#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wpb s GLU 4 N 0.00 1.86 0.60 -1.09 -1.05 -1.26 -5.10 118.70 112.67 1wpb s GLU 4 Ca 0.00 -1.91 -0.18 0.00 -0.15 0.00 0.00 54.97 52.73 1wpb s GLU 4 Cb 0.00 -1.74 -0.03 0.00 -0.44 0.00 0.00 34.13 31.92 1wpb s GLU 4 CO 0.00 0.14 1.18 0.45 0.95 0.00 0.00 175.26 177.98 1wpb s SER 5 N -3.63 5.21 0.52 0.83 0.15 -1.26 -4.91 113.70 110.61 1wpb s SER 5 Ca 0.33 2.30 0.17 0.00 0.70 0.00 0.00 55.95 59.46 1wpb s SER 5 Cb 0.02 -2.59 1.30 0.00 -1.71 0.00 0.00 66.02 63.04 1wpb s SER 5 CO 0.17 -1.58 2.14 0.71 1.20 0.00 0.00 173.24 175.88 1wpb h THR 6 N 0.77 0.96 0.00 6.45 1.35 -1.97 -1.84 112.91 118.63 1wpb h THR 6 Ca -0.50 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1wpb h THR 6 Cb 1.29 0.98 -0.00 0.00 -1.73 0.00 0.00 68.15 68.68 1wpb h THR 6 CO 0.55 0.00 -0.01 0.24 -0.25 0.00 0.00 175.52 176.04 1wpb h MET 7 N 0.00 0.00 -0.02 4.72 2.86 -1.91 -1.56 114.93 119.01 1wpb h MET 7 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1wpb h MET 7 Cb 0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1wpb h MET 7 CO -0.00 0.01 0.00 0.39 1.06 0.00 0.00 176.91 178.37 1wpb n GLU 8 N -4.20 1.32 -1.84 1.72 1.02 -0.69 -4.96 120.64 113.01 1wpb n GLU 8 Ca -0.03 -0.47 -0.35 0.00 -0.02 0.00 0.00 57.16 56.29 1wpb n GLU 8 Cb 0.10 -1.46 0.05 0.00 -0.02 0.00 0.00 31.44 30.11 1wpb n GLU 8 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wpb s MET 9 N -1.98 2.77 0.78 3.49 0.23 -0.59 -4.99 119.30 119.00 1wpb s MET 9 Ca 0.41 1.67 -0.12 0.00 -1.03 0.00 0.00 55.69 56.62 1wpb s MET 9 Cb 0.20 -1.92 0.06 0.00 -1.53 0.00 0.00 34.83 31.64 1wpb s MET 9 CO 0.33 -1.33 1.15 0.95 -2.03 0.00 0.00 175.02 174.10 1wpb s THR 10 N -1.90 2.42 0.33 3.16 -4.23 -1.26 -4.86 115.64 109.30 1wpb s THR 10 Ca 0.73 0.13 0.04 0.00 -1.18 0.00 0.00 61.69 61.41 1wpb s THR 10 Cb -0.27 -3.13 0.16 0.00 1.34 0.00 0.00 72.50 70.60 1wpb s THR 10 CO 0.37 -0.17 1.87 0.78 -0.54 0.00 0.00 174.62 176.93 1wpb h ASN 11 N -0.94 0.52 -0.44 3.99 2.35 -1.99 -1.08 115.58 118.00 1wpb h ASN 11 Ca -0.46 -0.10 0.04 0.00 -0.55 0.00 0.00 56.30 55.23 1wpb h ASN 11 Cb 1.31 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 39.50 1wpb h ASN 11 CO 0.65 0.58 0.22 0.00 -1.65 0.00 0.00 177.43 177.24 1wpb h ALA 12 N 1.49 0.55 -0.60 -0.83 0.00 -1.99 -0.87 119.26 117.00 1wpb h ALA 12 Ca 0.12 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1wpb h ALA 12 Cb 0.32 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1wpb h ALA 12 CO 0.01 -0.13 0.23 1.96 0.00 0.00 0.00 179.25 181.31 1wpb h GLN 13 N 0.44 0.87 -0.50 0.00 4.20 -1.79 0.14 115.11 118.47 1wpb h GLN 13 Ca 0.19 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 1wpb h GLN 13 Cb 0.10 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1wpb h GLN 13 CO -0.13 0.72 0.30 0.00 -0.67 0.00 0.00 178.83 179.05 1wpb h ARG 14 N 0.86 0.68 -0.34 1.46 2.47 -0.74 -1.00 114.38 117.77 1wpb h ARG 14 Ca 0.20 -0.06 -0.02 0.00 -1.26 0.00 0.00 59.98 58.84 1wpb h ARG 14 Cb 0.18 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.35 1wpb h ARG 14 CO -0.02 0.50 0.14 1.25 0.56 0.00 0.00 179.97 182.40 1wpb h LEU 15 N 0.67 0.48 -0.40 3.04 5.85 -0.76 -0.57 115.31 123.62 1wpb h LEU 15 Ca 0.18 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.80 1wpb h LEU 15 Cb -0.01 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 40.84 1wpb h LEU 15 CO -0.03 0.51 0.04 0.40 -0.34 0.00 0.00 178.44 179.02 1wpb h ILE 16 N 0.41 0.74 -0.16 4.05 2.04 -0.82 -0.23 117.51 123.54 1wpb h ILE 16 Ca 0.11 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 1wpb h ILE 16 Cb 0.19 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1wpb h ILE 16 CO -0.01 0.03 0.06 -0.07 0.00 0.00 0.00 178.15 178.16 1wpb h LEU 17 N 0.15 0.23 -0.79 1.44 3.38 -1.07 -1.67 115.31 116.98 1wpb h LEU 17 Ca 0.19 -0.18 0.07 0.00 0.09 0.00 0.00 57.88 58.05 1wpb h LEU 17 Cb 0.26 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 1wpb h LEU 17 CO -0.29 0.35 0.46 -1.28 0.09 0.00 0.00 178.44 177.77 1wpb h SER 18 N 0.10 0.68 -0.73 -0.43 0.87 -0.90 -0.85 113.55 112.30 1wpb h SER 18 Ca 0.05 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.61 1wpb h SER 18 Cb 0.20 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.02 1wpb h SER 18 CO -0.00 0.42 0.31 0.78 -0.53 0.00 0.00 176.83 177.80 1wpb h ASN 19 N 0.81 0.99 -0.86 6.23 2.35 -0.90 -2.06 115.58 122.14 1wpb h ASN 19 Ca 0.36 -0.16 -0.03 0.00 -0.55 0.00 0.00 56.30 55.92 1wpb h ASN 19 Cb 0.25 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 1wpb h ASN 19 CO -0.21 0.88 0.42 1.56 -1.65 0.00 0.00 177.43 178.43 1wpb h GLN 20 N 1.04 1.24 -0.20 0.81 4.20 -0.26 -0.19 115.11 121.74 1wpb h GLN 20 Ca 0.24 -0.18 -0.06 0.00 0.06 0.00 0.00 58.65 58.72 1wpb h GLN 20 Cb 0.18 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1wpb h GLN 20 CO -0.02 0.94 -0.14 1.88 -0.67 0.00 0.00 178.83 180.82 1wpb h TYR 21 N 1.23 0.35 -0.33 2.96 0.05 -0.83 0.20 116.97 120.60 1wpb h TYR 21 Ca 0.30 -0.05 -0.05 0.00 0.05 0.00 0.00 58.73 58.98 1wpb h TYR 21 Cb 0.11 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.74 1wpb h TYR 21 CO 0.01 0.46 0.00 0.87 -1.05 0.00 0.00 178.16 178.46 1wpb h LYS 22 N 0.31 0.58 -0.48 4.88 1.57 -1.02 -2.20 116.57 120.21 1wpb h LYS 22 Ca 0.06 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.56 1wpb h LYS 22 Cb 0.43 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1wpb h LYS 22 CO 0.03 0.71 -0.07 0.52 -0.57 0.00 0.00 179.45 180.07 1wpb h MET 23 N 0.39 0.85 -0.64 3.15 2.86 -0.54 -2.11 114.93 118.89 1wpb h MET 23 Ca 0.09 -0.27 -0.08 0.00 -2.06 0.00 0.00 59.70 57.38 1wpb h MET 23 Cb 0.45 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 1wpb h MET 23 CO 0.02 0.89 0.08 0.52 1.06 0.00 0.00 176.91 179.48 1wpb h MET 24 N 0.77 1.08 -0.60 1.72 2.86 -0.59 -0.91 114.93 119.26 1wpb h MET 24 Ca 0.14 -0.30 0.05 0.00 -2.06 0.00 0.00 59.70 57.53 1wpb h MET 24 Cb 0.56 -0.12 -0.05 0.00 0.06 0.00 0.00 31.60 32.05 1wpb h MET 24 CO 0.03 1.01 0.32 1.15 1.06 0.00 0.00 176.91 180.49 1wpb h THR 25 N 1.00 0.96 -0.65 2.22 2.02 -1.23 0.30 112.91 117.52 1wpb h THR 25 Ca 0.19 -0.21 0.07 0.00 0.77 0.00 0.00 66.41 67.24 1wpb h THR 25 Cb 0.47 0.30 -0.06 0.00 -1.74 0.00 0.00 68.15 67.12 1wpb h THR 25 CO 0.02 0.11 0.33 0.24 0.37 0.00 0.00 175.52 176.59 1wpb h MET 26 N 0.61 0.57 0.00 6.66 2.86 -0.86 -2.38 114.93 122.39 1wpb h MET 26 Ca 0.27 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.77 1wpb h MET 26 Cb 0.17 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 1wpb h MET 26 CO -0.17 0.38 -0.88 -0.07 1.06 0.00 0.00 176.91 177.22 1wpb h LEU 27 N 0.59 0.00 -5.99 1.22 3.38 -0.90 -3.40 115.31 110.22 1wpb h LEU 27 Ca 0.31 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.78 1wpb h LEU 27 Cb 0.27 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.62 1wpb h LEU 27 CO -0.22 0.40 -1.17 -0.67 0.09 0.00 0.00 178.44 176.87 1wpb n ASP 28 N -2.99 0.79 0.25 -0.43 2.03 0.10 -4.98 116.55 111.33 1wpb n ASP 28 Ca -0.03 -2.96 0.17 0.00 0.52 0.00 0.00 54.79 52.49 1wpb n ASP 28 Cb 0.72 -0.62 0.83 0.00 -0.72 0.00 0.00 41.12 41.33 1wpb n ASP 28 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1wpb h PRO 29 N 3.21 0.00 0.00 -0.67 0.13 -1.62 -1.00 132.00 132.05 1wpb h PRO 29 Ca 0.10 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.17 1wpb h PRO 29 Cb 0.94 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 1wpb h PRO 29 CO 0.50 0.00 -0.26 0.00 -0.23 0.00 0.00 178.00 178.01 1wpb h ALA 30 N 2.04 1.11 -0.81 -0.56 0.00 -1.94 -2.50 119.26 116.61 1wpb h ALA 30 Ca 0.00 -0.24 -0.32 0.00 0.00 0.00 0.00 54.91 54.35 1wpb h ALA 30 Cb 0.20 -0.04 -0.19 0.00 0.00 0.00 0.00 17.79 17.76 1wpb h ALA 30 CO 0.00 0.33 0.40 0.09 0.00 0.00 0.00 179.25 180.08 1wpb n ASN 31 N -3.57 4.36 -0.34 0.00 3.02 -0.38 -4.69 115.26 113.66 1wpb n ASN 31 Ca -0.01 -3.30 0.11 0.00 -0.03 0.00 0.00 54.58 51.35 1wpb n ASN 31 Cb 0.41 -0.77 0.31 0.00 -0.61 0.00 0.00 39.78 39.12 1wpb n ASN 31 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wpb h ALA 32 N 2.07 1.68 -0.32 5.41 0.00 -1.53 -2.25 119.26 124.31 1wpb h ALA 32 Ca 0.39 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.39 1wpb h ALA 32 Cb 2.48 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 20.10 1wpb h ALA 32 CO 0.85 0.01 0.08 1.49 0.00 0.00 0.00 179.25 181.68 1wpb h GLU 33 N 0.81 0.19 -0.43 0.00 4.81 -1.86 0.25 114.58 118.35 1wpb h GLU 33 Ca 0.53 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.74 1wpb h GLU 33 Cb 0.76 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 1wpb h GLU 33 CO -0.30 0.13 0.26 -0.09 -0.73 0.00 0.00 179.01 178.27 1wpb h ARG 34 N 0.20 0.59 -0.07 1.92 2.43 -1.79 -1.50 114.38 116.15 1wpb h ARG 34 Ca 0.15 -0.05 -0.21 0.00 -0.81 0.00 0.00 59.98 59.06 1wpb h ARG 34 Cb 0.15 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1wpb h ARG 34 CO -0.18 0.43 -0.81 1.88 -1.51 0.00 0.00 179.97 179.78 1wpb h TYR 35 N 0.57 0.71 -0.57 2.20 0.05 -1.23 -2.74 116.97 115.97 1wpb h TYR 35 Ca 0.15 -0.33 -0.08 0.00 0.05 0.00 0.00 58.73 58.52 1wpb h TYR 35 Cb -0.00 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 37.61 1wpb h TYR 35 CO -0.03 1.12 0.05 -0.09 -1.05 0.00 0.00 178.16 178.16 1wpb h ARG 36 N 0.33 0.97 -0.23 4.88 9.65 -0.43 -0.54 114.38 129.01 1wpb h ARG 36 Ca -0.05 -0.28 0.04 0.00 -1.10 0.00 0.00 59.98 58.59 1wpb h ARG 36 Cb 1.41 -0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 29.85 1wpb h ARG 36 CO 0.15 0.95 -0.02 -0.09 2.80 0.00 0.00 179.97 183.75 1wpb h ARG 37 N 0.86 0.05 -0.64 0.20 2.43 -1.24 -0.73 114.38 115.30 1wpb h ARG 37 Ca 0.17 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.25 1wpb h ARG 37 Cb 0.48 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1wpb h ARG 37 CO 0.02 0.03 0.06 -0.07 -1.51 0.00 0.00 179.97 178.50 1wpb h LEU 38 N 0.05 1.06 -0.84 3.80 3.38 -1.29 -1.89 115.31 119.58 1wpb h LEU 38 Ca 0.11 -0.28 0.06 0.00 0.09 0.00 0.00 57.88 57.86 1wpb h LEU 38 Cb 0.15 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 1wpb h LEU 38 CO -0.20 1.08 0.52 -0.61 0.09 0.00 0.00 178.44 179.33 1wpb h GLN 39 N 1.01 0.93 -0.18 1.13 4.15 -0.88 -1.41 115.11 119.86 1wpb h GLN 39 Ca 0.19 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.56 1wpb h GLN 39 Cb 0.50 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 1wpb h GLN 39 CO 0.02 0.61 0.12 1.15 -1.93 0.00 0.00 178.83 178.80 1wpb h THR 40 N 0.95 1.06 -0.78 2.39 2.02 -0.64 -0.27 112.91 117.64 1wpb h THR 40 Ca 0.37 -0.11 0.03 0.00 0.77 0.00 0.00 66.41 67.47 1wpb h THR 40 Cb 0.16 0.81 -0.05 0.00 -1.74 0.00 0.00 68.15 67.33 1wpb h THR 40 CO -0.17 0.05 0.49 0.40 0.37 0.00 0.00 175.52 176.66 1wpb h ILE 41 N 0.24 1.10 0.05 3.11 2.04 -0.98 0.10 117.51 123.17 1wpb h ILE 41 Ca 0.07 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 1wpb h ILE 41 Cb -0.01 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.14 1wpb h ILE 41 CO -0.01 0.17 -0.02 0.40 0.00 0.00 0.00 178.15 178.69 1wpb h ILE 42 N 0.95 1.30 -0.43 -0.67 1.08 -1.06 -0.24 117.51 118.45 1wpb h ILE 42 Ca 0.31 -1.37 0.02 0.00 -0.39 0.00 0.00 64.86 63.44 1wpb h ILE 42 Cb 0.03 2.18 -0.03 0.00 -3.07 0.00 0.00 36.82 35.93 1wpb h ILE 42 CO -0.12 0.33 0.26 -0.33 -0.69 0.00 0.00 178.15 177.60 1wpb h GLU 43 N -0.70 0.51 0.00 2.37 5.08 -0.96 -2.78 114.58 118.11 1wpb h GLU 43 Ca -0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1wpb h GLU 43 Cb 0.60 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1wpb h GLU 43 CO 0.01 0.34 0.00 0.54 -1.00 0.00 0.00 179.01 178.90 1wpb n ARG 44 N -4.84 0.22 -3.19 2.33 1.74 0.34 -4.96 116.66 108.30 1wpb n ARG 44 Ca 0.02 0.19 -0.15 0.00 -0.77 0.00 0.00 57.85 57.14 1wpb n ARG 44 Cb 0.06 -1.76 0.07 0.00 -1.02 0.00 0.00 32.46 29.81 1wpb n ARG 44 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wpb n GLY 45 N 1.27 -0.18 3.56 -0.13 0.00 -0.18 -4.89 105.19 104.63 1wpb n GLY 45 Ca 0.06 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1wpb n GLY 45 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wpb s TYR 46 N -3.26 1.89 0.39 1.61 2.02 -0.73 -4.86 117.35 114.41 1wpb s TYR 46 Ca 0.17 0.55 0.09 0.00 -0.37 0.00 0.00 57.07 57.51 1wpb s TYR 46 Cb -0.08 -4.26 0.80 0.00 -0.40 0.00 0.00 41.96 38.03 1wpb s TYR 46 CO 0.56 -2.24 1.94 0.78 -1.57 0.00 0.00 175.55 175.02 1wpb h GLY 47 N 15.06 0.33 0.66 0.71 0.00 -1.90 -1.03 103.07 116.90 1wpb h GLY 47 Ca -0.27 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 1wpb h GLY 47 CO 1.22 0.17 -0.01 -2.00 0.00 0.00 0.00 176.54 175.92 1wpb h LEU 48 N 0.30 -0.03 -1.05 3.11 5.85 -2.00 -2.09 115.31 119.40 1wpb h LEU 48 Ca 0.07 -0.32 -0.09 0.00 0.84 0.00 0.00 57.88 58.37 1wpb h LEU 48 Cb 0.28 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1wpb h LEU 48 CO 0.01 0.31 -0.32 1.56 -0.34 0.00 0.00 178.44 179.66 1wpb h GLN 49 N -0.37 0.27 -0.79 1.25 7.50 -1.87 -2.11 115.11 118.99 1wpb h GLN 49 Ca -0.00 -0.11 0.02 0.00 0.50 0.00 0.00 58.65 59.06 1wpb h GLN 49 Cb 0.35 -0.01 -0.05 0.00 0.05 0.00 0.00 27.48 27.82 1wpb h GLN 49 CO 0.01 0.57 0.51 0.52 -1.50 0.00 0.00 178.83 178.94 1wpb h MET 50 N 0.24 0.98 -0.79 1.46 2.86 -1.11 -0.88 114.93 117.69 1wpb h MET 50 Ca 0.03 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.57 1wpb h MET 50 Cb 0.69 -0.22 -0.04 0.00 0.06 0.00 0.00 31.60 32.09 1wpb h MET 50 CO 0.05 0.65 0.32 -0.09 1.06 0.00 0.00 176.91 178.90 1wpb h ARG 51 N 1.01 1.17 -0.35 1.72 2.43 -0.86 -1.87 114.38 117.63 1wpb h ARG 51 Ca 0.31 -0.20 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 1wpb h ARG 51 Cb -0.03 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.31 1wpb h ARG 51 CO -0.10 0.94 0.04 0.93 -1.51 0.00 0.00 179.97 180.27 1wpb h GLU 52 N 1.14 0.54 -0.73 0.20 5.08 -0.82 -1.41 114.58 118.59 1wpb h GLU 52 Ca 0.26 -0.10 0.03 0.00 -1.00 0.00 0.00 59.36 58.55 1wpb h GLU 52 Cb 0.20 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 1wpb h GLU 52 CO -0.02 0.53 0.46 -0.07 -1.00 0.00 0.00 179.01 178.91 1wpb h LEU 53 N 0.52 0.75 -1.18 1.33 3.38 -0.39 -2.76 115.31 116.96 1wpb h LEU 53 Ca 0.12 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.30 1wpb h LEU 53 Cb 0.28 -0.16 -0.10 0.00 0.09 0.00 0.00 40.66 40.77 1wpb h LEU 53 CO 0.00 0.51 0.62 0.44 0.09 0.00 0.00 178.44 180.11 1wpb h ASP 54 N 0.89 0.63 0.81 -0.43 3.32 -0.69 -1.51 116.42 119.44 1wpb h ASP 54 Ca 0.29 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.43 1wpb h ASP 54 Cb 0.03 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1wpb h ASP 54 CO -0.11 0.20 0.00 0.54 -1.72 0.00 0.00 179.24 178.15 1wpb n ARG 55 N -4.70 0.08 0.00 3.56 5.12 -1.04 -1.99 116.66 117.69 1wpb n ARG 55 Ca 0.23 0.23 0.13 0.00 -1.93 0.00 0.00 57.85 56.51 1wpb n ARG 55 Cb 0.68 -1.63 0.60 0.00 -1.16 0.00 0.00 32.46 30.94 1wpb n ARG 55 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1wpb n GLU 56 N -1.78 0.03 -3.95 5.56 1.02 -0.57 -4.74 120.64 116.22 1wpb n GLU 56 Ca 0.04 0.03 -0.35 0.00 -0.02 0.00 0.00 57.16 56.86 1wpb n GLU 56 Cb 0.26 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.05 1wpb n GLU 56 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1wpb s PHE 57 N -2.97 3.02 0.32 -0.32 0.08 -0.84 -5.09 117.98 112.19 1wpb s PHE 57 Ca 0.14 -0.60 0.04 0.00 0.12 0.00 0.00 56.93 56.63 1wpb s PHE 57 Cb 0.18 -2.13 0.04 0.00 -0.57 0.00 0.00 43.02 40.54 1wpb s PHE 57 CO 0.50 -0.37 0.33 0.41 -0.10 0.00 0.00 175.22 175.99 1wpb n GLY 58 N 4.58 2.48 3.17 4.36 0.00 -1.26 -5.03 105.19 113.50 1wpb n GLY 58 Ca -0.17 -2.22 -0.13 0.00 0.00 0.00 0.00 46.02 43.50 1wpb n GLY 58 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wpb s GLU 59 N -3.39 0.33 -0.21 1.61 2.12 -1.26 -5.11 118.70 112.79 1wpb s GLU 59 Ca 0.25 0.46 -0.04 0.00 0.36 0.00 0.00 54.97 56.01 1wpb s GLU 59 Cb -0.02 0.11 0.07 0.00 0.26 0.00 0.00 34.13 34.55 1wpb s GLU 59 CO 0.16 -0.07 0.09 -1.17 -0.54 0.00 0.00 175.26 173.73 1wpb s LEU 60 N 0.43 0.68 0.59 2.70 2.96 -1.26 -5.13 118.68 119.65 1wpb s LEU 60 Ca -0.02 -0.86 -0.20 0.00 -0.22 0.00 0.00 54.13 52.83 1wpb s LEU 60 Cb -0.04 -0.38 -0.04 0.00 0.50 0.00 0.00 46.19 46.23 1wpb s LEU 60 CO -0.02 -0.36 1.18 0.29 -1.32 0.00 0.00 176.35 176.12 1wpb n LYS 61 N 5.20 1.23 -0.27 1.98 5.02 -1.26 -4.67 118.16 125.39 1wpb n LYS 61 Ca -0.07 0.47 0.07 0.00 -2.02 0.00 0.00 58.31 56.75 1wpb n LYS 61 Cb 0.47 -2.39 0.21 0.00 -0.02 0.00 0.00 35.03 33.30 1wpb n LYS 61 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1wpb h GLU 62 N 0.84 0.38 -0.35 1.97 4.81 -2.00 -1.37 114.58 118.86 1wpb h GLU 62 Ca -0.50 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 58.60 1wpb h GLU 62 Cb 1.34 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 1wpb h GLU 62 CO 0.54 0.25 -0.24 0.93 -0.73 0.00 0.00 179.01 179.75 1wpb h GLU 63 N 0.39 0.71 -0.22 1.92 4.39 -1.99 -1.06 114.58 118.71 1wpb h GLU 63 Ca 0.44 -0.29 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 1wpb h GLU 63 Cb 0.74 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 1wpb h GLU 63 CO -0.46 0.88 0.07 1.15 -1.16 0.00 0.00 179.01 179.49 1wpb h THR 64 N 0.62 1.19 -0.61 1.13 2.02 -1.67 0.01 112.91 115.60 1wpb h THR 64 Ca 0.08 -0.61 0.12 0.00 0.77 0.00 0.00 66.41 66.77 1wpb h THR 64 Cb 0.74 1.18 -0.12 0.00 -1.74 0.00 0.00 68.15 68.21 1wpb h THR 64 CO 0.06 0.20 -0.26 0.00 0.37 0.00 0.00 175.52 175.88 1wpb h ARG 66 N -0.10 0.62 -0.41 0.00 3.08 -0.99 -1.93 114.38 114.65 1wpb h ARG 66 Ca 0.27 -0.13 -0.12 0.00 0.07 0.00 0.00 59.98 60.06 1wpb h ARG 66 Cb 0.53 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1wpb h ARG 66 CO -0.67 0.62 -0.22 1.15 -1.07 0.00 0.00 179.97 179.77 1wpb h THR 67 N 0.59 1.28 -0.39 2.04 2.02 -0.66 -0.09 112.91 117.69 1wpb h THR 67 Ca 0.13 -1.38 -0.01 0.00 0.77 0.00 0.00 66.41 65.92 1wpb h THR 67 Cb 0.33 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 1wpb h THR 67 CO 0.01 0.46 0.20 0.40 0.37 0.00 0.00 175.52 176.96 1wpb h ILE 68 N 0.70 1.16 -0.85 3.11 2.04 -1.07 -1.18 117.51 121.42 1wpb h ILE 68 Ca 0.09 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1wpb h ILE 68 Cb 0.79 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 1wpb h ILE 68 CO 0.07 0.17 0.55 0.40 0.00 0.00 0.00 178.15 179.34 1wpb h ILE 69 N 0.50 1.22 -0.33 -0.67 2.04 -1.19 -2.36 117.51 116.73 1wpb h ILE 69 Ca 0.14 -0.43 -0.13 0.00 1.00 0.00 0.00 64.86 65.44 1wpb h ILE 69 Cb 0.10 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.15 1wpb h ILE 69 CO -0.02 0.22 -0.31 -0.78 0.00 0.00 0.00 178.15 177.27 1wpb h ASP 70 N 1.16 0.73 -0.42 1.72 3.58 -0.47 -0.29 116.42 122.43 1wpb h ASP 70 Ca 0.31 -0.29 -0.00 0.00 0.42 0.00 0.00 57.03 57.47 1wpb h ASP 70 Cb -0.11 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 40.72 1wpb h ASP 70 CO -0.06 0.99 0.26 0.40 -2.88 0.00 0.00 179.24 177.94 1wpb h ILE 71 N 0.60 1.13 -0.67 2.25 2.04 -1.02 0.40 117.51 122.24 1wpb h ILE 71 Ca 0.07 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1wpb h ILE 71 Cb 0.82 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 1wpb h ILE 71 CO 0.07 0.13 0.38 0.24 0.00 0.00 0.00 178.15 178.97 1wpb h MET 72 N 0.56 0.92 -0.71 2.37 2.86 -0.94 -1.75 114.93 118.24 1wpb h MET 72 Ca 0.15 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 1wpb h MET 72 Cb -0.01 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.43 1wpb h MET 72 CO -0.03 0.68 0.37 1.49 1.06 0.00 0.00 176.91 180.48 1wpb h GLU 73 N 0.91 1.00 -0.48 1.72 4.57 -0.80 -1.13 114.58 120.37 1wpb h GLU 73 Ca 0.24 -0.13 0.08 0.00 -1.18 0.00 0.00 59.36 58.37 1wpb h GLU 73 Cb 0.01 -0.19 -0.07 0.00 -0.16 0.00 0.00 28.75 28.35 1wpb h GLU 73 CO -0.04 0.76 0.09 1.98 -1.18 0.00 0.00 179.01 180.62 1wpb h MET 74 N 0.98 0.22 -0.16 1.92 4.05 0.37 -0.17 114.93 122.14 1wpb h MET 74 Ca 0.25 -0.01 -0.08 0.00 -0.28 0.00 0.00 59.70 59.57 1wpb h MET 74 Cb 0.06 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.80 1wpb h MET 74 CO -0.04 0.15 -0.26 1.88 0.23 0.00 0.00 176.91 178.87 1wpb h TYR 75 N 0.23 0.33 -0.18 1.39 0.05 -0.95 -0.89 116.97 116.95 1wpb h TYR 75 Ca 0.24 -0.06 0.01 0.00 0.05 0.00 0.00 58.73 58.97 1wpb h TYR 75 Cb 0.31 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.95 1wpb h TYR 75 CO -0.22 0.54 0.07 1.25 -1.05 0.00 0.00 178.16 178.75 1wpb h HIS 76 N 0.27 0.14 -0.51 4.88 2.76 -0.71 0.41 115.15 122.38 1wpb h HIS 76 Ca 0.04 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.25 1wpb h HIS 76 Cb 0.60 -0.04 -0.04 0.00 1.55 0.00 0.00 27.41 29.49 1wpb h HIS 76 CO 0.01 0.07 0.28 0.00 -1.30 0.00 0.00 177.93 177.00 1wpb h ALA 77 N 1.10 0.65 -0.22 5.26 0.00 -0.66 -1.09 119.26 124.30 1wpb h ALA 77 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1wpb h ALA 77 Cb 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1wpb h ALA 77 CO -0.06 -0.04 0.06 -0.07 0.00 0.00 0.00 179.25 179.14 1wpb h LEU 78 N 0.56 0.32 -0.29 0.00 3.38 -1.02 -1.16 115.31 117.10 1wpb h LEU 78 Ca 0.21 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1wpb h LEU 78 Cb 0.07 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1wpb h LEU 78 CO -0.12 0.45 -0.20 -0.74 0.09 0.00 0.00 178.44 177.93 1wpb h HIS 79 N 0.17 0.75 -0.57 1.13 2.76 -0.85 -0.71 115.15 117.84 1wpb h HIS 79 Ca 0.07 -0.20 -0.02 0.00 -2.20 0.00 0.00 60.37 58.02 1wpb h HIS 79 Cb 0.25 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.02 1wpb h HIS 79 CO 0.01 0.91 0.30 0.28 -1.30 0.00 0.00 177.93 178.12 1wpb h VAL 80 N 0.39 1.20 -0.16 5.26 2.07 -1.20 -0.15 116.25 123.65 1wpb h VAL 80 Ca 0.06 -0.52 0.04 0.00 0.82 0.00 0.00 66.70 67.10 1wpb h VAL 80 Cb 0.74 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1wpb h VAL 80 CO 0.05 0.22 -0.11 0.28 0.02 0.00 0.00 177.57 178.03 1wpb h SER 81 N 0.77 -0.35 0.17 0.57 0.02 -1.14 -1.19 113.55 112.39 1wpb h SER 81 Ca 0.20 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1wpb h SER 81 Cb 0.08 0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1wpb h SER 81 CO -0.03 -0.14 -0.13 -0.25 -1.14 0.00 0.00 176.83 175.14 1wpb h TRP 82 N -0.11 -0.34 -0.15 3.45 7.01 -0.79 -1.95 115.95 123.08 1wpb h TRP 82 Ca 0.10 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.14 1wpb h TRP 82 Cb 0.25 0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.43 1wpb h TRP 82 CO -0.25 -0.20 0.15 0.66 -2.79 0.00 0.00 178.44 176.01 1wpb h SER 83 N -0.31 0.00 -0.11 2.65 4.64 -0.79 -1.72 113.55 117.91 1wpb h SER 83 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1wpb h SER 83 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1wpb h SER 83 CO -0.01 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.54 1wpb n ASN 84 N -3.93 2.00 -4.61 4.97 3.02 -0.47 -4.83 115.26 111.41 1wpb n ASN 84 Ca 0.01 -1.70 -0.43 0.00 -0.03 0.00 0.00 54.58 52.43 1wpb n ASN 84 Cb 0.27 -0.06 -0.02 0.00 -0.61 0.00 0.00 39.78 39.35 1wpb n ASN 84 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1wpb s LEU 85 N -1.80 3.63 0.20 3.41 1.43 -0.65 -4.89 118.68 120.02 1wpb s LEU 85 Ca 0.35 1.07 -0.16 0.00 -1.03 0.00 0.00 54.13 54.36 1wpb s LEU 85 Cb 0.20 -3.54 0.19 0.00 0.03 0.00 0.00 46.19 43.08 1wpb s LEU 85 CO 0.30 -1.44 1.62 -0.61 0.23 0.00 0.00 176.35 176.46 1wpb h GLN 86 N 11.03 -0.05 -4.60 1.70 4.15 -1.89 -3.26 115.11 122.20 1wpb h GLN 86 Ca -0.29 0.00 -0.70 0.00 0.77 0.00 0.00 58.65 58.43 1wpb h GLN 86 Cb 1.12 0.01 -0.28 0.00 0.21 0.00 0.00 27.48 28.55 1wpb h GLN 86 CO 1.06 -0.03 -0.55 0.34 -1.93 0.00 0.00 178.83 177.71 1wpb s ASP 87 N -5.20 5.48 0.00 -0.69 3.68 -1.26 -4.99 116.67 113.68 1wpb s ASP 87 Ca -0.14 -1.23 0.27 0.00 2.13 0.00 0.00 52.55 53.57 1wpb s ASP 87 Cb 0.18 -1.93 1.59 0.00 -1.45 0.00 0.00 42.92 41.31 1wpb s ASP 87 CO 0.72 -0.40 1.96 0.00 0.13 0.00 0.00 175.17 177.59 1wpb n GLN 88 N 4.87 0.89 -3.24 4.34 6.02 -1.23 -4.93 117.38 124.09 1wpb n GLN 88 Ca -0.11 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.66 1wpb n GLN 88 Cb 0.44 -1.47 -0.01 0.00 1.02 0.00 0.00 30.24 30.23 1wpb n GLN 88 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1wpb n GLN 89 N -0.97 -3.20 -3.24 -1.09 6.02 -1.26 -1.15 117.38 112.48 1wpb n GLN 89 Ca 0.20 0.47 -0.20 0.00 -0.01 0.00 0.00 57.00 57.46 1wpb n GLN 89 Cb 0.09 -5.15 -0.05 0.00 1.02 0.00 0.00 30.24 26.15 1wpb n GLN 89 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1wpb n SER 90 N -2.21 -0.38 -4.68 1.08 2.88 -1.26 -4.90 113.62 104.15 1wpb n SER 90 Ca -0.03 -0.66 -0.42 0.00 -1.33 0.00 0.00 58.87 56.43 1wpb n SER 90 Cb 0.55 -0.84 -0.03 0.00 -0.75 0.00 0.00 64.21 63.14 1wpb n SER 90 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1wpb s ILE 91 N -2.80 3.43 -0.08 2.46 1.01 -0.30 -4.94 121.20 119.98 1wpb s ILE 91 Ca 0.27 0.81 -0.34 0.00 0.00 0.00 0.00 60.65 61.38 1wpb s ILE 91 Cb -0.15 -3.52 -0.12 0.00 0.01 0.00 0.00 42.46 38.68 1wpb s ILE 91 CO 0.53 -0.01 1.88 -0.67 0.00 0.00 0.00 174.94 176.67 1wpb n ASP 92 N 5.73 3.46 -0.27 3.58 4.64 -1.26 -4.86 116.55 127.57 1wpb n ASP 92 Ca 0.15 0.97 0.22 0.00 -1.38 0.00 0.00 54.79 54.75 1wpb n ASP 92 Cb 0.42 -1.37 0.54 0.00 -1.04 0.00 0.00 41.12 39.67 1wpb n ASP 92 CO 0.00 0.00 0.00 -0.08 -0.82 0.00 0.00 177.20 176.30 1wpb h GLU 93 N 9.17 0.34 0.00 -0.67 4.81 -1.98 -1.24 114.58 125.02 1wpb h GLU 93 Ca -0.48 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 58.71 1wpb h GLU 93 Cb 1.27 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 1wpb h GLU 93 CO 0.95 0.23 -0.08 0.07 -0.73 0.00 0.00 179.01 179.45 1wpb h ARG 94 N 0.35 0.00 -0.00 1.92 -0.00 -1.95 -2.35 114.38 112.35 1wpb h ARG 94 Ca 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.49 1wpb h ARG 94 Cb 1.38 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.35 1wpb h ARG 94 CO -0.19 0.08 -0.09 0.54 -0.00 0.00 0.00 179.97 180.30 1wpb n ARG 95 N -3.27 0.16 -0.44 0.08 1.74 -0.47 -3.07 116.66 111.39 1wpb n ARG 95 Ca -0.00 -0.03 0.05 0.00 -0.77 0.00 0.00 57.85 57.10 1wpb n ARG 95 Cb 0.29 -1.50 0.20 0.00 -1.02 0.00 0.00 32.46 30.43 1wpb n ARG 95 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 1wpb n VAL 96 N -1.39 2.22 -4.26 1.55 3.14 -0.89 -4.91 118.33 113.78 1wpb n VAL 96 Ca 0.09 -2.44 -0.30 0.00 -2.96 0.00 0.00 64.34 58.73 1wpb n VAL 96 Cb 0.31 -0.26 -0.16 0.00 -1.06 0.00 0.00 33.84 32.66 1wpb n VAL 96 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1wpb s THR 97 N -3.02 1.64 -0.06 1.55 2.01 -1.17 -4.05 115.64 112.54 1wpb s THR 97 Ca 0.39 -0.70 -0.30 0.00 0.31 0.00 0.00 61.69 61.39 1wpb s THR 97 Cb 0.34 -1.51 -0.06 0.00 0.01 0.00 0.00 72.50 71.29 1wpb s THR 97 CO 0.02 0.47 1.74 0.12 -0.69 0.00 0.00 174.62 176.28 1wpb s PHE 98 N 1.22 1.81 -0.44 4.92 5.36 -1.26 -4.89 117.98 124.69 1wpb s PHE 98 Ca -0.01 0.10 0.23 0.00 -0.96 0.00 0.00 56.93 56.29 1wpb s PHE 98 Cb -0.14 -3.99 -0.05 0.00 -0.34 0.00 0.00 43.02 38.50 1wpb s PHE 98 CO -0.07 -4.13 0.91 1.28 -1.46 0.00 0.00 175.22 171.76 1wpb n LEU 99 N 7.54 0.55 0.00 6.12 4.77 -1.26 -4.90 117.00 129.81 1wpb n LEU 99 Ca 0.18 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1wpb n LEU 99 Cb 0.43 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1wpb n LEU 99 CO 0.64 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1wpb n GLY 100 N 1.32 0.05 3.40 -0.72 0.00 -1.26 -3.28 105.19 104.70 1wpb n GLY 100 Ca 0.00 -1.85 -0.20 0.00 0.00 0.00 0.00 46.02 43.97 1wpb n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wpb s PHE 101 N 0.00 1.76 -0.61 1.61 0.08 -0.46 -4.63 117.98 115.73 1wpb s PHE 101 Ca 0.00 -1.12 -0.27 0.00 0.12 0.00 0.00 56.93 55.67 1wpb s PHE 101 Cb 0.00 -1.10 0.04 0.00 -0.57 0.00 0.00 43.02 41.38 1wpb s PHE 101 CO 0.00 -0.20 1.13 0.34 -0.10 0.00 0.00 175.22 176.40 1wpb s ASP 102 N -3.44 6.35 0.20 1.36 2.15 -1.26 -0.85 116.67 121.18 1wpb s ASP 102 Ca 0.35 -0.19 -0.05 0.00 0.43 0.00 0.00 52.55 53.09 1wpb s ASP 102 Cb 0.07 -2.52 0.33 0.00 -0.30 0.00 0.00 42.92 40.51 1wpb s ASP 102 CO 0.15 -1.49 1.09 0.00 -0.17 0.00 0.00 175.17 174.75 1wpb n ALA 103 N 8.33 0.18 0.01 3.66 0.00 -1.26 0.58 120.51 132.00 1wpb n ALA 103 Ca 0.05 0.77 -0.17 0.00 0.00 0.00 0.00 53.44 54.08 1wpb n ALA 103 Cb 0.48 -0.47 -0.13 0.00 0.00 0.00 0.00 19.45 19.34 1wpb n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wpb h ALA 104 N 1.40 -0.01 0.00 0.00 0.00 -1.99 -3.35 119.26 115.31 1wpb h ALA 104 Ca 0.34 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1wpb h ALA 104 Cb 0.53 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1wpb h ALA 104 CO -0.72 0.26 -0.81 0.25 0.00 0.00 0.00 179.25 178.23 1wpb n THR 105 N -4.29 0.00 -2.77 0.00 -2.24 -1.22 -4.73 114.28 99.03 1wpb n THR 105 Ca -0.11 -0.22 -0.26 0.00 -2.27 0.00 0.00 64.05 61.19 1wpb n THR 105 Cb 0.67 0.84 -0.02 0.00 -2.10 0.00 0.00 70.33 69.72 1wpb n THR 105 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1wpb n GLU 106 N -1.44 3.13 0.08 -0.78 1.02 0.20 -4.87 120.64 117.99 1wpb n GLU 106 Ca 0.01 -4.60 -0.23 0.00 -0.02 0.00 0.00 57.16 52.32 1wpb n GLU 106 Cb 0.23 -2.18 -0.15 0.00 -0.02 0.00 0.00 31.44 29.32 1wpb n GLU 106 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wpb h ALA 107 N 2.83 0.08 -0.54 0.62 0.00 -1.68 -2.11 119.26 118.47 1wpb h ALA 107 Ca 0.18 -1.06 0.04 0.00 0.00 0.00 0.00 54.91 54.07 1wpb h ALA 107 Cb 0.71 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1wpb h ALA 107 CO 0.80 0.91 0.36 0.00 0.00 0.00 0.00 179.25 181.32 1wpb h ARG 108 N 0.04 0.57 -0.01 0.00 3.08 -1.91 -2.02 114.38 114.14 1wpb h ARG 108 Ca -0.32 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.68 1wpb h ARG 108 Cb 2.05 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.98 1wpb h ARG 108 CO 0.18 0.38 -0.09 1.88 -1.07 0.00 0.00 179.97 181.26 1wpb h TYR 109 N 0.59 0.10 -0.87 3.04 0.05 -1.92 -2.12 116.97 115.84 1wpb h TYR 109 Ca 0.22 -0.05 0.03 0.00 0.05 0.00 0.00 58.73 58.98 1wpb h TYR 109 Cb 0.14 -0.01 -0.05 0.00 1.01 0.00 0.00 36.73 37.82 1wpb h TYR 109 CO -0.00 0.79 0.57 1.25 -1.05 0.00 0.00 178.16 179.72 1wpb h LEU 110 N -0.62 0.94 -0.83 3.88 5.85 -1.34 -1.77 115.31 121.43 1wpb h LEU 110 Ca -0.01 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 1wpb h LEU 110 Cb 0.81 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 1wpb h LEU 110 CO 0.02 0.65 0.36 1.23 -0.34 0.00 0.00 178.44 180.36 1wpb h GLY 111 N 1.09 1.30 1.21 3.75 0.00 -1.30 -1.33 103.07 107.79 1wpb h GLY 111 Ca 0.34 -0.68 -0.13 0.00 0.00 0.00 0.00 47.33 46.87 1wpb h GLY 111 CO -0.10 0.64 -0.25 -1.82 0.00 0.00 0.00 176.54 175.01 1wpb h TYR 112 N 1.19 1.03 0.01 5.60 3.20 -0.85 -0.04 116.97 127.11 1wpb h TYR 112 Ca 0.28 -0.25 0.02 0.00 3.14 0.00 0.00 58.73 61.92 1wpb h TYR 112 Cb 0.17 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 1wpb h TYR 112 CO 0.02 1.04 -0.14 0.28 -1.64 0.00 0.00 178.16 177.73 1wpb h VAL 113 N 0.77 0.67 -0.58 1.81 2.07 -1.03 0.12 116.25 120.08 1wpb h VAL 113 Ca 0.10 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.57 1wpb h VAL 113 Cb 0.80 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 1wpb h VAL 113 CO 0.07 0.00 0.16 0.03 0.02 0.00 0.00 177.57 177.85 1wpb h ARG 114 N -0.23 0.88 -0.33 1.57 3.08 -1.13 -0.94 114.38 117.29 1wpb h ARG 114 Ca 0.04 -0.17 0.04 0.00 0.07 0.00 0.00 59.98 59.96 1wpb h ARG 114 Cb 0.29 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.16 1wpb h ARG 114 CO -0.13 0.78 0.11 0.35 -1.07 0.00 0.00 179.97 180.01 1wpb h PHE 115 N 0.86 0.19 -0.56 3.04 3.57 -0.68 0.23 116.94 123.58 1wpb h PHE 115 Ca 0.19 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.64 1wpb h PHE 115 Cb 0.27 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 1wpb h PHE 115 CO 0.02 0.08 0.08 0.52 -2.23 0.00 0.00 178.31 176.77 1wpb h MET 116 N 0.24 0.90 0.00 1.11 2.86 -0.34 0.00 114.93 119.70 1wpb h MET 116 Ca 0.15 -0.22 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 1wpb h MET 116 Cb 0.13 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1wpb h MET 116 CO -0.16 0.84 -0.33 0.28 1.06 0.00 0.00 176.91 178.61 1wpb h VAL 117 N 0.85 1.14 0.12 -2.22 2.07 -1.14 -0.64 116.25 116.42 1wpb h VAL 117 Ca 0.17 -1.97 -0.29 0.00 0.82 0.00 0.00 66.70 65.44 1wpb h VAL 117 Cb 0.39 2.27 -0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1wpb h VAL 117 CO 0.01 0.39 -1.37 0.78 0.02 0.00 0.00 177.57 177.40 1wpb h ASN 118 N -1.00 0.39 0.00 0.57 2.35 -0.59 -2.54 115.58 114.76 1wpb h ASN 118 Ca -0.08 -0.47 -0.03 0.00 -0.55 0.00 0.00 56.30 55.17 1wpb h ASN 118 Cb 0.86 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 39.09 1wpb h ASN 118 CO -0.05 1.38 -0.63 0.52 -1.65 0.00 0.00 177.43 177.00 1wpb n VAL 119 N -3.48 1.43 0.19 2.81 0.31 -0.13 -4.53 118.33 114.93 1wpb n VAL 119 Ca -0.12 0.18 0.06 0.00 -0.01 0.00 0.00 64.34 64.45 1wpb n VAL 119 Cb 1.03 -2.35 0.34 0.00 -0.91 0.00 0.00 33.84 31.95 1wpb n VAL 119 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1wpb h GLU 120 N -1.00 0.00 0.00 5.55 4.39 -1.23 -3.47 114.58 118.82 1wpb h GLU 120 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1wpb h GLU 120 Cb 0.63 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 1wpb h GLU 120 CO -0.03 0.37 0.00 0.41 -1.16 0.00 0.00 179.01 178.61 1wpb n GLY 121 N 0.22 0.51 3.83 -3.84 0.00 -0.70 -4.98 105.19 100.22 1wpb n GLY 121 Ca -0.00 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.78 1wpb n GLY 121 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wpb s ARG 122 N -1.80 4.14 -1.50 1.61 3.52 -0.33 -4.29 118.95 120.30 1wpb s ARG 122 Ca 0.00 0.74 -0.06 0.00 -0.13 0.00 0.00 55.73 56.28 1wpb s ARG 122 Cb 0.00 -2.81 0.01 0.00 -1.56 0.00 0.00 34.95 30.59 1wpb s ARG 122 CO 0.00 0.37 0.77 0.66 -0.81 0.00 0.00 175.30 176.29 1wpb n TYR 123 N 0.53 -2.23 0.24 5.12 4.01 -1.26 -3.91 117.16 119.65 1wpb n TYR 123 Ca -0.02 0.67 0.12 0.00 -0.16 0.00 0.00 57.90 58.51 1wpb n TYR 123 Cb 0.52 -4.58 0.49 0.00 -0.31 0.00 0.00 39.34 35.45 1wpb n TYR 123 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 1wpb h THR 124 N -1.75 0.34 -0.00 -0.72 1.35 -1.88 -2.35 112.91 107.89 1wpb h THR 124 Ca -0.54 -0.95 0.00 0.00 -0.55 0.00 0.00 66.41 64.37 1wpb h THR 124 Cb 1.37 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 69.51 1wpb h THR 124 CO 0.57 0.14 -0.05 1.41 -0.25 0.00 0.00 175.52 177.34 1wpb n HIS 125 N -3.26 0.00 -1.99 4.73 8.25 -1.26 -4.79 115.22 116.89 1wpb n HIS 125 Ca 0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 1wpb n HIS 125 Cb 0.41 -0.16 -0.02 0.00 1.12 0.00 0.00 29.99 31.33 1wpb n HIS 125 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1wpb s PHE 126 N -2.38 2.97 -0.21 4.41 0.40 -0.89 -4.97 117.98 117.32 1wpb s PHE 126 Ca 0.33 1.07 -0.29 0.00 -0.60 0.00 0.00 56.93 57.44 1wpb s PHE 126 Cb 0.21 -3.83 -0.04 0.00 0.51 0.00 0.00 43.02 39.87 1wpb s PHE 126 CO 0.44 -2.65 1.78 0.34 0.70 0.00 0.00 175.22 175.83 1wpb s ASP 127 N 0.22 6.16 0.00 1.36 3.68 -1.26 -4.89 116.67 121.94 1wpb s ASP 127 Ca 0.58 1.72 0.26 0.00 2.13 0.00 0.00 52.55 57.23 1wpb s ASP 127 Cb -0.42 -2.53 1.39 0.00 -1.45 0.00 0.00 42.92 39.91 1wpb s ASP 127 CO 0.46 -1.42 1.88 0.00 0.13 0.00 0.00 175.17 176.22 1wpb n ALA 128 N 9.16 2.35 -0.30 3.66 0.00 -1.26 -4.86 120.51 129.26 1wpb n ALA 128 Ca 0.21 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1wpb n ALA 128 Cb 0.45 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1wpb n ALA 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wpb n GLY 129 N 0.78 -0.49 0.73 0.00 0.00 -1.26 -1.25 105.19 103.70 1wpb n GLY 129 Ca 0.15 -1.09 0.11 0.00 0.00 0.00 0.00 46.02 45.18 1wpb n GLY 129 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wpb n THR 130 N 0.00 0.00 -2.49 2.61 -2.24 -1.26 -4.46 114.28 106.44 1wpb n THR 130 Ca 0.00 -0.43 0.02 0.00 -2.27 0.00 0.00 64.05 61.37 1wpb n THR 130 Cb 0.00 1.38 0.04 0.00 -2.10 0.00 0.00 70.33 69.65 1wpb n THR 130 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1wpb n HIS 131 N 0.79 0.39 -3.70 4.78 8.25 -1.26 -5.04 115.22 119.44 1wpb n HIS 131 Ca 0.11 -1.04 -0.21 0.00 -0.26 0.00 0.00 57.72 56.32 1wpb n HIS 131 Cb 0.50 -0.18 0.03 0.00 1.12 0.00 0.00 29.99 31.46 1wpb n HIS 131 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wpb n GLY 132 N 0.05 -0.30 2.48 -1.41 0.00 -1.14 -2.05 105.19 102.82 1wpb n GLY 132 Ca 0.09 0.13 -0.02 0.00 0.00 0.00 0.00 46.02 46.21 1wpb n GLY 132 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wpb n PHE 133 N -4.26 0.00 -2.50 1.61 3.72 -0.38 -4.92 117.46 110.73 1wpb n PHE 133 Ca -0.30 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.67 1wpb n PHE 133 Cb 0.68 -1.28 -0.02 0.00 -0.94 0.00 0.00 39.48 37.92 1wpb n PHE 133 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1wpb s ASN 134 N -2.20 6.49 0.44 4.37 2.47 -0.87 -1.35 114.94 124.29 1wpb s ASN 134 Ca 0.00 0.57 0.24 0.00 0.42 0.00 0.00 52.86 54.09 1wpb s ASN 134 Cb 0.00 -2.55 0.90 0.00 -1.45 0.00 0.00 41.25 38.15 1wpb s ASN 134 CO 0.00 -1.36 1.81 0.00 -3.72 0.00 0.00 177.10 173.84 1wpb h ALA 135 N 9.88 1.01 -6.49 1.71 0.00 -0.98 -3.45 119.26 120.95 1wpb h ALA 135 Ca -0.25 -0.20 -0.47 0.00 0.00 0.00 0.00 54.91 53.99 1wpb h ALA 135 Cb 1.08 -0.03 -0.24 0.00 0.00 0.00 0.00 17.79 18.59 1wpb h ALA 135 CO 1.12 0.27 -0.69 0.00 0.00 0.00 0.00 179.25 179.95 1wpb n GLN 136 N -3.36 -1.96 -3.79 0.00 10.64 -1.25 -4.94 117.38 112.73 1wpb n GLN 136 Ca 0.00 0.21 -0.13 0.00 -1.83 0.00 0.00 57.00 55.26 1wpb n GLN 136 Cb 0.44 -4.83 -0.10 0.00 -0.86 0.00 0.00 30.24 24.89 1wpb n GLN 136 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 1wpb s THR 137 N -3.00 0.03 0.18 -0.39 -4.23 -1.26 -5.07 115.64 101.90 1wpb s THR 137 Ca 0.62 -0.23 -0.30 0.00 -1.18 0.00 0.00 61.69 60.60 1wpb s THR 137 Cb -0.35 -0.46 -0.08 0.00 1.34 0.00 0.00 72.50 72.95 1wpb s THR 137 CO 0.76 -0.13 1.21 -2.84 -0.54 0.00 0.00 174.62 173.08 1wpb s PRO 138 N -0.48 4.47 0.00 3.99 0.02 -1.26 -4.05 135.00 137.69 1wpb s PRO 138 Ca -0.06 1.90 0.00 0.00 0.02 0.00 0.00 61.00 62.86 1wpb s PRO 138 Cb -0.04 -3.24 0.00 0.00 0.02 0.00 0.00 34.50 31.25 1wpb s PRO 138 CO 0.02 -0.12 0.05 -1.33 -0.33 0.00 0.00 177.00 175.29 1wpb n MET 139 N 2.57 4.98 0.01 5.54 2.81 -1.26 -4.89 117.12 126.89 1wpb n MET 139 Ca 0.05 -0.05 -0.01 0.00 -1.81 0.00 0.00 57.70 55.88 1wpb n MET 139 Cb 0.44 -0.47 -0.00 0.00 -0.71 0.00 0.00 33.22 32.48 1wpb n MET 139 CO 0.00 0.00 0.00 2.35 1.51 0.00 0.00 175.97 179.83 1wpb h TRP 140 N 0.00 -0.04 -0.66 2.03 2.91 -1.92 -1.28 115.95 116.98 1wpb h TRP 140 Ca 0.00 -0.00 0.15 0.00 1.13 0.00 0.00 58.89 60.16 1wpb h TRP 140 Cb 0.01 0.02 -0.04 0.00 -0.51 0.00 0.00 29.16 28.64 1wpb h TRP 140 CO 0.00 -0.02 0.45 1.49 -1.03 0.00 0.00 178.44 179.33 1wpb h GLU 141 N -0.04 0.26 0.56 2.65 4.22 -1.99 -1.23 114.58 119.02 1wpb h GLU 141 Ca -0.00 -0.02 -0.02 0.00 0.08 0.00 0.00 59.36 59.40 1wpb h GLU 141 Cb 0.03 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1wpb h GLU 141 CO 0.00 0.18 -0.42 0.87 -2.18 0.00 0.00 179.01 177.46 1wpb h LYS 142 N 0.27 -0.92 -1.01 1.92 1.57 -1.85 -2.08 116.57 114.48 1wpb h LYS 142 Ca 0.32 0.06 0.26 0.00 -1.87 0.00 0.00 60.65 59.42 1wpb h LYS 142 Cb 0.87 0.21 -0.13 0.00 0.08 0.00 0.00 32.23 33.26 1wpb h LYS 142 CO -0.07 -0.61 0.59 1.88 -0.57 0.00 0.00 179.45 180.67 1wpb h TYR 143 N -0.95 0.99 -0.91 -1.35 0.05 -0.14 0.08 116.97 114.74 1wpb h TYR 143 Ca -0.07 0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 1wpb h TYR 143 Cb 0.80 -0.28 -0.04 0.00 1.01 0.00 0.00 36.73 38.21 1wpb h TYR 143 CO -0.16 0.02 0.55 1.96 -1.05 0.00 0.00 178.16 179.49 1wpb h GLN 144 N 0.53 1.24 -0.34 4.88 1.08 -0.81 0.95 115.11 122.63 1wpb h GLN 144 Ca 0.66 -0.11 -0.09 0.00 -1.45 0.00 0.00 58.65 57.66 1wpb h GLN 144 Cb 1.31 -0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 28.47 1wpb h GLN 144 CO -0.49 0.87 -0.12 0.00 -0.95 0.00 0.00 178.83 178.13 1wpb h ARG 145 N 1.26 0.69 -0.35 1.46 -0.00 -0.37 -1.69 114.38 115.38 1wpb h ARG 145 Ca 0.33 -0.28 0.00 0.00 -0.50 0.00 0.00 59.98 59.53 1wpb h ARG 145 Cb -0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 29.97 29.87 1wpb h ARG 145 CO -0.06 0.87 0.23 0.52 0.00 0.00 0.00 179.97 181.53 1wpb h MET 146 N 0.47 0.47 -0.93 0.04 2.86 -0.59 -2.90 114.93 114.35 1wpb h MET 146 Ca 0.08 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1wpb h MET 146 Cb 0.64 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.15 1wpb h MET 146 CO 0.04 0.31 0.59 -0.07 1.06 0.00 0.00 176.91 178.85 1wpb h LEU 147 N 0.48 1.08 -0.95 1.22 3.38 -0.71 0.39 115.31 120.20 1wpb h LEU 147 Ca 0.13 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.10 1wpb h LEU 147 Cb -0.05 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.37 1wpb h LEU 147 CO -0.03 0.81 0.62 0.78 0.09 0.00 0.00 178.44 180.70 1wpb h ASN 148 N 1.26 1.02 -0.11 -0.43 -0.26 -1.15 -1.32 115.58 114.60 1wpb h ASN 148 Ca 0.34 -0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 55.93 1wpb h ASN 148 Cb -0.11 -0.23 0.01 0.00 -1.06 0.00 0.00 38.32 36.93 1wpb h ASN 148 CO -0.07 0.69 -0.49 0.58 -1.06 0.00 0.00 177.43 177.08 1wpb h VAL 149 N 1.18 1.36 -0.10 2.81 2.07 -1.16 -3.04 116.25 119.37 1wpb h VAL 149 Ca 0.39 -1.80 0.01 0.00 0.82 0.00 0.00 66.70 66.11 1wpb h VAL 149 Cb 0.04 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1wpb h VAL 149 CO -0.13 0.54 0.04 -0.25 0.02 0.00 0.00 177.57 177.79 1wpb h TRP 150 N 0.12 0.08 0.00 1.57 7.01 -0.77 -2.18 115.95 121.79 1wpb h TRP 150 Ca -0.03 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.98 1wpb h TRP 150 Cb 1.13 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 28.17 1wpb h TRP 150 CO 0.11 0.04 0.00 0.45 -2.79 0.00 0.00 178.44 176.25 1wpb h HIS 151 N 0.10 0.00 -0.00 2.65 3.86 -1.33 -0.76 115.15 119.66 1wpb h HIS 151 Ca 0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1wpb h HIS 151 Cb 0.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.48 1wpb h HIS 151 CO -0.09 0.00 -0.25 0.00 0.86 0.00 0.00 177.93 178.44 1wpb n ALA 152 N -1.83 2.98 -1.86 2.45 0.00 -0.84 -4.83 120.51 116.58 1wpb n ALA 152 Ca 0.02 -0.25 -0.41 0.00 0.00 0.00 0.00 53.44 52.80 1wpb n ALA 152 Cb 0.23 -1.28 -0.04 0.00 0.00 0.00 0.00 19.45 18.36 1wpb n ALA 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wpb n PRO 154 N 1.59 1.03 -3.83 0.00 -0.04 -1.26 -4.41 135.00 128.08 1wpb n PRO 154 Ca 0.01 -0.05 -0.12 0.00 -0.04 0.00 0.00 63.50 63.30 1wpb n PRO 154 Cb 0.45 -1.45 -0.10 0.00 -0.04 0.00 0.00 33.50 32.36 1wpb n PRO 154 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1wpb s ARG 155 N -2.00 0.47 -0.01 0.54 1.70 -1.26 -5.08 118.95 113.32 1wpb s ARG 155 Ca 0.43 -0.20 0.21 0.00 -0.47 0.00 0.00 55.73 55.69 1wpb s ARG 155 Cb 0.20 0.20 -0.24 0.00 -0.57 0.00 0.00 34.95 34.54 1wpb s ARG 155 CO 0.33 -0.11 0.81 1.04 -1.08 0.00 0.00 175.30 176.29 1wpb n GLN 156 N 1.75 0.24 -4.47 3.89 6.02 -1.26 -4.88 117.38 118.67 1wpb n GLN 156 Ca -0.20 -0.04 -0.23 0.00 -0.01 0.00 0.00 57.00 56.52 1wpb n GLN 156 Cb 0.56 -1.48 -0.10 0.00 1.02 0.00 0.00 30.24 30.24 1wpb n GLN 156 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1wpb s TYR 157 N -3.05 2.20 -1.30 1.08 2.02 -1.26 -4.69 117.35 112.35 1wpb s TYR 157 Ca 0.05 -0.44 -0.06 0.00 -0.37 0.00 0.00 57.07 56.25 1wpb s TYR 157 Cb 0.15 -1.07 -0.00 0.00 -0.40 0.00 0.00 41.96 40.64 1wpb s TYR 157 CO 0.86 0.59 0.60 0.72 -1.57 0.00 0.00 175.55 176.75 1wpb n HIS 158 N -0.63 -1.80 -2.53 2.71 8.25 -1.26 -4.91 115.22 115.06 1wpb n HIS 158 Ca -0.05 0.69 -0.35 0.00 -0.26 0.00 0.00 57.72 57.74 1wpb n HIS 158 Cb 0.61 -3.83 -0.04 0.00 1.12 0.00 0.00 29.99 27.86 1wpb n HIS 158 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1wpb s LEU 159 N -6.73 3.98 0.72 2.41 1.43 -1.26 -5.04 118.68 114.19 1wpb s LEU 159 Ca 0.14 2.00 -0.11 0.00 -1.03 0.00 0.00 54.13 55.13 1wpb s LEU 159 Cb -0.05 -4.38 0.03 0.00 0.03 0.00 0.00 46.19 41.82 1wpb s LEU 159 CO 0.86 -0.67 1.08 -0.94 0.23 0.00 0.00 176.35 176.91 1wpb s SER 160 N -1.77 4.99 0.38 2.29 1.04 -1.26 -4.78 113.70 114.59 1wpb s SER 160 Ca 0.63 1.73 0.08 0.00 0.48 0.00 0.00 55.95 58.87 1wpb s SER 160 Cb -0.19 -2.51 0.81 0.00 0.10 0.00 0.00 66.02 64.23 1wpb s SER 160 CO 0.24 -1.71 1.95 0.00 0.98 0.00 0.00 173.24 174.70 1wpb h ALA 161 N -0.83 1.79 -0.32 5.32 0.00 -1.96 0.87 119.26 124.13 1wpb h ALA 161 Ca -0.44 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.28 1wpb h ALA 161 Cb 1.22 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1wpb h ALA 161 CO 0.54 0.07 -0.49 -0.91 0.00 0.00 0.00 179.25 178.46 1wpb h ASN 162 N 0.67 0.99 -0.07 0.00 2.35 -1.98 -1.43 115.58 116.11 1wpb h ASN 162 Ca 0.33 -0.50 -0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1wpb h ASN 162 Cb 0.39 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 1wpb h ASN 162 CO -0.11 1.31 0.03 -0.33 -1.65 0.00 0.00 177.43 176.67 1wpb h GLU 163 N 0.71 0.10 -0.62 0.81 5.08 -1.70 -0.42 114.58 118.53 1wpb h GLU 163 Ca 0.03 -0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.48 1wpb h GLU 163 Cb 1.10 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.25 1wpb h GLU 163 CO 0.11 0.21 0.20 0.82 -1.00 0.00 0.00 179.01 179.35 1wpb h ILE 164 N -0.04 0.71 -0.43 3.13 2.04 -0.83 -1.47 117.51 120.62 1wpb h ILE 164 Ca 0.02 -0.12 -0.06 0.00 1.00 0.00 0.00 64.86 65.70 1wpb h ILE 164 Cb 0.15 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 1wpb h ILE 164 CO -0.00 0.07 0.05 0.78 0.00 0.00 0.00 178.15 179.04 1wpb h ASN 165 N 0.36 0.71 -0.51 1.72 2.35 -0.98 -2.02 115.58 117.21 1wpb h ASN 165 Ca 0.32 -0.28 0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1wpb h ASN 165 Cb 0.43 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.59 1wpb h ASN 165 CO -0.35 0.81 0.34 1.56 -1.65 0.00 0.00 177.43 178.14 1wpb h GLN 166 N 0.59 0.65 0.05 0.81 4.20 -0.10 0.52 115.11 121.82 1wpb h GLN 166 Ca 0.13 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 1wpb h GLN 166 Cb 0.42 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1wpb h GLN 166 CO 0.01 0.43 -0.02 0.82 -0.67 0.00 0.00 178.83 179.40 1wpb h ILE 167 N 0.67 1.07 -0.35 2.54 2.04 -1.06 -2.73 117.51 119.69 1wpb h ILE 167 Ca 0.19 -1.62 -0.06 0.00 1.00 0.00 0.00 64.86 64.38 1wpb h ILE 167 Cb -0.04 1.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 1wpb h ILE 167 CO -0.04 0.34 -0.03 0.16 0.00 0.00 0.00 178.15 178.57 1wpb h ILE 168 N -0.94 1.21 0.00 -0.67 3.07 -1.35 -0.23 117.51 118.60 1wpb h ILE 168 Ca -0.01 -0.87 0.00 0.00 1.55 0.00 0.00 64.86 65.53 1wpb h ILE 168 Cb 0.60 0.98 0.00 0.00 -0.27 0.00 0.00 36.82 38.13 1wpb h ILE 168 CO 0.01 0.30 0.00 0.78 -1.05 0.00 0.00 178.15 178.19 1wpb h ASN 169 N 0.53 0.00 0.00 2.16 2.35 -0.99 -3.51 115.58 116.13 1wpb h ASN 169 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1wpb h ASN 169 Cb 0.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1wpb h ASN 169 CO 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.80