113 Cb 1.22 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.34 1wpk h PRO 113 CO 0.61 0.00 -0.83 0.35 -0.21 0.00 0.00 178.00 177.92 1wpk h PHE 114 N 0.00 0.92 -0.20 0.65 3.57 -1.99 -1.79 116.94 118.09 1wpk h PHE 114 Ca 0.01 -0.43 -0.15 0.00 3.53 0.00 0.00 57.97 60.93 1wpk h PHE 114 Cb 0.58 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 1wpk h PHE 114 CO 0.00 1.25 -0.50 1.25 -2.23 0.00 0.00 178.31 178.07 1wpk h HIS 115 N 0.43 0.66 -0.14 0.41 2.76 -1.40 -2.69 115.15 115.19 1wpk h HIS 115 Ca -0.06 -0.22 -0.19 0.00 -2.20 0.00 0.00 60.37 57.70 1wpk h HIS 115 Cb 1.45 -0.13 0.01 0.00 1.55 0.00 0.00 27.41 30.29 1wpk h HIS 115 CO 0.08 0.93 -0.66 1.25 -1.30 0.00 0.00 177.93 178.23 1wpk h LEU 116 N 0.42 0.82 0.25 0.26 6.46 -1.53 -2.51 115.31 119.49 1wpk h LEU 116 Ca 0.02 -0.63 -0.01 0.00 -0.12 0.00 0.00 57.88 57.14 1wpk h LEU 116 Cb 1.03 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.71 1wpk h LEU 116 CO 0.09 1.31 -0.17 -0.74 -0.62 0.00 0.00 178.44 178.32 1wpk h HIS 117 N 0.37 -0.45 -0.68 1.25 2.76 -1.32 0.56 115.15 117.66 1wpk h HIS 117 Ca -0.04 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.13 1wpk h HIS 117 Cb 1.29 0.16 -0.03 0.00 1.55 0.00 0.00 27.41 30.38 1wpk h HIS 117 CO 0.10 -0.27 0.45 0.00 -1.30 0.00 0.00 177.93 176.91 1wpk h ARG 118 N -0.42 0.88 -0.25 5.26 2.47 -1.56 0.44 114.38 121.20 1wpk h ARG 118 Ca -0.02 -0.05 -0.12 0.00 -1.26 0.00 0.00 59.98 58.53 1wpk h ARG 118 Cb 0.36 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.47 1wpk h ARG 118 CO 0.01 0.58 -0.33 1.25 0.56 0.00 0.00 179.97 182.04 1wpk h LEU 119 N 0.91 0.56 -0.14 3.04 5.85 -1.21 -0.10 115.31 124.21 1wpk h LEU 119 Ca 0.25 -0.22 -0.23 0.00 0.84 0.00 0.00 57.88 58.52 1wpk h LEU 119 Cb -0.09 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 40.80 1wpk h LEU 119 CO -0.06 0.85 -0.90 0.15 -0.34 0.00 0.00 178.44 178.14 1wpk h PHE 120 N 0.46 0.91 -0.00 1.25 3.04 0.68 -2.57 116.94 120.71 1wpk h PHE 120 Ca 0.05 -0.45 -0.15 0.00 3.98 0.00 0.00 57.97 61.41 1wpk h PHE 120 Cb 0.80 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 39.17 1wpk h PHE 120 CO 0.03 1.27 -0.69 -0.22 -2.02 0.00 0.00 178.31 176.68 1wpk h LYS 121 N 0.40 0.01 0.00 1.11 3.64 -0.04 0.49 116.57 122.18 1wpk h LYS 121 Ca -0.08 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.14 1wpk h LYS 121 Cb 1.53 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.33 1wpk h LYS 121 CO 0.17 0.70 -0.70 0.00 -2.27 0.00 0.00 179.45 177.35 1wpk h ALA 122 N 1.30 0.76 0.00 5.00 0.00 -1.02 -2.55 119.26 122.75 1wpk h ALA 122 Ca -0.01 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1wpk h ALA 122 Cb 1.23 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1wpk h ALA 122 CO 0.09 0.88 -0.29 2.41 0.00 0.00 0.00 179.25 182.34 1wpk n THR 123 N -3.59 0.44 -0.00 0.00 -1.04 -0.97 -4.75 114.28 104.37 1wpk n THR 123 Ca -0.00 0.39 -0.17 0.00 -2.04 0.00 0.00 64.05 62.23 1wpk n THR 123 Cb 0.71 -1.75 -0.10 0.00 -1.82 0.00 0.00 70.33 67.38 1wpk n THR 123 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1wpk h THR 124 N -0.29 1.37 -3.14 12.58 2.02 -0.43 -3.48 112.91 121.53 1wpk h THR 124 Ca 0.00 -2.01 -0.15 0.00 0.77 0.00 0.00 66.41 65.01 1wpk h THR 124 Cb 0.29 2.39 0.06 0.00 -1.74 0.00 0.00 68.15 69.15 1wpk h THR 124 CO 0.00 0.60 -0.29 0.61 0.37 0.00 0.00 175.52 176.81 1wpk n GLY 125 N 0.93 0.27 3.24 2.16 0.00 0.91 -4.96 105.19 107.75 1wpk n GLY 125 Ca -0.09 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 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 -5.19 0.39 0.61 1.61 -1.94 -1.26 -4.97 119.30 108.56 1wpk s MET 126 Ca 0.15 0.61 -0.12 0.00 -1.71 0.00 0.00 55.69 54.62 1wpk s MET 126 Cb -0.07 0.10 -0.04 0.00 2.01 0.00 0.00 34.83 36.82 1wpk s MET 126 CO 0.29 -0.10 1.03 0.95 -0.01 0.00 0.00 175.02 177.18 1wpk s THR 127 N 0.71 4.69 0.56 2.05 -4.23 -1.26 -4.70 115.64 113.45 1wpk s THR 127 Ca -0.04 0.92 0.25 0.00 -1.18 0.00 0.00 61.69 61.63 1wpk s THR 127 Cb -0.05 -3.85 0.33 0.00 1.34 0.00 0.00 72.50 70.27 1wpk s THR 127 CO -0.05 -1.10 2.16 1.55 -0.54 0.00 0.00 174.62 176.64 1wpk h PRO 128 N -0.18 0.00 0.00 3.99 0.13 -2.01 -0.74 132.00 133.19 1wpk h PRO 128 Ca -0.44 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.51 1wpk h PRO 128 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1wpk h PRO 128 CO 0.62 0.00 -0.83 -0.22 -0.23 0.00 0.00 178.00 177.34 1wpk h LYS 129 N 0.00 0.06 -0.27 0.86 3.64 -2.01 -3.14 116.57 115.71 1wpk h LYS 129 Ca 0.05 -0.07 -0.17 0.00 -1.27 0.00 0.00 60.65 59.20 1wpk h LYS 129 Cb 0.23 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1wpk h LYS 129 CO -0.00 0.85 -0.48 0.00 -2.27 0.00 0.00 179.45 177.55 1wpk h ALA 130 N 1.13 0.42 -0.96 5.00 0.00 -1.51 -2.89 119.26 120.45 1wpk h ALA 130 Ca -0.02 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1wpk h ALA 130 Cb 1.45 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.12 1wpk h ALA 130 CO 0.11 0.58 0.61 -1.49 0.00 0.00 0.00 179.25 179.07 1wpk h TRP 131 N 0.55 1.23 -0.60 0.00 4.06 -1.51 0.15 115.95 119.83 1wpk h TRP 131 Ca 0.02 0.02 -0.06 0.00 2.06 0.00 0.00 58.89 60.92 1wpk h TRP 131 Cb 1.09 -0.41 -0.03 0.00 -1.00 0.00 0.00 29.16 28.81 1wpk h TRP 131 CO 0.08 0.79 0.12 1.96 -3.56 0.00 0.00 178.44 177.82 1wpk h GLN 132 N 1.31 0.96 -0.01 0.49 7.50 -1.52 0.11 115.11 123.94 1wpk h GLN 132 Ca 0.35 -0.23 -0.19 0.00 0.50 0.00 0.00 58.65 59.08 1wpk h GLN 132 Cb -0.12 -0.13 -0.01 0.00 0.05 0.00 0.00 27.48 27.28 1wpk h GLN 132 CO -0.07 0.88 -0.83 0.37 -1.50 0.00 0.00 178.83 177.67 1wpk h GLN 133 N 0.91 0.24 -0.13 1.46 5.75 -1.19 -2.87 115.11 119.27 1wpk h GLN 133 Ca 0.19 -0.24 -0.23 0.00 -0.15 0.00 0.00 58.65 58.23 1wpk h GLN 133 Cb 0.37 0.06 0.01 0.00 1.07 0.00 0.00 27.48 28.99 1wpk h GLN 133 CO 0.01 0.94 -0.80 0.00 -2.65 0.00 0.00 178.83 176.32 1wpk h ALA 134 N 0.98 0.32 -0.38 3.38 0.00 -0.42 -2.65 119.26 120.49 1wpk h ALA 134 Ca -0.04 -0.61 -0.07 0.00 0.00 0.00 0.00 54.91 54.19 1wpk h ALA 134 Cb 1.43 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1wpk h ALA 134 CO 0.13 0.69 -0.04 2.35 0.00 0.00 0.00 179.25 182.38 1wpk h TRP 135 N 0.50 0.65 -0.03 0.00 7.01 -0.83 -1.80 115.95 121.44 1wpk h TRP 135 Ca -0.06 -0.09 -0.15 0.00 2.11 0.00 0.00 58.89 60.71 1wpk h TRP 135 Cb 1.43 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 28.30 1wpk h TRP 135 CO 0.08 0.65 -0.65 -0.09 -2.79 0.00 0.00 178.44 175.65 1wpk h ARG 136 N 0.58 0.13 -0.13 2.65 1.12 -1.50 -1.92 114.38 115.31 1wpk h ARG 136 Ca 0.11 -0.10 -0.18 0.00 -1.11 0.00 0.00 59.98 58.70 1wpk h ARG 136 Cb 0.43 0.02 -0.00 0.00 -0.01 0.00 0.00 29.97 30.40 1wpk h ARG 136 CO 0.02 0.73 -0.68 0.00 -3.11 0.00 0.00 179.97 176.93 1wpk h ALA 137 N 1.24 0.58 -0.00 2.80 0.00 -1.08 -2.81 119.26 119.99 1wpk h ALA 137 Ca -0.01 -0.57 -0.20 0.00 0.00 0.00 0.00 54.91 54.13 1wpk h ALA 137 Cb 1.16 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1wpk h ALA 137 CO 0.09 0.72 -0.86 0.00 0.00 0.00 0.00 179.25 179.21 1wpk h ARG 138 N 0.37 0.21 -0.21 0.00 2.47 -1.29 -2.86 114.38 113.07 1wpk h ARG 138 Ca -0.02 -0.22 -0.09 0.00 -1.26 0.00 0.00 59.98 58.38 1wpk h ARG 138 Cb 1.25 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 29.62 1wpk h ARG 138 CO 0.12 0.95 -0.26 -0.09 0.56 0.00 0.00 179.97 181.25 1wpk h ARG 139 N 0.12 0.39 -0.12 0.04 9.65 -1.33 -2.54 114.38 120.60 1wpk h ARG 139 Ca -0.04 -0.14 -0.23 0.00 -1.10 0.00 0.00 59.98 58.46 1wpk h ARG 139 Cb 1.48 -0.02 0.01 0.00 -1.39 0.00 0.00 29.97 30.05 1wpk h ARG 139 CO 0.13 0.63 -0.83 -0.07 2.80 0.00 0.00 179.97 182.63 1wpk h LEU 140 N 0.35 0.91 -1.40 3.80 4.07 -1.48 -2.53 115.31 119.02 1wpk h LEU 140 Ca 0.05 -0.63 -0.03 0.00 0.08 0.00 0.00 57.88 57.35 1wpk h LEU 140 Cb 0.65 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 42.10 1wpk h LEU 140 CO 0.05 1.43 0.07 -0.09 -1.08 0.00 0.00 178.44 178.81 1wpk h ARG 141 N 0.50 0.46 0.00 1.13 2.43 -1.35 -2.21 114.38 115.35 1wpk h ARG 141 Ca -0.07 -0.07 -0.19 0.00 -0.81 0.00 0.00 59.98 58.85 1wpk h ARG 141 Cb 1.46 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.91 1wpk h ARG 141 CO 0.17 0.44 -0.88 1.49 -1.51 0.00 0.00 179.97 179.68 1wpk h GLU 142 N 0.46 0.02 -2.93 0.20 4.81 -1.44 -3.50 114.58 112.21 1wpk h GLU 142 Ca 0.11 -0.03 0.35 0.00 -0.13 0.00 0.00 59.36 59.66 1wpk h GLU 142 Cb 0.20 0.01 -0.10 0.00 0.63 0.00 0.00 28.75 29.49 1wpk h GLU 142 CO -0.00 0.88 -0.55 0.43 -0.73 0.00 0.00 179.01 179.04 1wpk n SER 143 N -3.52 -7.76 -2.72 1.04 7.64 -0.83 -4.87 113.62 102.59 1wpk n SER 143 Ca -0.01 0.61 -0.22 0.00 1.01 0.00 0.00 58.87 60.26 1wpk n SER 143 Cb 0.83 -4.00 0.02 0.00 -1.01 0.00 0.00 64.21 60.04 1wpk n SER 143 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1wpk n LEU 144 N -3.97 -2.38 -4.55 -3.43 4.32 -1.26 -4.91 117.00 100.82 1wpk n LEU 144 Ca -0.00 -0.17 -0.41 0.00 -0.02 0.00 0.00 56.01 55.41 1wpk n LEU 144 Cb 0.60 -2.95 -0.03 0.00 -1.62 0.00 0.00 43.42 39.42 1wpk n LEU 144 CO 0.01 0.04 1.17 0.00 -1.22 0.00 0.00 177.39 177.40 1wpk s ALA 145 N -3.12 2.76 0.00 -1.18 0.00 -1.26 -5.20 121.76 113.76 1wpk s ALA 145 Ca 0.17 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 50.69 1wpk s ALA 145 Cb -0.08 -4.26 0.00 0.00 0.00 0.00 0.00 23.12 18.78 1wpk s ALA 145 CO 0.22 -3.29 0.00 1.17 0.00 0.00 0.00 175.76 173.85