#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 4.21 0.67 2.61 2.12 -1.26 -4.96 118.70 122.09 1wpb s GLU 4 Ca 0.00 2.38 -0.15 0.00 0.36 0.00 0.00 54.97 57.56 1wpb s GLU 4 Cb 0.00 -3.14 0.00 0.00 0.26 0.00 0.00 34.13 31.25 1wpb s GLU 4 CO 0.00 -0.60 1.14 0.45 -0.54 0.00 0.00 175.26 175.71 1wpb s SER 5 N 1.06 4.91 0.48 -1.70 0.15 -1.26 -4.94 113.70 112.40 1wpb s SER 5 Ca 0.69 2.12 0.16 0.00 0.70 0.00 0.00 55.95 59.62 1wpb s SER 5 Cb -0.44 -2.56 1.16 0.00 -1.71 0.00 0.00 66.02 62.46 1wpb s SER 5 CO 0.33 -1.77 2.06 0.71 1.20 0.00 0.00 173.24 175.77 1wpb h THR 6 N 0.06 0.94 0.00 6.45 1.35 -1.93 -2.38 112.91 117.40 1wpb h THR 6 Ca -0.47 -0.07 -0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1wpb h THR 6 Cb 1.26 0.71 -0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1wpb h THR 6 CO 0.53 0.04 -0.00 0.24 -0.25 0.00 0.00 175.52 176.08 1wpb h MET 7 N 0.21 0.00 -0.14 4.72 2.86 -1.92 -1.75 114.93 118.90 1wpb h MET 7 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1wpb h MET 7 Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1wpb h MET 7 CO -0.03 0.00 0.00 0.39 1.06 0.00 0.00 176.91 178.34 1wpb n GLU 8 N -3.85 1.72 -1.68 1.72 1.02 -0.90 -4.98 120.64 113.69 1wpb n GLU 8 Ca -0.03 -1.08 -0.34 0.00 -0.02 0.00 0.00 57.16 55.69 1wpb n GLU 8 Cb 0.08 -1.41 0.06 0.00 -0.02 0.00 0.00 31.44 30.15 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 -1.82 2.59 0.75 3.49 0.23 -0.66 -5.01 119.30 118.87 1wpb s MET 9 Ca 0.33 1.59 -0.12 0.00 -1.03 0.00 0.00 55.69 56.47 1wpb s MET 9 Cb 0.18 -1.91 0.05 0.00 -1.53 0.00 0.00 34.83 31.62 1wpb s MET 9 CO 0.28 -1.45 1.13 0.95 -2.03 0.00 0.00 175.02 173.89 1wpb s THR 10 N -2.10 2.78 0.35 3.16 -4.23 -1.26 -4.85 115.64 109.49 1wpb s THR 10 Ca 0.71 0.24 0.06 0.00 -1.18 0.00 0.00 61.69 61.52 1wpb s THR 10 Cb -0.25 -3.25 0.15 0.00 1.34 0.00 0.00 72.50 70.49 1wpb s THR 10 CO 0.41 -0.32 1.87 0.78 -0.54 0.00 0.00 174.62 176.82 1wpb h ASN 11 N -0.83 0.40 -0.43 3.99 4.21 -1.99 -0.54 115.58 120.40 1wpb h ASN 11 Ca -0.45 -0.08 0.03 0.00 1.21 0.00 0.00 56.30 57.00 1wpb h ASN 11 Cb 1.29 -0.11 -0.04 0.00 -1.12 0.00 0.00 38.32 38.35 1wpb h ASN 11 CO 0.65 0.52 0.22 0.00 -1.29 0.00 0.00 177.43 177.53 1wpb h ALA 12 N 1.53 0.53 -0.84 -0.83 0.00 -1.99 -1.01 119.26 116.65 1wpb h ALA 12 Ca 0.08 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1wpb h ALA 12 Cb 0.38 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1wpb h ALA 12 CO 0.02 -0.14 0.46 1.96 0.00 0.00 0.00 179.25 181.55 1wpb h GLN 13 N 0.44 1.16 -0.63 0.00 4.20 -1.68 -0.50 115.11 118.10 1wpb h GLN 13 Ca 0.18 -0.13 0.01 0.00 0.06 0.00 0.00 58.65 58.77 1wpb h GLN 13 Cb 0.08 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 1wpb h GLN 13 CO -0.12 0.85 0.41 0.00 -0.67 0.00 0.00 178.83 179.29 1wpb h ARG 14 N 1.17 0.80 -0.32 1.46 2.47 -0.70 -0.05 114.38 119.22 1wpb h ARG 14 Ca 0.30 -0.05 -0.10 0.00 -1.26 0.00 0.00 59.98 58.87 1wpb h ARG 14 Cb 0.02 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.15 1wpb h ARG 14 CO -0.05 0.53 -0.20 1.25 0.56 0.00 0.00 179.97 182.07 1wpb h LEU 15 N 0.83 0.72 -0.70 3.04 5.85 -0.72 0.52 115.31 124.85 1wpb h LEU 15 Ca 0.24 -0.43 0.08 0.00 0.84 0.00 0.00 57.88 58.61 1wpb h LEU 15 Cb -0.07 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.70 1wpb h LEU 15 CO -0.06 0.99 0.37 0.40 -0.34 0.00 0.00 178.44 179.80 1wpb h ILE 16 N 0.45 0.91 -0.16 4.05 2.04 -0.97 -0.10 117.51 123.72 1wpb h ILE 16 Ca 0.06 -0.23 -0.08 0.00 1.00 0.00 0.00 64.86 65.62 1wpb h ILE 16 Cb 0.74 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1wpb h ILE 16 CO 0.06 0.12 -0.22 -0.07 0.00 0.00 0.00 178.15 178.03 1wpb h LEU 17 N 0.66 0.47 -0.64 1.44 3.38 -0.79 -2.06 115.31 117.77 1wpb h LEU 17 Ca 0.33 -0.51 0.09 0.00 0.09 0.00 0.00 57.88 57.88 1wpb h LEU 17 Cb 0.28 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.83 1wpb h LEU 17 CO -0.23 0.89 0.28 -1.28 0.09 0.00 0.00 178.44 178.19 1wpb h SER 18 N 0.07 0.32 -0.85 -0.43 0.87 -0.70 -1.19 113.55 111.65 1wpb h SER 18 Ca 0.02 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1wpb h SER 18 Cb 0.78 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.73 1wpb h SER 18 CO 0.05 0.19 0.52 0.78 -0.53 0.00 0.00 176.83 177.84 1wpb h ASN 19 N 0.49 1.02 -0.45 6.23 2.35 -0.93 -1.82 115.58 122.46 1wpb h ASN 19 Ca 0.32 -0.06 0.01 0.00 -0.55 0.00 0.00 56.30 56.02 1wpb h ASN 19 Cb 0.36 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 1wpb h ASN 19 CO -0.28 0.78 0.29 1.56 -1.65 0.00 0.00 177.43 178.13 1wpb h GLN 20 N 1.17 0.58 -0.55 0.81 4.20 -0.60 -0.06 115.11 120.65 1wpb h GLN 20 Ca 0.31 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 1wpb h GLN 20 Cb -0.06 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.56 1wpb h GLN 20 CO -0.06 0.38 0.31 1.88 -0.67 0.00 0.00 178.83 180.67 1wpb h TYR 21 N 0.59 0.74 -0.16 2.96 0.05 -1.02 0.26 116.97 120.39 1wpb h TYR 21 Ca 0.17 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.93 1wpb h TYR 21 Cb -0.05 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 37.44 1wpb h TYR 21 CO -0.05 0.51 0.04 0.87 -1.05 0.00 0.00 178.16 178.49 1wpb h LYS 22 N 0.77 0.25 -0.68 4.88 1.57 -0.97 -2.04 116.57 120.34 1wpb h LYS 22 Ca 0.20 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.85 1wpb h LYS 22 Cb 0.01 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1wpb h LYS 22 CO -0.03 0.39 0.15 0.52 -0.57 0.00 0.00 179.45 179.90 1wpb h MET 23 N 0.07 1.10 -0.66 3.15 2.86 -0.48 -1.81 114.93 119.16 1wpb h MET 23 Ca 0.05 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.41 1wpb h MET 23 Cb 0.25 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 1wpb h MET 23 CO -0.00 0.98 0.38 0.52 1.06 0.00 0.00 176.91 179.85 1wpb h MET 24 N 1.04 0.90 -0.58 1.72 2.86 -0.43 0.13 114.93 120.57 1wpb h MET 24 Ca 0.21 -0.09 -0.06 0.00 -2.06 0.00 0.00 59.70 57.71 1wpb h MET 24 Cb 0.39 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1wpb h MET 24 CO 0.01 0.65 0.14 1.15 1.06 0.00 0.00 176.91 179.92 1wpb h THR 25 N 0.91 1.25 -0.56 2.22 2.02 -1.13 0.25 112.91 117.87 1wpb h THR 25 Ca 0.24 -0.89 -0.00 0.00 0.77 0.00 0.00 66.41 66.52 1wpb h THR 25 Cb -0.00 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 1wpb h THR 25 CO -0.04 0.33 0.34 0.24 0.37 0.00 0.00 175.52 176.76 1wpb h MET 26 N 0.83 0.77 -0.08 6.66 2.86 -0.56 -2.83 114.93 122.58 1wpb h MET 26 Ca 0.18 -0.07 -0.20 0.00 -2.06 0.00 0.00 59.70 57.55 1wpb h MET 26 Cb 0.34 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.84 1wpb h MET 26 CO 0.00 0.55 -0.79 -0.07 1.06 0.00 0.00 176.91 177.66 1wpb h LEU 27 N 0.76 0.63 -6.02 1.22 3.38 -0.83 -3.40 115.31 111.04 1wpb h LEU 27 Ca 0.20 -0.43 -0.56 0.00 0.09 0.00 0.00 57.88 57.18 1wpb h LEU 27 Cb -0.02 -0.19 -0.39 0.00 0.09 0.00 0.00 40.66 40.15 1wpb h LEU 27 CO -0.04 1.20 -1.05 -0.67 0.09 0.00 0.00 178.44 177.97 1wpb n ASP 28 N -3.85 0.55 0.09 -0.43 2.03 0.88 -4.97 116.55 110.85 1wpb n ASP 28 Ca -0.06 -2.77 0.19 0.00 0.52 0.00 0.00 54.79 52.67 1wpb n ASP 28 Cb 0.75 -0.64 0.74 0.00 -0.72 0.00 0.00 41.12 41.25 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 4.03 0.00 -0.01 -0.67 0.13 -1.71 -1.74 132.00 132.04 1wpb h PRO 29 Ca 0.09 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.20 1wpb h PRO 29 Cb 0.86 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.98 1wpb h PRO 29 CO 0.50 0.00 -0.08 0.00 -0.23 0.00 0.00 178.00 178.19 1wpb h ALA 30 N 1.70 1.85 -0.52 -0.56 0.00 -1.93 -2.24 119.26 117.56 1wpb h ALA 30 Ca 0.18 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1wpb h ALA 30 Cb 0.84 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1wpb h ALA 30 CO -0.00 0.11 0.05 0.09 0.00 0.00 0.00 179.25 179.50 1wpb n ASN 31 N -4.44 4.96 0.27 0.00 3.02 -0.65 -4.64 115.26 113.79 1wpb n ASN 31 Ca -0.03 -3.05 0.10 0.00 -0.03 0.00 0.00 54.58 51.57 1wpb n ASN 31 Cb 0.16 -0.66 0.71 0.00 -0.61 0.00 0.00 39.78 39.38 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 3.04 1.88 -0.47 5.41 0.00 -1.46 -1.08 119.26 126.57 1wpb h ALA 32 Ca 0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1wpb h ALA 32 Cb 1.91 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.67 1wpb h ALA 32 CO 0.47 0.00 0.24 1.49 0.00 0.00 0.00 179.25 181.46 1wpb h GLU 33 N 0.00 0.66 -0.30 0.00 4.81 -1.83 0.20 114.58 118.12 1wpb h GLU 33 Ca -0.00 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1wpb h GLU 33 Cb 0.00 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1wpb h GLU 33 CO 0.00 0.54 0.13 0.00 -0.73 0.00 0.00 179.01 178.95 1wpb h ARG 34 N 0.62 0.43 -0.28 1.92 3.08 -1.60 -2.43 114.38 116.12 1wpb h ARG 34 Ca 0.16 -0.07 -0.15 0.00 0.07 0.00 0.00 59.98 59.99 1wpb h ARG 34 Cb 0.08 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1wpb h ARG 34 CO -0.02 0.42 -0.45 1.88 -1.07 0.00 0.00 179.97 180.73 1wpb h TYR 35 N 0.34 0.88 -0.38 3.04 0.05 -0.86 -2.56 116.97 117.47 1wpb h TYR 35 Ca 0.10 -0.28 -0.11 0.00 0.05 0.00 0.00 58.73 58.50 1wpb h TYR 35 Cb 0.14 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.69 1wpb h TYR 35 CO -0.01 1.04 -0.20 -0.09 -1.05 0.00 0.00 178.16 177.85 1wpb h ARG 36 N 0.58 0.72 -0.04 4.88 9.65 -0.67 -0.42 114.38 129.08 1wpb h ARG 36 Ca 0.04 -0.28 -0.00 0.00 -1.10 0.00 0.00 59.98 58.64 1wpb h ARG 36 Cb 1.00 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.54 1wpb h ARG 36 CO 0.10 0.87 0.02 -0.09 2.80 0.00 0.00 179.97 183.67 1wpb h ARG 37 N 0.64 0.06 -0.81 0.20 2.43 -1.34 -1.31 114.38 114.25 1wpb h ARG 37 Ca 0.09 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 1wpb h ARG 37 Cb 0.69 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.19 1wpb h ARG 37 CO 0.05 0.10 0.37 -0.07 -1.51 0.00 0.00 179.97 178.91 1wpb h LEU 38 N 0.00 1.08 -0.22 3.80 3.38 -1.33 -1.92 115.31 120.11 1wpb h LEU 38 Ca 0.02 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.86 1wpb h LEU 38 Cb 0.06 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1wpb h LEU 38 CO -0.00 0.93 0.07 -0.61 0.09 0.00 0.00 178.44 178.91 1wpb h GLN 39 N 1.16 0.16 -0.50 1.13 4.15 -0.89 -1.42 115.11 118.91 1wpb h GLN 39 Ca 0.28 -0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.78 1wpb h GLN 39 Cb 0.15 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 27.73 1wpb h GLN 39 CO -0.03 0.11 0.08 1.15 -1.93 0.00 0.00 178.83 178.21 1wpb h THR 40 N 0.17 0.69 -0.88 2.39 2.02 -1.08 0.66 112.91 116.88 1wpb h THR 40 Ca 0.09 -0.07 0.01 0.00 0.77 0.00 0.00 66.41 67.21 1wpb h THR 40 Cb 0.06 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 66.90 1wpb h THR 40 CO -0.10 0.04 0.58 0.40 0.37 0.00 0.00 175.52 176.81 1wpb h ILE 41 N 0.21 1.22 -0.01 3.11 2.04 -0.98 -0.01 117.51 123.09 1wpb h ILE 41 Ca 0.25 -0.41 -0.06 0.00 1.00 0.00 0.00 64.86 65.64 1wpb h ILE 41 Cb 0.35 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1wpb h ILE 41 CO -0.35 0.22 -0.25 0.40 0.00 0.00 0.00 178.15 178.17 1wpb h ILE 42 N 1.18 1.53 -0.23 -0.67 1.08 -0.99 -0.11 117.51 119.31 1wpb h ILE 42 Ca 0.33 -1.91 0.04 0.00 -0.39 0.00 0.00 64.86 62.93 1wpb h ILE 42 Cb -0.12 2.72 -0.04 0.00 -3.07 0.00 0.00 36.82 36.31 1wpb h ILE 42 CO -0.08 0.52 -0.02 -0.33 -0.69 0.00 0.00 178.15 177.56 1wpb h GLU 43 N -0.48 0.05 -0.00 2.37 5.08 -0.77 -2.90 114.58 117.93 1wpb h GLU 43 Ca -0.03 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1wpb h GLU 43 Cb 0.99 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1wpb h GLU 43 CO 0.05 0.03 -0.20 0.54 -1.00 0.00 0.00 179.01 178.43 1wpb n ARG 44 N -5.16 0.20 -3.37 2.33 1.74 -0.03 -4.96 116.66 107.42 1wpb n ARG 44 Ca -0.02 -0.07 -0.18 0.00 -0.77 0.00 0.00 57.85 56.82 1wpb n ARG 44 Cb 0.13 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.15 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 1.44 -0.33 3.58 -0.13 0.00 -0.14 -4.89 105.19 104.71 1wpb n GLY 45 Ca 0.09 0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.32 2.21 0.28 1.61 2.02 -0.69 -4.87 117.35 114.60 1wpb s TYR 46 Ca 0.17 0.52 0.02 0.00 -0.37 0.00 0.00 57.07 57.41 1wpb s TYR 46 Cb -0.07 -4.34 0.42 0.00 -0.40 0.00 0.00 41.96 37.57 1wpb s TYR 46 CO 0.67 -2.07 1.74 0.78 -1.57 0.00 0.00 175.55 175.10 1wpb h GLY 47 N 13.33 0.57 0.86 0.71 0.00 -1.90 -1.41 103.07 115.22 1wpb h GLY 47 Ca -0.27 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 46.61 1wpb h GLY 47 CO 1.16 0.40 0.06 -2.00 0.00 0.00 0.00 176.54 176.16 1wpb h LEU 48 N 0.47 0.27 -1.36 3.11 5.85 -2.00 -1.66 115.31 119.99 1wpb h LEU 48 Ca 0.08 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.53 1wpb h LEU 48 Cb 0.60 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1wpb h LEU 48 CO 0.04 0.40 -0.24 1.56 -0.34 0.00 0.00 178.44 179.86 1wpb h GLN 49 N 0.12 0.11 -0.35 1.25 7.50 -1.91 -2.18 115.11 119.66 1wpb h GLN 49 Ca 0.06 -0.03 -0.07 0.00 0.50 0.00 0.00 58.65 59.11 1wpb h GLN 49 Cb 0.23 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.73 1wpb h GLN 49 CO -0.00 0.36 -0.06 0.52 -1.50 0.00 0.00 178.83 178.15 1wpb h MET 50 N 0.11 0.58 -0.61 1.46 2.86 -1.06 -1.67 114.93 116.60 1wpb h MET 50 Ca 0.02 -0.15 -0.08 0.00 -2.06 0.00 0.00 59.70 57.43 1wpb h MET 50 Cb 0.49 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 1wpb h MET 50 CO 0.03 0.64 0.07 -0.09 1.06 0.00 0.00 176.91 178.63 1wpb h ARG 51 N 0.54 1.01 -0.43 1.72 2.43 -0.75 -1.88 114.38 117.03 1wpb h ARG 51 Ca 0.11 -0.27 -0.03 0.00 -0.81 0.00 0.00 59.98 58.98 1wpb h ARG 51 Cb 0.43 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 1wpb h ARG 51 CO 0.02 0.94 0.15 0.93 -1.51 0.00 0.00 179.97 180.50 1wpb h GLU 52 N 0.94 0.62 -0.52 0.20 5.08 -0.88 -2.13 114.58 117.89 1wpb h GLU 52 Ca 0.18 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1wpb h GLU 52 Cb 0.45 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1wpb h GLU 52 CO 0.02 0.53 0.20 -0.07 -1.00 0.00 0.00 179.01 178.69 1wpb h LEU 53 N 0.61 0.72 -0.96 1.33 3.38 -0.55 -2.76 115.31 117.08 1wpb h LEU 53 Ca 0.15 -0.17 0.18 0.00 0.09 0.00 0.00 57.88 58.13 1wpb h LEU 53 Cb 0.16 -0.19 -0.11 0.00 0.09 0.00 0.00 40.66 40.62 1wpb h LEU 53 CO -0.01 0.70 0.56 0.44 0.09 0.00 0.00 178.44 180.22 1wpb h ASP 54 N 0.70 0.70 0.72 -0.43 3.32 -0.76 -1.60 116.42 119.07 1wpb h ASP 54 Ca 0.17 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1wpb h ASP 54 Cb 0.21 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1wpb h ASP 54 CO -0.01 0.24 0.00 0.54 -1.72 0.00 0.00 179.24 178.29 1wpb n ARG 55 N -4.81 0.12 0.00 3.56 5.12 -0.99 -1.81 116.66 117.86 1wpb n ARG 55 Ca 0.22 0.33 0.14 0.00 -1.93 0.00 0.00 57.85 56.61 1wpb n ARG 55 Cb 0.55 -1.72 0.66 0.00 -1.16 0.00 0.00 32.46 30.79 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 -1.95 0.13 -4.41 5.56 1.02 -0.60 -4.79 120.64 115.60 1wpb n GLU 56 Ca 0.03 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.84 1wpb n GLU 56 Cb 0.23 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.01 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 -2.87 2.93 0.03 -0.32 0.08 -0.75 -5.12 117.98 111.97 1wpb s PHE 57 Ca 0.18 -0.59 0.00 0.00 0.12 0.00 0.00 56.93 56.64 1wpb s PHE 57 Cb 0.19 -1.96 0.00 0.00 -0.57 0.00 0.00 43.02 40.69 1wpb s PHE 57 CO 0.50 -0.24 0.01 0.41 -0.10 0.00 0.00 175.22 175.81 1wpb n GLY 58 N 3.87 3.53 3.38 4.36 0.00 -1.26 -5.02 105.19 114.05 1wpb n GLY 58 Ca -0.18 -2.19 -0.11 0.00 0.00 0.00 0.00 46.02 43.54 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 -2.11 0.53 -0.24 1.61 2.12 -1.26 -5.11 118.70 114.24 1wpb s GLU 59 Ca 0.01 0.82 -0.01 0.00 0.36 0.00 0.00 54.97 56.15 1wpb s GLU 59 Cb -0.00 0.13 0.07 0.00 0.26 0.00 0.00 34.13 34.60 1wpb s GLU 59 CO 0.01 -0.12 0.03 -1.17 -0.54 0.00 0.00 175.26 173.47 1wpb s LEU 60 N 0.95 1.93 0.37 2.70 2.96 -1.26 -5.12 118.68 121.21 1wpb s LEU 60 Ca -0.06 -1.19 -0.26 0.00 -0.22 0.00 0.00 54.13 52.41 1wpb s LEU 60 Cb -0.06 -0.85 -0.12 0.00 0.50 0.00 0.00 46.19 45.67 1wpb s LEU 60 CO -0.08 -0.32 0.98 0.29 -1.32 0.00 0.00 176.35 175.89 1wpb n LYS 61 N 4.88 1.31 -0.32 1.98 5.02 -1.26 -4.69 118.16 125.07 1wpb n LYS 61 Ca -0.07 0.47 0.03 0.00 -2.02 0.00 0.00 58.31 56.72 1wpb n LYS 61 Cb 0.45 -1.93 0.11 0.00 -0.02 0.00 0.00 35.03 33.63 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 1.67 -0.01 -0.29 1.97 4.81 -2.00 -0.55 114.58 120.19 1wpb h GLU 62 Ca -0.42 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.73 1wpb h GLU 62 Cb 1.34 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.71 1wpb h GLU 62 CO 0.58 -0.01 -0.15 0.93 -0.73 0.00 0.00 179.01 179.64 1wpb h GLU 63 N -0.01 0.51 -0.19 1.92 4.39 -1.99 -0.26 114.58 118.95 1wpb h GLU 63 Ca 0.42 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.95 1wpb h GLU 63 Cb 0.65 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1wpb h GLU 63 CO -0.93 0.65 0.07 1.15 -1.16 0.00 0.00 179.01 178.80 1wpb h THR 64 N 0.47 1.16 -0.47 1.13 2.02 -1.54 -0.77 112.91 114.91 1wpb h THR 64 Ca 0.08 -0.49 0.09 0.00 0.77 0.00 0.00 66.41 66.87 1wpb h THR 64 Cb 0.53 1.14 -0.08 0.00 -1.74 0.00 0.00 68.15 68.00 1wpb h THR 64 CO 0.03 0.16 -0.06 0.00 0.37 0.00 0.00 175.52 176.02 1wpb h ARG 66 N 0.05 1.27 -0.48 0.00 3.08 -0.93 -2.19 114.38 115.18 1wpb h ARG 66 Ca 0.23 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 1wpb h ARG 66 Cb 0.35 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1wpb h ARG 66 CO -0.44 0.92 0.18 1.15 -1.07 0.00 0.00 179.97 180.71 1wpb h THR 67 N 1.28 1.21 -0.49 2.04 2.02 -0.77 0.83 112.91 119.04 1wpb h THR 67 Ca 0.33 -0.67 0.05 0.00 0.77 0.00 0.00 66.41 66.89 1wpb h THR 67 Cb -0.00 0.76 -0.05 0.00 -1.74 0.00 0.00 68.15 67.12 1wpb h THR 67 CO -0.06 0.25 0.24 0.40 0.37 0.00 0.00 175.52 176.72 1wpb h ILE 68 N 0.63 0.93 -0.42 3.11 2.04 -1.20 0.18 117.51 122.79 1wpb h ILE 68 Ca 0.16 -0.16 -0.07 0.00 1.00 0.00 0.00 64.86 65.79 1wpb h ILE 68 Cb 0.21 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 1wpb h ILE 68 CO -0.01 0.08 -0.04 0.40 0.00 0.00 0.00 178.15 178.58 1wpb h ILE 69 N 0.46 1.24 -0.43 -0.67 2.04 -0.99 -2.25 117.51 116.91 1wpb h ILE 69 Ca 0.22 -1.01 -0.10 0.00 1.00 0.00 0.00 64.86 64.98 1wpb h ILE 69 Cb 0.15 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1wpb h ILE 69 CO -0.17 0.35 -0.13 -0.78 0.00 0.00 0.00 178.15 177.42 1wpb h ASP 70 N 0.65 0.77 -0.62 1.72 3.58 -0.08 0.49 116.42 122.93 1wpb h ASP 70 Ca 0.13 -0.24 -0.07 0.00 0.42 0.00 0.00 57.03 57.26 1wpb h ASP 70 Cb 0.47 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.28 1wpb h ASP 70 CO 0.02 0.92 0.11 0.40 -2.88 0.00 0.00 179.24 177.81 1wpb h ILE 71 N 0.70 1.26 -0.49 2.25 2.04 -0.33 0.12 117.51 123.06 1wpb h ILE 71 Ca 0.11 -0.99 -0.03 0.00 1.00 0.00 0.00 64.86 64.95 1wpb h ILE 71 Cb 0.62 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1wpb h ILE 71 CO 0.04 0.37 0.19 0.24 0.00 0.00 0.00 178.15 178.99 1wpb h MET 72 N 0.94 0.74 -0.64 2.37 2.86 -0.83 -2.01 114.93 118.35 1wpb h MET 72 Ca 0.19 -0.14 0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1wpb h MET 72 Cb 0.41 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 1wpb h MET 72 CO 0.01 0.67 0.43 1.49 1.06 0.00 0.00 176.91 180.57 1wpb h GLU 73 N 0.65 0.82 -0.38 1.72 4.57 -0.54 -0.67 114.58 120.74 1wpb h GLU 73 Ca 0.16 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.27 1wpb h GLU 73 Cb 0.21 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 1wpb h GLU 73 CO -0.01 0.54 0.16 1.98 -1.18 0.00 0.00 179.01 180.50 1wpb h MET 74 N 0.84 0.57 -0.16 1.92 4.05 -0.42 -0.12 114.93 121.61 1wpb h MET 74 Ca 0.24 -0.10 -0.07 0.00 -0.28 0.00 0.00 59.70 59.50 1wpb h MET 74 Cb -0.05 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 30.64 1wpb h MET 74 CO -0.06 0.53 -0.20 1.88 0.23 0.00 0.00 176.91 179.29 1wpb h TYR 75 N 0.47 0.30 -0.20 1.39 0.05 -0.96 0.33 116.97 118.35 1wpb h TYR 75 Ca 0.13 -0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.84 1wpb h TYR 75 Cb 0.17 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.82 1wpb h TYR 75 CO -0.00 0.47 0.06 1.25 -1.05 0.00 0.00 178.16 178.89 1wpb h HIS 76 N 0.26 0.33 -0.87 4.88 2.76 -0.75 -0.60 115.15 121.16 1wpb h HIS 76 Ca 0.05 -0.04 0.03 0.00 -2.20 0.00 0.00 60.37 58.20 1wpb h HIS 76 Cb 0.51 -0.09 -0.05 0.00 1.55 0.00 0.00 27.41 29.33 1wpb h HIS 76 CO 0.01 0.42 0.57 0.00 -1.30 0.00 0.00 177.93 177.63 1wpb h ALA 77 N 0.87 1.14 -0.24 5.26 0.00 -0.59 -1.15 119.26 124.55 1wpb h ALA 77 Ca 0.06 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 1wpb h ALA 77 Cb 0.25 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1wpb h ALA 77 CO -0.00 0.44 -0.40 -0.07 0.00 0.00 0.00 179.25 179.22 1wpb h LEU 78 N 1.12 0.76 -0.15 0.00 3.38 -0.21 -2.28 115.31 117.93 1wpb h LEU 78 Ca 0.34 -0.53 -0.22 0.00 0.09 0.00 0.00 57.88 57.56 1wpb h LEU 78 Cb -0.04 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.50 1wpb h LEU 78 CO -0.10 1.15 -0.75 -0.74 0.09 0.00 0.00 178.44 178.09 1wpb h HIS 79 N 0.41 1.04 0.12 1.13 2.76 -0.94 -0.75 115.15 118.91 1wpb h HIS 79 Ca 0.02 -0.46 -0.01 0.00 -2.20 0.00 0.00 60.37 57.72 1wpb h HIS 79 Cb 1.00 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.80 1wpb h HIS 79 CO 0.08 1.29 -0.06 0.28 -1.30 0.00 0.00 177.93 178.22 1wpb h VAL 80 N 0.49 0.92 -0.72 5.26 2.07 -1.29 -1.27 116.25 121.71 1wpb h VAL 80 Ca -0.05 -0.14 0.12 0.00 0.82 0.00 0.00 66.70 67.45 1wpb h VAL 80 Cb 1.38 1.01 -0.08 0.00 -1.52 0.00 0.00 31.29 32.07 1wpb h VAL 80 CO 0.15 0.03 0.31 0.28 0.02 0.00 0.00 177.57 178.36 1wpb h SER 81 N -0.23 0.33 -0.00 0.57 0.02 -1.36 -1.40 113.55 111.47 1wpb h SER 81 Ca -0.02 0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 60.96 1wpb h SER 81 Cb 0.18 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 1wpb h SER 81 CO 0.03 0.16 -0.16 -0.25 -1.14 0.00 0.00 176.83 175.46 1wpb h TRP 82 N 0.49 0.35 0.00 3.45 7.01 -1.00 -2.63 115.95 123.62 1wpb h TRP 82 Ca 0.38 -0.05 0.00 0.00 2.11 0.00 0.00 58.89 61.33 1wpb h TRP 82 Cb 0.51 -0.09 0.00 0.00 -2.10 0.00 0.00 29.16 27.48 1wpb h TRP 82 CO -0.15 0.48 0.00 0.66 -2.79 0.00 0.00 178.44 176.64 1wpb h SER 83 N 0.30 0.00 -0.11 2.65 4.64 -0.21 -3.08 113.55 117.74 1wpb h SER 83 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1wpb h SER 83 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1wpb h SER 83 CO 0.03 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.58 1wpb n ASN 84 N -2.42 2.40 -4.68 4.97 3.02 -0.68 -4.93 115.26 112.93 1wpb n ASN 84 Ca 0.05 -1.80 -0.42 0.00 -0.03 0.00 0.00 54.58 52.38 1wpb n ASN 84 Cb 0.42 -0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.50 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 -1.84 4.25 0.04 3.41 1.43 -1.15 -4.94 118.68 119.88 1wpb s LEU 85 Ca 0.34 1.75 -0.28 0.00 -1.03 0.00 0.00 54.13 54.91 1wpb s LEU 85 Cb 0.20 -3.55 -0.15 0.00 0.03 0.00 0.00 46.19 42.72 1wpb s LEU 85 CO 0.31 -0.59 1.41 1.56 0.23 0.00 0.00 176.35 179.26 1wpb h GLN 86 N 7.52 -0.96 -4.03 1.70 4.20 -1.91 -3.32 115.11 118.31 1wpb h GLN 86 Ca -0.32 0.07 -0.77 0.00 0.06 0.00 0.00 58.65 57.68 1wpb h GLN 86 Cb 1.15 0.22 -0.25 0.00 0.30 0.00 0.00 27.48 28.90 1wpb h GLN 86 CO 0.89 -0.64 0.14 0.34 -0.67 0.00 0.00 178.83 178.90 1wpb s ASP 87 N -3.46 6.66 -0.72 1.46 3.68 -1.26 -4.98 116.67 118.05 1wpb s ASP 87 Ca -0.14 -2.46 -0.26 0.00 2.13 0.00 0.00 52.55 51.81 1wpb s ASP 87 Cb 0.01 -2.24 0.00 0.00 -1.45 0.00 0.00 42.92 39.25 1wpb s ASP 87 CO 0.43 -0.68 1.61 0.00 0.13 0.00 0.00 175.17 176.66 1wpb s GLN 88 N 0.72 2.92 -0.69 4.34 -2.07 -1.25 -4.89 119.66 118.74 1wpb s GLN 88 Ca 0.18 0.05 -0.26 0.00 -1.82 0.00 0.00 55.36 53.51 1wpb s GLN 88 Cb -0.12 -4.45 -0.22 0.00 -1.09 0.00 0.00 33.01 27.13 1wpb s GLN 88 CO -0.07 -2.52 1.86 0.00 -1.32 0.00 0.00 175.29 173.24 1wpb n GLN 89 N 9.21 0.85 -2.16 9.60 10.64 -1.26 -4.14 117.38 140.12 1wpb n GLN 89 Ca 0.16 -1.71 0.00 0.00 -1.83 0.00 0.00 57.00 53.63 1wpb n GLN 89 Cb 0.50 -3.14 0.00 0.00 -0.86 0.00 0.00 30.24 26.74 1wpb n GLN 89 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1wpb n SER 90 N 11.51 -0.81 -4.63 2.61 7.64 -1.26 -4.89 113.62 123.79 1wpb n SER 90 Ca 0.46 0.40 -0.43 0.00 1.01 0.00 0.00 58.87 60.32 1wpb n SER 90 Cb 0.43 -0.86 -0.03 0.00 -1.01 0.00 0.00 64.21 62.74 1wpb n SER 90 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1wpb s ILE 91 N -1.72 3.30 -0.01 0.44 1.01 -1.26 -4.94 121.20 118.01 1wpb s ILE 91 Ca 0.00 0.34 -0.30 0.00 0.00 0.00 0.00 60.65 60.69 1wpb s ILE 91 Cb 0.00 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 1wpb s ILE 91 CO 0.00 -0.11 1.12 -0.62 0.00 0.00 0.00 174.94 175.33 1wpb s ASP 92 N 5.34 7.16 0.45 3.58 3.68 -1.26 -4.93 116.67 130.69 1wpb s ASP 92 Ca 0.85 1.81 0.12 0.00 2.13 0.00 0.00 52.55 57.45 1wpb s ASP 92 Cb -0.33 -2.57 1.04 0.00 -1.45 0.00 0.00 42.92 39.61 1wpb s ASP 92 CO 0.35 -0.46 2.06 -0.08 0.13 0.00 0.00 175.17 177.17 1wpb h GLU 93 N 7.05 0.33 -0.97 4.34 4.81 -1.97 -1.00 114.58 127.18 1wpb h GLU 93 Ca -0.38 -0.02 0.32 0.00 -0.13 0.00 0.00 59.36 59.15 1wpb h GLU 93 Cb 1.19 -0.08 -0.16 0.00 0.63 0.00 0.00 28.75 30.33 1wpb h GLU 93 CO 0.83 0.22 0.37 -0.09 -0.73 0.00 0.00 179.01 179.61 1wpb h ARG 94 N 0.34 0.13 -0.00 1.92 1.12 -1.94 -1.00 114.38 114.96 1wpb h ARG 94 Ca 0.14 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.01 1wpb h ARG 94 Cb 0.15 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.08 1wpb h ARG 94 CO -0.03 0.09 -0.04 0.54 -3.11 0.00 0.00 179.97 177.42 1wpb n ARG 95 N -5.25 0.13 -0.38 0.20 1.74 -0.38 -2.74 116.66 109.99 1wpb n ARG 95 Ca 0.29 -0.01 0.07 0.00 -0.77 0.00 0.00 57.85 57.43 1wpb n ARG 95 Cb 0.96 -1.50 0.20 0.00 -1.02 0.00 0.00 32.46 31.10 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 -1.43 2.17 -4.65 1.55 3.14 -0.40 -4.90 118.33 113.81 1wpb n VAL 96 Ca 0.09 -2.31 -0.30 0.00 -2.96 0.00 0.00 64.34 58.86 1wpb n VAL 96 Cb 0.31 -0.26 -0.17 0.00 -1.06 0.00 0.00 33.84 32.67 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 -2.96 1.70 -0.02 1.55 2.01 -1.06 -4.19 115.64 112.68 1wpb s THR 97 Ca 0.38 -0.78 -0.30 0.00 0.31 0.00 0.00 61.69 61.31 1wpb s THR 97 Cb 0.33 -1.52 -0.07 0.00 0.01 0.00 0.00 72.50 71.25 1wpb s THR 97 CO 0.04 0.48 1.75 0.12 -0.69 0.00 0.00 174.62 176.31 1wpb s PHE 98 N 0.81 1.81 -0.15 4.92 5.36 -1.26 -4.89 117.98 124.58 1wpb s PHE 98 Ca -0.09 0.01 0.21 0.00 -0.96 0.00 0.00 56.93 56.10 1wpb s PHE 98 Cb -0.16 -4.02 -0.13 0.00 -0.34 0.00 0.00 43.02 38.37 1wpb s PHE 98 CO 0.01 -4.37 0.79 1.28 -1.46 0.00 0.00 175.22 171.47 1wpb n LEU 99 N 7.11 0.57 0.00 6.12 4.77 -1.26 -4.87 117.00 129.44 1wpb n LEU 99 Ca 0.18 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1wpb n LEU 99 Cb 0.42 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1wpb n LEU 99 CO 0.64 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1wpb n GLY 100 N 1.27 -0.16 3.44 -0.72 0.00 -1.26 -3.41 105.19 104.35 1wpb n GLY 100 Ca -0.05 -1.85 -0.22 0.00 0.00 0.00 0.00 46.02 43.90 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 1.82 -0.30 1.61 0.08 -0.63 -4.62 117.98 115.94 1wpb s PHE 101 Ca 0.00 -1.11 -0.26 0.00 0.12 0.00 0.00 56.93 55.68 1wpb s PHE 101 Cb 0.00 -1.16 0.01 0.00 -0.57 0.00 0.00 43.02 41.30 1wpb s PHE 101 CO 0.00 -0.17 0.91 0.34 -0.10 0.00 0.00 175.22 176.21 1wpb s ASP 102 N -3.48 6.81 0.22 1.36 2.15 -1.25 0.38 116.67 122.86 1wpb s ASP 102 Ca 0.33 0.90 -0.08 0.00 0.43 0.00 0.00 52.55 54.13 1wpb s ASP 102 Cb 0.07 -2.47 0.36 0.00 -0.30 0.00 0.00 42.92 40.58 1wpb s ASP 102 CO 0.15 -0.70 1.69 0.00 -0.17 0.00 0.00 175.17 176.13 1wpb h ALA 103 N 8.01 0.79 -0.19 3.66 0.00 -1.91 0.30 119.26 129.93 1wpb h ALA 103 Ca -0.22 0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 1wpb h ALA 103 Cb 1.08 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1wpb h ALA 103 CO 0.94 -0.34 -0.50 0.00 0.00 0.00 0.00 179.25 179.36 1wpb h ALA 104 N 1.55 0.31 -0.00 0.00 0.00 -1.95 -3.28 119.26 115.89 1wpb h ALA 104 Ca 0.36 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1wpb h ALA 104 Cb 0.58 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1wpb h ALA 104 CO -0.47 0.49 -0.32 0.25 0.00 0.00 0.00 179.25 179.20 1wpb n THR 105 N -4.16 0.00 -2.46 0.00 -2.24 -1.18 -4.66 114.28 99.58 1wpb n THR 105 Ca -0.06 -0.34 -0.12 0.00 -2.27 0.00 0.00 64.05 61.25 1wpb n THR 105 Cb 0.60 1.02 0.03 0.00 -2.10 0.00 0.00 70.33 69.88 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 -0.99 2.59 -0.12 -0.78 1.02 0.11 -4.91 120.64 117.56 1wpb n GLU 106 Ca 0.02 -3.83 -0.05 0.00 -0.02 0.00 0.00 57.16 53.28 1wpb n GLU 106 Cb 0.13 -1.91 0.13 0.00 -0.02 0.00 0.00 31.44 29.78 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 2.45 1.05 -0.68 0.62 0.00 -1.61 -0.66 119.26 120.43 1wpb h ALA 107 Ca 0.10 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.78 1wpb h ALA 107 Cb 1.36 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 1wpb h ALA 107 CO 0.48 0.59 0.45 0.00 0.00 0.00 0.00 179.25 180.77 1wpb h ARG 108 N 0.78 0.75 0.06 0.00 3.08 -1.91 -1.67 114.38 115.47 1wpb h ARG 108 Ca 0.15 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 60.05 1wpb h ARG 108 Cb 0.48 -0.17 0.01 0.00 0.08 0.00 0.00 29.97 30.38 1wpb h ARG 108 CO 0.02 0.50 -0.44 1.88 -1.07 0.00 0.00 179.97 180.86 1wpb h TYR 109 N 0.78 0.33 -0.54 3.04 0.05 -1.65 -2.16 116.97 116.81 1wpb h TYR 109 Ca 0.28 -0.22 0.07 0.00 0.05 0.00 0.00 58.73 58.90 1wpb h TYR 109 Cb 0.13 -0.02 -0.06 0.00 1.01 0.00 0.00 36.73 37.79 1wpb h TYR 109 CO -0.00 1.14 0.23 1.25 -1.05 0.00 0.00 178.16 179.73 1wpb h LEU 110 N -0.58 0.29 -0.77 3.88 5.85 -1.15 -1.79 115.31 121.05 1wpb h LEU 110 Ca -0.07 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.77 1wpb h LEU 110 Cb 1.31 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.28 1wpb h LEU 110 CO 0.08 0.19 0.44 1.23 -0.34 0.00 0.00 178.44 180.05 1wpb h GLY 111 N 0.44 1.16 1.29 3.75 0.00 -1.26 -1.17 103.07 107.28 1wpb h GLY 111 Ca 0.26 -0.30 -0.13 0.00 0.00 0.00 0.00 47.33 47.15 1wpb h GLY 111 CO -0.22 0.17 -0.30 -1.82 0.00 0.00 0.00 176.54 174.36 1wpb h TYR 112 N 0.78 0.93 -0.40 5.60 3.20 -0.95 -0.38 116.97 125.75 1wpb h TYR 112 Ca 0.35 -0.24 0.03 0.00 3.14 0.00 0.00 58.73 62.01 1wpb h TYR 112 Cb 0.25 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 1wpb h TYR 112 CO -0.06 1.00 0.20 0.28 -1.64 0.00 0.00 178.16 177.93 1wpb h VAL 113 N 0.67 0.97 -0.61 1.81 2.07 -0.82 0.31 116.25 120.66 1wpb h VAL 113 Ca 0.08 -0.14 -0.09 0.00 0.82 0.00 0.00 66.70 67.37 1wpb h VAL 113 Cb 0.84 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1wpb h VAL 113 CO 0.07 0.07 0.04 0.03 0.02 0.00 0.00 177.57 177.80 1wpb h ARG 114 N 0.40 1.04 -0.39 1.57 3.08 -0.99 -1.30 114.38 117.79 1wpb h ARG 114 Ca 0.17 -0.30 0.02 0.00 0.07 0.00 0.00 59.98 59.94 1wpb h ARG 114 Cb 0.08 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 1wpb h ARG 114 CO -0.12 0.99 0.22 0.35 -1.07 0.00 0.00 179.97 180.34 1wpb h PHE 115 N 0.96 0.41 -0.49 3.04 3.57 -0.76 0.27 116.94 123.95 1wpb h PHE 115 Ca 0.18 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.62 1wpb h PHE 115 Cb 0.50 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 1wpb h PHE 115 CO 0.03 0.23 0.00 0.52 -2.23 0.00 0.00 178.31 176.87 1wpb h MET 116 N 0.45 0.81 0.00 1.11 2.86 -0.53 -0.02 114.93 119.61 1wpb h MET 116 Ca 0.16 -0.22 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1wpb h MET 116 Cb 0.03 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.59 1wpb h MET 116 CO -0.08 0.81 -0.14 0.28 1.06 0.00 0.00 176.91 178.84 1wpb h VAL 117 N 0.76 0.84 0.09 -2.22 2.07 -1.18 0.10 116.25 116.71 1wpb h VAL 117 Ca 0.15 -1.67 -0.26 0.00 0.82 0.00 0.00 66.70 65.74 1wpb h VAL 117 Cb 0.45 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 1wpb h VAL 117 CO 0.02 0.29 -1.19 0.78 0.02 0.00 0.00 177.57 177.48 1wpb h ASN 118 N -1.00 0.30 0.00 0.57 2.35 -0.51 -2.13 115.58 115.16 1wpb h ASN 118 Ca -0.03 -0.32 -0.14 0.00 -0.55 0.00 0.00 56.30 55.26 1wpb h ASN 118 Cb 0.57 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.82 1wpb h ASN 118 CO -0.02 1.25 -1.26 0.52 -1.65 0.00 0.00 177.43 176.27 1wpb n VAL 119 N -3.47 1.49 0.24 2.81 0.31 -0.14 -4.55 118.33 115.01 1wpb n VAL 119 Ca -0.07 0.02 0.13 0.00 -0.01 0.00 0.00 64.34 64.41 1wpb n VAL 119 Cb 1.00 -2.22 0.43 0.00 -0.91 0.00 0.00 33.84 32.15 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 -0.26 5.55 4.39 -1.21 -3.47 114.58 118.58 1wpb h GLU 120 Ca -0.20 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.44 1wpb h GLU 120 Cb 1.06 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 1wpb h GLU 120 CO -0.12 0.09 -0.06 0.41 -1.16 0.00 0.00 179.01 178.16 1wpb n GLY 121 N 0.47 0.45 3.87 -3.84 0.00 -0.68 -4.98 105.19 100.49 1wpb n GLY 121 Ca 0.02 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.85 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 -3.07 3.82 -1.29 1.61 3.52 0.26 -4.30 118.95 119.50 1wpb s ARG 122 Ca 0.00 0.38 -0.05 0.00 -0.13 0.00 0.00 55.73 55.93 1wpb s ARG 122 Cb 0.00 -2.53 0.03 0.00 -1.56 0.00 0.00 34.95 30.90 1wpb s ARG 122 CO 0.00 0.17 0.34 0.66 -0.81 0.00 0.00 175.30 175.66 1wpb n TYR 123 N -0.62 -1.68 0.27 5.12 4.01 -1.26 -3.97 117.16 119.04 1wpb n TYR 123 Ca 0.01 0.31 0.14 0.00 -0.16 0.00 0.00 57.90 58.21 1wpb n TYR 123 Cb 0.53 -3.27 0.69 0.00 -0.31 0.00 0.00 39.34 36.98 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 -0.72 0.00 -0.00 -0.72 1.35 -1.88 -2.14 112.91 108.80 1wpb h THR 124 Ca -0.41 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1wpb h THR 124 Cb 1.29 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 1wpb h THR 124 CO 0.48 0.00 -0.26 1.41 -0.25 0.00 0.00 175.52 176.91 1wpb n HIS 125 N -2.51 0.00 -1.95 4.73 8.25 -1.26 -4.88 115.22 117.60 1wpb n HIS 125 Ca -0.01 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.05 1wpb n HIS 125 Cb 0.13 -0.27 -0.00 0.00 1.12 0.00 0.00 29.99 30.96 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 -2.80 2.72 -0.28 4.41 0.40 -0.81 -4.94 117.98 116.68 1wpb s PHE 126 Ca 0.18 1.32 -0.29 0.00 -0.60 0.00 0.00 56.93 57.54 1wpb s PHE 126 Cb 0.19 -3.81 0.01 0.00 0.51 0.00 0.00 43.02 39.91 1wpb s PHE 126 CO 0.58 -2.45 1.18 0.34 0.70 0.00 0.00 175.22 175.57 1wpb s ASP 127 N -0.50 6.86 0.00 1.36 -1.08 -1.26 -4.90 116.67 117.15 1wpb s ASP 127 Ca 0.55 1.23 0.23 0.00 -0.52 0.00 0.00 52.55 54.04 1wpb s ASP 127 Cb -0.42 -2.54 1.03 0.00 -1.46 0.00 0.00 42.92 39.53 1wpb s ASP 127 CO 0.55 -0.91 1.75 0.00 0.52 0.00 0.00 175.17 177.07 1wpb n ALA 128 N 7.05 2.09 -0.45 3.66 0.00 -1.26 -4.87 120.51 126.73 1wpb n ALA 128 Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1wpb n ALA 128 Cb 0.46 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 0.85 -0.13 0.04 0.00 0.00 -1.26 -1.47 105.19 103.22 1wpb n GLY 129 Ca 0.07 -1.00 0.12 0.00 0.00 0.00 0.00 46.02 45.20 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 0.23 -2.59 2.61 -2.24 -1.26 -4.40 114.28 106.63 1wpb n THR 130 Ca 0.00 -0.22 -0.04 0.00 -2.27 0.00 0.00 64.05 61.52 1wpb n THR 130 Cb 0.00 0.08 0.05 0.00 -2.10 0.00 0.00 70.33 68.35 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 -1.96 1.30 -3.49 4.78 8.25 -1.26 -5.02 115.22 117.82 1wpb n HIS 131 Ca 0.03 -1.89 -0.19 0.00 -0.26 0.00 0.00 57.72 55.40 1wpb n HIS 131 Cb 0.42 -0.24 0.09 0.00 1.12 0.00 0.00 29.99 31.38 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 -0.48 -0.42 2.18 -1.41 0.00 -1.14 -1.49 105.19 102.43 1wpb n GLY 132 Ca 0.14 0.15 -0.02 0.00 0.00 0.00 0.00 46.02 46.29 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 -4.42 0.00 -2.63 1.61 3.72 -0.54 -4.90 117.46 110.29 1wpb n PHE 133 Ca -0.19 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.79 1wpb n PHE 133 Cb 0.63 -0.77 -0.03 0.00 -0.94 0.00 0.00 39.48 38.37 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 -2.44 6.16 0.58 4.37 2.47 -0.56 -1.61 114.94 123.92 1wpb s ASN 134 Ca 0.00 -0.60 0.34 0.00 0.42 0.00 0.00 52.86 53.02 1wpb s ASN 134 Cb 0.00 -2.52 1.81 0.00 -1.45 0.00 0.00 41.25 39.09 1wpb s ASN 134 CO 0.00 -1.73 2.19 0.00 -3.72 0.00 0.00 177.10 173.84 1wpb h ALA 135 N 9.90 1.20 0.00 1.71 0.00 -0.10 -3.44 119.26 128.54 1wpb h ALA 135 Ca -0.28 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1wpb h ALA 135 Cb 1.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1wpb h ALA 135 CO 1.25 0.06 0.00 1.04 0.00 0.00 0.00 179.25 181.60 1wpb n GLN 136 N -3.43 -1.15 -3.69 0.00 6.02 -1.25 -4.93 117.38 108.94 1wpb n GLN 136 Ca -0.02 0.29 -0.14 0.00 -0.01 0.00 0.00 57.00 57.12 1wpb n GLN 136 Cb 0.17 -4.24 -0.08 0.00 1.02 0.00 0.00 30.24 27.10 1wpb n GLN 136 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1wpb s THR 137 N -1.43 0.01 0.26 5.09 -1.32 -1.26 -4.96 115.64 112.04 1wpb s THR 137 Ca 0.00 -0.12 -0.30 0.00 -1.21 0.00 0.00 61.69 60.06 1wpb s THR 137 Cb 0.00 -0.73 -0.10 0.00 -1.51 0.00 0.00 72.50 70.16 1wpb s THR 137 CO 0.00 -0.07 1.35 -2.84 -2.21 0.00 0.00 174.62 170.85 1wpb s PRO 138 N -0.40 4.34 0.00 7.08 0.02 -1.26 -3.76 135.00 141.02 1wpb s PRO 138 Ca -0.05 2.19 0.00 0.00 0.02 0.00 0.00 61.00 63.16 1wpb s PRO 138 Cb -0.03 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.37 1wpb s PRO 138 CO 0.03 -0.28 0.07 -1.33 -0.33 0.00 0.00 177.00 175.17 1wpb n MET 139 N 1.85 3.24 0.07 5.54 2.81 -1.26 -4.86 117.12 124.51 1wpb n MET 139 Ca 0.04 -0.07 -0.12 0.00 -1.81 0.00 0.00 57.70 55.74 1wpb n MET 139 Cb 0.42 -0.43 -0.05 0.00 -0.71 0.00 0.00 33.22 32.45 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 -0.36 -0.92 2.03 2.91 -1.91 -1.09 115.95 116.62 1wpb h TRP 140 Ca 0.00 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.02 1wpb h TRP 140 Cb 0.04 0.15 -0.04 0.00 -0.51 0.00 0.00 29.16 28.80 1wpb h TRP 140 CO 0.00 -0.21 0.53 0.93 -1.03 0.00 0.00 178.44 178.66 1wpb h GLU 141 N -0.25 1.26 -0.15 2.65 5.08 -2.00 -1.47 114.58 119.70 1wpb h GLU 141 Ca 0.03 -0.13 0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1wpb h GLU 141 Cb 0.29 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1wpb h GLU 141 CO -0.10 0.90 -0.05 -0.22 -1.00 0.00 0.00 179.01 178.54 1wpb h LYS 142 N 1.27 -0.01 -0.21 2.33 3.64 -1.82 -2.43 116.57 119.34 1wpb h LYS 142 Ca 0.33 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.67 1wpb h LYS 142 Cb -0.01 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1wpb h LYS 142 CO -0.06 -0.01 -0.01 1.88 -2.27 0.00 0.00 179.45 178.98 1wpb h TYR 143 N -0.02 0.32 -0.77 1.91 0.05 -0.71 -1.43 116.97 116.32 1wpb h TYR 143 Ca 0.08 -0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.78 1wpb h TYR 143 Cb 0.13 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 37.74 1wpb h TYR 143 CO -0.19 0.34 0.27 1.96 -1.05 0.00 0.00 178.16 179.49 1wpb h GLN 144 N 0.31 1.18 -0.53 4.88 1.08 -0.95 0.04 115.11 121.13 1wpb h GLN 144 Ca 0.07 -0.24 -0.06 0.00 -1.45 0.00 0.00 58.65 56.98 1wpb h GLN 144 Cb 0.23 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.46 1wpb h GLN 144 CO 0.01 0.98 0.11 0.00 -0.95 0.00 0.00 178.83 178.98 1wpb h ARG 145 N 1.14 0.86 -0.11 1.46 3.08 -0.83 -2.47 114.38 117.51 1wpb h ARG 145 Ca 0.25 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1wpb h ARG 145 Cb 0.27 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 1wpb h ARG 145 CO -0.01 0.83 0.06 0.52 -1.07 0.00 0.00 179.97 180.29 1wpb h MET 146 N 0.74 0.15 -0.73 0.04 2.86 -0.99 -2.84 114.93 114.15 1wpb h MET 146 Ca 0.16 -0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.86 1wpb h MET 146 Cb 0.37 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.95 1wpb h MET 146 CO 0.01 0.18 0.48 -0.07 1.06 0.00 0.00 176.91 178.57 1wpb h LEU 147 N 0.08 0.65 -0.41 1.22 3.38 -0.89 0.64 115.31 119.98 1wpb h LEU 147 Ca 0.04 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1wpb h LEU 147 Cb 0.07 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1wpb h LEU 147 CO -0.01 0.42 0.22 -1.13 0.09 0.00 0.00 178.44 178.03 1wpb h ASN 148 N 0.74 0.50 -0.17 -0.43 -0.73 -1.21 -0.41 115.58 113.87 1wpb h ASN 148 Ca 0.32 -0.09 -0.09 0.00 1.87 0.00 0.00 56.30 58.32 1wpb h ASN 148 Cb 0.30 -0.13 -0.00 0.00 0.27 0.00 0.00 38.32 38.77 1wpb h ASN 148 CO -0.11 0.44 -0.25 0.58 -0.37 0.00 0.00 177.43 177.73 1wpb h VAL 149 N 0.52 1.34 -0.22 2.57 2.07 -1.18 -3.12 116.25 118.23 1wpb h VAL 149 Ca 0.14 -1.45 0.05 0.00 0.82 0.00 0.00 66.70 66.26 1wpb h VAL 149 Cb 0.05 1.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 1wpb h VAL 149 CO -0.02 0.44 -0.12 -0.25 0.02 0.00 0.00 177.57 177.64 1wpb h TRP 150 N 0.12 -0.28 0.00 1.57 7.01 -0.79 -1.83 115.95 121.75 1wpb h TRP 150 Ca 0.02 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.04 1wpb h TRP 150 Cb 0.81 0.16 0.00 0.00 -2.10 0.00 0.00 29.16 28.03 1wpb h TRP 150 CO 0.09 -0.18 0.00 0.72 -2.79 0.00 0.00 178.44 176.28 1wpb n HIS 151 N -5.28 0.64 0.55 2.65 8.25 -0.17 -1.94 115.22 119.92 1wpb n HIS 151 Ca -0.01 0.25 0.12 0.00 -0.26 0.00 0.00 57.72 57.82 1wpb n HIS 151 Cb 0.20 -0.91 0.22 0.00 1.12 0.00 0.00 29.99 30.61 1wpb n HIS 151 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1wpb h ALA 152 N 2.31 0.69 -2.49 -1.41 0.00 -1.27 -3.45 119.26 113.64 1wpb h ALA 152 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1wpb h ALA 152 Cb 0.34 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.14 1wpb h ALA 152 CO 0.00 0.00 0.78 0.00 0.00 0.00 0.00 179.25 180.03 1wpb h PRO 154 N 7.23 0.76 -5.65 0.00 0.11 -1.88 -3.36 132.00 129.21 1wpb h PRO 154 Ca -0.41 -0.05 -0.65 0.00 0.11 0.00 0.00 66.00 65.00 1wpb h PRO 154 Cb 1.20 -0.17 -0.16 0.00 0.11 0.00 0.00 31.00 31.97 1wpb h PRO 154 CO 0.88 0.50 -0.61 0.50 -0.21 0.00 0.00 178.00 179.06 1wpb s ARG 155 N -5.68 3.39 0.04 1.05 3.52 -1.26 -5.00 118.95 115.00 1wpb s ARG 155 Ca -0.10 -0.41 0.23 0.00 -0.13 0.00 0.00 55.73 55.33 1wpb s ARG 155 Cb 0.18 -2.93 0.06 0.00 -1.56 0.00 0.00 34.95 30.70 1wpb s ARG 155 CO 0.77 0.50 1.04 1.04 -0.81 0.00 0.00 175.30 177.84 1wpb n GLN 156 N 2.77 0.24 -4.37 5.12 6.02 -1.26 -4.89 117.38 121.00 1wpb n GLN 156 Ca -0.18 -0.01 -0.24 0.00 -0.01 0.00 0.00 57.00 56.56 1wpb n GLN 156 Cb 0.53 -1.57 -0.12 0.00 1.02 0.00 0.00 30.24 30.10 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 -3.16 2.04 -1.13 1.08 2.02 -1.26 -4.73 117.35 112.20 1wpb s TYR 157 Ca 0.05 -0.41 -0.04 0.00 -0.37 0.00 0.00 57.07 56.29 1wpb s TYR 157 Cb 0.15 -1.02 -0.03 0.00 -0.40 0.00 0.00 41.96 40.66 1wpb s TYR 157 CO 0.80 0.40 0.92 0.72 -1.57 0.00 0.00 175.55 176.82 1wpb n HIS 158 N 0.33 -2.28 -2.88 2.71 8.25 -1.26 -4.98 115.22 115.11 1wpb n HIS 158 Ca -0.13 0.86 -0.35 0.00 -0.26 0.00 0.00 57.72 57.84 1wpb n HIS 158 Cb 0.56 -4.47 -0.07 0.00 1.12 0.00 0.00 29.99 27.14 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 -5.93 4.15 0.88 2.41 1.43 -1.26 -5.04 118.68 115.32 1wpb s LEU 159 Ca 0.25 1.66 -0.12 0.00 -1.03 0.00 0.00 54.13 54.89 1wpb s LEU 159 Cb -0.04 -4.18 0.12 0.00 0.03 0.00 0.00 46.19 42.12 1wpb s LEU 159 CO 0.75 -0.19 1.12 -0.94 0.23 0.00 0.00 176.35 177.32 1wpb s SER 160 N -1.93 3.72 0.20 2.29 1.04 -1.26 -4.74 113.70 113.02 1wpb s SER 160 Ca 0.54 1.12 -0.02 0.00 0.48 0.00 0.00 55.95 58.07 1wpb s SER 160 Cb -0.13 -1.76 0.13 0.00 0.10 0.00 0.00 66.02 64.36 1wpb s SER 160 CO 0.18 -2.44 1.51 0.00 0.98 0.00 0.00 173.24 173.48 1wpb h ALA 161 N -1.41 0.71 -0.43 5.32 0.00 -1.95 0.19 119.26 121.70 1wpb h ALA 161 Ca -0.50 -0.52 0.06 0.00 0.00 0.00 0.00 54.91 53.95 1wpb h ALA 161 Cb 1.31 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 1wpb h ALA 161 CO 0.60 0.69 0.12 -0.91 0.00 0.00 0.00 179.25 179.76 1wpb h ASN 162 N 0.39 0.10 -0.28 0.00 4.21 -1.99 0.70 115.58 118.71 1wpb h ASN 162 Ca 0.00 0.06 -0.08 0.00 1.21 0.00 0.00 56.30 57.50 1wpb h ASN 162 Cb 1.10 0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 38.35 1wpb h ASN 162 CO 0.10 0.09 -0.13 -0.33 -1.29 0.00 0.00 177.43 175.87 1wpb h GLU 163 N 0.27 0.58 -0.53 0.81 5.08 -1.74 0.36 114.58 119.41 1wpb h GLU 163 Ca 0.20 -0.25 0.10 0.00 -1.00 0.00 0.00 59.36 58.41 1wpb h GLU 163 Cb 0.22 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.37 1wpb h GLU 163 CO -0.23 0.82 0.09 0.82 -1.00 0.00 0.00 179.01 179.50 1wpb h ILE 164 N 0.32 0.67 -0.50 3.13 2.04 -0.53 -1.74 117.51 120.89 1wpb h ILE 164 Ca 0.06 -0.07 -0.11 0.00 1.00 0.00 0.00 64.86 65.74 1wpb h ILE 164 Cb 0.64 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1wpb h ILE 164 CO 0.04 0.04 -0.12 0.78 0.00 0.00 0.00 178.15 178.89 1wpb h ASN 165 N 0.22 0.94 -0.76 1.72 2.35 -0.37 -1.38 115.58 118.29 1wpb h ASN 165 Ca 0.27 -0.30 0.03 0.00 -0.55 0.00 0.00 56.30 55.75 1wpb h ASN 165 Cb 0.39 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.46 1wpb h ASN 165 CO -0.37 1.06 0.48 1.56 -1.65 0.00 0.00 177.43 178.51 1wpb h GLN 166 N 0.84 0.91 0.34 0.81 4.20 -0.60 -2.14 115.11 119.46 1wpb h GLN 166 Ca 0.13 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 1wpb h GLN 166 Cb 0.66 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1wpb h GLN 166 CO 0.05 0.60 -0.16 0.82 -0.67 0.00 0.00 178.83 179.47 1wpb h ILE 167 N 0.94 0.57 0.00 2.54 2.04 -0.91 -2.71 117.51 119.98 1wpb h ILE 167 Ca 0.31 -0.66 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 1wpb h ILE 167 Cb 0.02 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1wpb h ILE 167 CO -0.11 0.11 -0.09 0.16 0.00 0.00 0.00 178.15 178.22 1wpb h ILE 168 N -0.88 0.99 -0.17 -0.67 3.07 -1.30 -1.80 117.51 116.76 1wpb h ILE 168 Ca -0.05 -0.30 0.00 0.00 1.55 0.00 0.00 64.86 66.06 1wpb h ILE 168 Cb 0.53 1.17 0.00 0.00 -0.27 0.00 0.00 36.82 38.25 1wpb h ILE 168 CO 0.08 0.08 0.00 0.59 -1.05 0.00 0.00 178.15 177.85 1wpb n ASN 169 N -4.33 1.63 0.00 2.16 3.02 -0.81 -5.06 115.26 111.87 1wpb n ASN 169 Ca -0.03 -1.71 0.12 0.00 -0.03 0.00 0.00 54.58 52.93 1wpb n ASN 169 Cb 0.17 -0.11 0.69 0.00 -0.61 0.00 0.00 39.78 39.91 1wpb n ASN 169 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64