#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xvi n PHE 2 N 0.00 1.56 -3.71 2.03 7.35 -1.26 -5.02 117.46 118.41 1xvi n PHE 2 Ca 0.00 0.62 -0.12 0.00 -0.76 0.00 0.00 57.45 57.19 1xvi n PHE 2 Cb 0.00 -2.30 -0.10 0.00 0.35 0.00 0.00 39.48 37.44 1xvi n PHE 2 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 1xvi s SER 3 N -0.52 -0.51 -0.36 -2.13 1.04 -1.26 -5.13 113.70 104.84 1xvi s SER 3 Ca 0.59 0.93 -0.23 0.00 0.48 0.00 0.00 55.95 57.71 1xvi s SER 3 Cb -0.63 0.89 0.01 0.00 0.10 0.00 0.00 66.02 66.39 1xvi s SER 3 CO 0.60 -0.17 0.79 -0.63 0.98 0.00 0.00 173.24 174.81 1xvi s ILE 4 N 0.70 4.73 0.55 -1.02 1.01 -1.26 -5.03 121.20 120.89 1xvi s ILE 4 Ca -0.04 0.94 -0.20 0.00 0.00 0.00 0.00 60.65 61.35 1xvi s ILE 4 Cb -0.05 -4.21 -0.05 0.00 0.01 0.00 0.00 42.46 38.17 1xvi s ILE 4 CO -0.05 -0.41 1.23 -1.10 0.00 0.00 0.00 174.94 174.61 1xvi s GLN 5 N 3.10 3.18 0.09 2.79 -0.21 -1.26 -4.94 119.66 122.41 1xvi s GLN 5 Ca 0.32 1.90 -0.34 0.00 0.02 0.00 0.00 55.36 57.26 1xvi s GLN 5 Cb -0.13 -2.10 -0.13 0.00 1.00 0.00 0.00 33.01 31.65 1xvi s GLN 5 CO 0.16 -1.06 1.69 0.94 -2.12 0.00 0.00 175.29 174.90 1xvi n GLN 6 N -1.23 2.22 -2.21 2.91 7.27 -1.26 -4.92 117.38 120.17 1xvi n GLN 6 Ca 0.12 0.81 -0.42 0.00 0.07 0.00 0.00 57.00 57.58 1xvi n GLN 6 Cb 0.48 -2.61 -0.03 0.00 2.41 0.00 0.00 30.24 30.49 1xvi n GLN 6 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 1xvi s PRO 7 N 1.93 4.37 -0.27 3.69 0.02 -1.26 -4.98 135.00 138.51 1xvi s PRO 7 Ca 0.83 2.06 0.02 0.00 0.02 0.00 0.00 61.00 63.92 1xvi s PRO 7 Cb -0.66 -3.21 0.07 0.00 0.02 0.00 0.00 34.50 30.72 1xvi s PRO 7 CO 0.41 -0.30 -0.04 -0.51 -0.33 0.00 0.00 177.00 176.23 1xvi s LEU 8 N 0.19 3.18 -0.11 -5.54 1.43 -1.26 -1.77 118.68 114.80 1xvi s LEU 8 Ca 0.59 -1.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.27 1xvi s LEU 8 Cb -0.36 -1.34 -0.01 0.00 0.03 0.00 0.00 46.19 44.50 1xvi s LEU 8 CO 0.36 -0.26 -0.18 -0.76 0.23 0.00 0.00 176.35 175.74 1xvi s LEU 9 N 1.24 2.42 -0.24 1.79 1.43 -0.46 -3.60 118.68 121.26 1xvi s LEU 9 Ca -0.03 -0.43 -0.09 0.00 -1.03 0.00 0.00 54.13 52.56 1xvi s LEU 9 Cb -0.19 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 1xvi s LEU 9 CO -0.07 0.18 0.11 -0.69 0.23 0.00 0.00 176.35 176.10 1xvi s VAL 10 N 0.25 4.80 -0.39 -1.59 1.01 -0.47 -0.70 120.40 123.31 1xvi s VAL 10 Ca -0.12 -0.01 -0.15 0.00 0.00 0.00 0.00 61.98 61.69 1xvi s VAL 10 Cb -0.16 -3.23 0.01 0.00 0.00 0.00 0.00 36.38 33.00 1xvi s VAL 10 CO 0.07 0.35 0.31 -0.36 0.00 0.00 0.00 175.10 175.47 1xvi s PHE 11 N 1.25 3.23 -0.36 5.22 0.40 0.21 0.21 117.98 128.14 1xvi s PHE 11 Ca 0.06 -0.46 -0.10 0.00 -0.60 0.00 0.00 56.93 55.82 1xvi s PHE 11 Cb -0.14 -2.61 0.02 0.00 0.51 0.00 0.00 43.02 40.80 1xvi s PHE 11 CO 0.05 -0.55 0.18 0.45 0.70 0.00 0.00 175.22 176.05 1xvi s SER 12 N 1.71 5.65 -0.73 1.36 0.15 0.07 -1.16 113.70 120.74 1xvi s SER 12 Ca 0.06 -0.89 0.04 0.00 0.70 0.00 0.00 55.95 55.87 1xvi s SER 12 Cb -0.18 -2.00 0.25 0.00 -1.71 0.00 0.00 66.02 62.37 1xvi s SER 12 CO 0.11 -0.33 0.86 -0.67 1.20 0.00 0.00 173.24 174.40 1xvi n ASP 13 N 4.98 4.20 -3.35 5.45 -0.08 -0.10 -0.76 116.55 126.88 1xvi n ASP 13 Ca -0.12 -3.41 -0.27 0.00 -1.51 0.00 0.00 54.79 49.48 1xvi n ASP 13 Cb 0.47 -0.80 -0.08 0.00 2.34 0.00 0.00 41.12 43.05 1xvi n ASP 13 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1xvi n LEU 14 N 1.08 3.38 -4.69 -2.67 4.77 -1.26 -3.90 117.00 113.71 1xvi n LEU 14 Ca 0.28 -5.37 -0.42 0.00 -0.03 0.00 0.00 56.01 50.47 1xvi n LEU 14 Cb 0.39 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 1xvi n LEU 14 CO 0.45 2.09 1.48 1.51 -1.33 0.00 0.00 177.39 181.59 1xvi s ASP 15 N -2.41 6.42 -0.51 -1.43 1.47 -1.26 -3.26 116.67 115.69 1xvi s ASP 15 Ca 0.40 2.76 0.00 0.00 1.18 0.00 0.00 52.55 56.89 1xvi s ASP 15 Cb 0.16 -2.57 0.00 0.00 -0.34 0.00 0.00 42.92 40.18 1xvi s ASP 15 CO -0.03 -1.01 0.00 0.61 0.68 0.00 0.00 175.17 175.42 1xvi n GLY 16 N 4.25 0.69 0.84 2.12 0.00 -1.26 -4.78 105.19 107.05 1xvi n GLY 16 Ca 0.18 -0.29 -0.05 0.00 0.00 0.00 0.00 46.02 45.86 1xvi n GLY 16 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xvi n THR 17 N -2.63 0.56 0.09 2.61 -1.04 -1.22 -4.86 114.28 107.79 1xvi n THR 17 Ca -0.05 0.04 -0.12 0.00 -2.04 0.00 0.00 64.05 61.88 1xvi n THR 17 Cb 0.27 -1.62 -0.07 0.00 -1.82 0.00 0.00 70.33 67.09 1xvi n THR 17 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1xvi h LEU 18 N -0.20 0.33 -9.99 -4.42 5.85 -1.85 -3.46 115.31 101.57 1xvi h LEU 18 Ca -0.10 -0.30 -0.51 0.00 0.84 0.00 0.00 57.88 57.81 1xvi h LEU 18 Cb 0.87 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 1xvi h LEU 18 CO -0.06 1.16 0.03 -0.76 -0.34 0.00 0.00 178.44 178.46 1xvi s LEU 19 N -7.30 4.12 -0.22 2.25 1.43 -1.26 -4.63 118.68 113.06 1xvi s LEU 19 Ca -0.03 1.17 -0.21 0.00 -1.03 0.00 0.00 54.13 54.02 1xvi s LEU 19 Cb 0.09 -3.91 -0.02 0.00 0.03 0.00 0.00 46.19 42.38 1xvi s LEU 19 CO 0.85 -0.14 0.66 -0.62 0.23 0.00 0.00 176.35 177.33 1xvi s ASP 20 N -2.26 6.67 -0.02 2.29 -1.08 -1.26 -4.79 116.67 116.22 1xvi s ASP 20 Ca 0.51 0.82 -0.20 0.00 -0.52 0.00 0.00 52.55 53.16 1xvi s ASP 20 Cb -0.11 -2.36 -0.12 0.00 -1.46 0.00 0.00 42.92 38.87 1xvi s ASP 20 CO 0.19 -0.34 0.88 0.77 0.52 0.00 0.00 175.17 177.19 1xvi h SER 21 N 7.65 -0.48 0.33 -0.34 4.64 -1.97 -3.24 113.55 120.14 1xvi h SER 21 Ca -0.29 -0.07 -0.11 0.00 -0.47 0.00 0.00 61.79 60.85 1xvi h SER 21 Cb 1.13 0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 1xvi h SER 21 CO 0.79 -0.06 -0.48 1.12 -0.87 0.00 0.00 176.83 177.33 1xvi h HIS 22 N -1.06 0.21 -4.25 4.77 2.07 -1.95 -3.46 115.15 111.48 1xvi h HIS 22 Ca -0.06 -0.06 -0.51 0.00 -2.85 0.00 0.00 60.37 56.89 1xvi h HIS 22 Cb 0.53 -0.04 0.15 0.00 2.57 0.00 0.00 27.41 30.61 1xvi h HIS 22 CO 0.02 0.62 0.28 0.45 -3.07 0.00 0.00 177.93 176.24 1xvi s SER 23 N -6.88 3.99 0.00 3.10 0.15 -1.22 -5.04 113.70 107.80 1xvi s SER 23 Ca -0.04 1.83 0.00 0.00 0.70 0.00 0.00 55.95 58.44 1xvi s SER 23 Cb 0.13 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 1xvi s SER 23 CO 0.77 -2.36 0.00 0.00 1.20 0.00 0.00 173.24 172.85 1xvi n TYR 24 N -3.73 0.00 1.12 3.44 4.19 -1.26 -4.82 117.16 116.10 1xvi n TYR 24 Ca 0.09 0.00 0.11 0.00 3.31 0.00 0.00 57.90 61.41 1xvi n TYR 24 Cb 0.53 0.00 0.57 0.00 0.49 0.00 0.00 39.34 40.93 1xvi n TYR 24 CO 0.00 0.00 0.00 -0.25 0.91 0.00 0.00 176.86 177.52 1xvi n ASP 25 N 0.00 0.00 -4.13 2.98 8.00 -1.26 -4.61 116.55 117.53 1xvi n ASP 25 Ca 0.00 -0.24 -0.37 0.00 0.71 0.00 0.00 54.79 54.89 1xvi n ASP 25 Cb 0.00 -0.19 -0.10 0.00 -0.02 0.00 0.00 41.12 40.81 1xvi n ASP 25 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1xvi s TRP 26 N -2.38 3.51 -0.21 1.24 0.52 -1.26 -4.82 118.94 115.53 1xvi s TRP 26 Ca 0.24 -2.41 -0.12 0.00 0.02 0.00 0.00 56.10 53.83 1xvi s TRP 26 Cb 0.14 -3.29 -0.05 0.00 -1.15 0.00 0.00 33.47 29.13 1xvi s TRP 26 CO 0.30 -0.93 0.24 -0.65 0.02 0.00 0.00 176.95 175.93 1xvi s GLN 27 N 0.74 4.14 0.57 4.98 -1.52 -1.26 -4.92 119.66 122.39 1xvi s GLN 27 Ca 0.11 -0.08 0.28 0.00 -1.95 0.00 0.00 55.36 53.72 1xvi s GLN 27 Cb -0.22 -3.50 1.50 0.00 -0.22 0.00 0.00 33.01 30.57 1xvi s GLN 27 CO -0.03 0.09 1.97 -1.35 -0.25 0.00 0.00 175.29 175.72 1xvi h PRO 28 N 7.23 0.00 0.00 2.91 0.11 -1.93 -2.07 132.00 138.25 1xvi h PRO 28 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1xvi h PRO 28 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1xvi h PRO 28 CO 0.70 0.00 -0.15 0.00 -0.21 0.00 0.00 178.00 178.34 1xvi h ALA 29 N 1.61 0.92 -0.28 -0.75 0.00 -1.94 -3.39 119.26 115.43 1xvi h ALA 29 Ca 0.20 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.17 1xvi h ALA 29 Cb 0.98 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 1xvi h ALA 29 CO -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 179.25 179.17 1xvi h ALA 30 N 2.07 0.18 -0.86 0.00 0.00 -1.56 0.43 119.26 119.53 1xvi h ALA 30 Ca 0.00 0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.13 1xvi h ALA 30 Cb 0.96 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 1xvi h ALA 30 CO 0.00 -0.47 0.56 -1.35 0.00 0.00 0.00 179.25 177.98 1xvi h PRO 31 N -0.01 0.74 0.10 0.00 0.11 -1.80 0.24 132.00 131.39 1xvi h PRO 31 Ca 0.14 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 1xvi h PRO 31 Cb 0.22 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.16 1xvi h PRO 31 CO -0.30 0.49 -0.05 -1.49 -0.21 0.00 0.00 178.00 176.44 1xvi h TRP 32 N 0.77 -0.13 0.00 0.65 4.06 -1.56 -3.03 115.95 116.71 1xvi h TRP 32 Ca 0.41 -0.00 -0.05 0.00 2.06 0.00 0.00 58.89 61.31 1xvi h TRP 32 Cb 0.53 0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 28.72 1xvi h TRP 32 CO -0.00 0.38 -0.22 -0.07 -3.56 0.00 0.00 178.44 174.97 1xvi h LEU 33 N -0.81 0.00 -0.23 -4.49 3.38 -0.79 -2.43 115.31 109.95 1xvi h LEU 33 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1xvi h LEU 33 Cb 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1xvi h LEU 33 CO 0.02 0.22 0.15 0.74 0.09 0.00 0.00 178.44 179.66 1xvi h THR 34 N 0.00 1.06 -0.46 0.22 2.02 -0.99 -1.63 112.91 113.13 1xvi h THR 34 Ca -0.00 -0.11 -0.09 0.00 0.77 0.00 0.00 66.41 66.98 1xvi h THR 34 Cb 0.39 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 1xvi h THR 34 CO 0.03 0.06 -0.06 0.03 0.37 0.00 0.00 175.52 175.95 1xvi h ARG 35 N 0.30 0.80 -0.57 6.66 3.08 -1.33 -2.34 114.38 120.99 1xvi h ARG 35 Ca 0.08 -0.24 0.01 0.00 0.07 0.00 0.00 59.98 59.90 1xvi h ARG 35 Cb -0.03 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 1xvi h ARG 35 CO -0.02 0.84 0.38 -0.07 -1.07 0.00 0.00 179.97 180.03 1xvi h LEU 36 N 0.73 0.65 -0.74 3.04 4.07 -1.34 -1.54 115.31 120.18 1xvi h LEU 36 Ca 0.13 -0.02 0.04 0.00 0.08 0.00 0.00 57.88 58.12 1xvi h LEU 36 Cb 0.53 -0.16 -0.05 0.00 1.08 0.00 0.00 40.66 42.06 1xvi h LEU 36 CO 0.03 0.47 0.46 -0.09 -1.08 0.00 0.00 178.44 178.23 1xvi h ARG 37 N 0.77 0.86 0.00 1.13 2.43 -1.11 -0.82 114.38 117.64 1xvi h ARG 37 Ca 0.21 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.24 1xvi h ARG 37 Cb -0.08 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.26 1xvi h ARG 37 CO -0.05 0.57 -0.43 0.93 -1.51 0.00 0.00 179.97 179.48 1xvi h GLU 38 N 0.88 0.00 -0.02 0.20 5.08 -1.06 -1.67 114.58 117.99 1xvi h GLU 38 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1xvi h GLU 38 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1xvi h GLU 38 CO -0.13 0.43 0.00 0.00 -1.00 0.00 0.00 179.01 178.31 1xvi n ALA 39 N -2.44 2.62 -3.09 3.43 0.00 -0.61 -4.95 120.51 115.47 1xvi n ALA 39 Ca -0.02 -0.23 -0.14 0.00 0.00 0.00 0.00 53.44 53.06 1xvi n ALA 39 Cb 0.46 -1.33 0.06 0.00 0.00 0.00 0.00 19.45 18.64 1xvi n ALA 39 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1xvi n ASN 40 N -0.62 -3.53 -4.00 0.00 4.05 -0.63 -5.00 115.26 105.53 1xvi n ASN 40 Ca 0.18 -0.38 -0.32 0.00 0.45 0.00 0.00 54.58 54.51 1xvi n ASN 40 Cb 0.14 -3.51 -0.10 0.00 1.23 0.00 0.00 39.78 37.55 1xvi n ASN 40 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1xvi s VAL 41 N -3.22 3.41 0.20 3.44 1.01 -0.37 -4.58 120.40 120.29 1xvi s VAL 41 Ca 0.20 -3.84 -0.31 0.00 0.00 0.00 0.00 61.98 58.04 1xvi s VAL 41 Cb -0.09 -3.20 -0.10 0.00 0.00 0.00 0.00 36.38 32.99 1xvi s VAL 41 CO 0.48 -0.98 1.49 -2.84 0.00 0.00 0.00 175.10 173.25 1xvi s PRO 42 N -1.06 4.25 -0.30 2.72 0.02 -1.24 -4.13 135.00 135.26 1xvi s PRO 42 Ca 0.23 2.31 -0.08 0.00 0.02 0.00 0.00 61.00 63.48 1xvi s PRO 42 Cb -0.11 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.28 1xvi s PRO 42 CO -0.11 -0.50 0.12 0.08 -0.33 0.00 0.00 177.00 176.26 1xvi s VAL 43 N 0.55 4.29 -0.46 3.83 1.01 -1.26 -1.36 120.40 127.00 1xvi s VAL 43 Ca 0.64 -0.55 -0.15 0.00 0.00 0.00 0.00 61.98 61.93 1xvi s VAL 43 Cb -0.42 -3.20 0.07 0.00 0.00 0.00 0.00 36.38 32.83 1xvi s VAL 43 CO 0.37 0.08 0.37 -0.63 0.00 0.00 0.00 175.10 175.29 1xvi s ILE 44 N 1.56 5.10 0.17 2.22 1.01 0.13 -4.91 121.20 126.49 1xvi s ILE 44 Ca 0.04 -1.06 -0.31 0.00 0.00 0.00 0.00 60.65 59.32 1xvi s ILE 44 Cb -0.17 -4.03 -0.09 0.00 0.01 0.00 0.00 42.46 38.18 1xvi s ILE 44 CO 0.04 -0.54 1.42 -0.76 0.00 0.00 0.00 174.94 175.10 1xvi s LEU 45 N 1.62 4.38 -0.05 2.97 1.43 -1.26 -0.75 118.68 127.03 1xvi s LEU 45 Ca 0.04 2.47 0.03 0.00 -1.03 0.00 0.00 54.13 55.64 1xvi s LEU 45 Cb -0.24 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.39 1xvi s LEU 45 CO 0.06 -0.67 -0.13 0.00 0.23 0.00 0.00 176.35 175.84 1xvi s SER 47 N 0.29 -0.43 0.01 0.00 0.15 -0.51 -4.19 113.70 109.02 1xvi s SER 47 Ca -0.07 -0.18 0.28 0.00 0.70 0.00 0.00 55.95 56.68 1xvi s SER 47 Cb -0.12 0.58 1.04 0.00 -1.71 0.00 0.00 66.02 65.81 1xvi s SER 47 CO 0.02 -0.99 1.79 -1.54 1.20 0.00 0.00 173.24 173.72 1xvi n SER 48 N -0.38 0.16 -4.73 5.45 3.41 -1.26 -1.50 113.62 114.77 1xvi n SER 48 Ca -0.12 0.32 -0.30 0.00 -0.26 0.00 0.00 58.87 58.51 1xvi n SER 48 Cb 0.63 -0.33 0.12 0.00 -0.26 0.00 0.00 64.21 64.37 1xvi n SER 48 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1xvi s LYS 49 N -3.01 1.63 0.68 4.33 1.02 -1.26 -3.85 119.74 119.28 1xvi s LYS 49 Ca 0.13 1.04 -0.14 0.00 0.02 0.00 0.00 55.97 57.03 1xvi s LYS 49 Cb 0.18 -1.83 0.01 0.00 -0.52 0.00 0.00 37.83 35.67 1xvi s LYS 49 CO 0.58 -2.05 1.09 0.95 -0.92 0.00 0.00 175.35 175.00 1xvi s THR 50 N -2.88 3.41 0.24 2.17 -4.23 -1.26 -0.10 115.64 112.99 1xvi s THR 50 Ca 0.63 0.59 -0.04 0.00 -1.18 0.00 0.00 61.69 61.68 1xvi s THR 50 Cb -0.18 -3.12 0.22 0.00 1.34 0.00 0.00 72.50 70.76 1xvi s THR 50 CO 0.57 -0.47 1.73 -1.28 -0.54 0.00 0.00 174.62 174.62 1xvi h SER 51 N -0.27 0.26 -0.31 3.99 0.87 -1.91 -0.46 113.55 115.72 1xvi h SER 51 Ca -0.46 0.11 -0.06 0.00 -1.23 0.00 0.00 61.79 60.15 1xvi h SER 51 Cb 1.24 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 63.28 1xvi h SER 51 CO 0.54 0.09 -0.05 0.00 -0.53 0.00 0.00 176.83 176.88 1xvi h ALA 52 N 1.55 0.42 -0.10 6.23 0.00 -1.83 0.03 119.26 125.56 1xvi h ALA 52 Ca 0.41 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1xvi h ALA 52 Cb 0.63 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1xvi h ALA 52 CO -0.41 0.23 0.03 1.49 0.00 0.00 0.00 179.25 180.59 1xvi h GLU 53 N 0.36 0.16 -0.97 0.00 4.57 -1.65 -2.53 114.58 114.53 1xvi h GLU 53 Ca 0.08 -0.04 0.10 0.00 -1.18 0.00 0.00 59.36 58.33 1xvi h GLU 53 Cb 0.53 -0.02 -0.08 0.00 -0.16 0.00 0.00 28.75 29.02 1xvi h GLU 53 CO 0.03 0.32 0.60 0.52 -1.18 0.00 0.00 179.01 179.30 1xvi h MET 54 N -0.02 0.97 -0.28 1.92 2.86 -0.93 -0.34 114.93 119.11 1xvi h MET 54 Ca 0.03 -0.06 -0.14 0.00 -2.06 0.00 0.00 59.70 57.48 1xvi h MET 54 Cb 0.22 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1xvi h MET 54 CO -0.00 0.64 -0.39 -0.07 1.06 0.00 0.00 176.91 178.16 1xvi h LEU 55 N 1.00 0.70 -0.04 1.22 3.38 -0.91 0.29 115.31 120.96 1xvi h LEU 55 Ca 0.46 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1xvi h LEU 55 Cb 0.38 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1xvi h LEU 55 CO -0.24 1.01 -0.03 0.22 0.09 0.00 0.00 178.44 179.49 1xvi h TYR 56 N 0.54 0.11 -0.77 1.13 3.20 -1.06 -2.18 116.97 117.94 1xvi h TYR 56 Ca 0.05 -0.03 0.09 0.00 3.14 0.00 0.00 58.73 61.98 1xvi h TYR 56 Cb 0.91 -0.02 -0.07 0.00 1.54 0.00 0.00 36.73 39.08 1xvi h TYR 56 CO 0.04 0.52 0.42 -0.07 -1.64 0.00 0.00 178.16 177.43 1xvi h LEU 57 N -0.34 0.58 -0.43 2.82 3.38 -0.97 -1.84 115.31 118.51 1xvi h LEU 57 Ca 0.01 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.08 1xvi h LEU 57 Cb 0.50 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 1xvi h LEU 57 CO 0.01 0.33 0.17 -0.61 0.09 0.00 0.00 178.44 178.43 1xvi h GLN 58 N 0.71 0.34 -0.84 1.13 4.15 -0.39 -1.89 115.11 118.32 1xvi h GLN 58 Ca 0.37 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.78 1xvi h GLN 58 Cb 0.36 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.93 1xvi h GLN 58 CO -0.25 0.23 0.55 -0.22 -1.93 0.00 0.00 178.83 177.20 1xvi h LYS 59 N 0.35 1.12 0.00 1.69 3.64 -0.89 -0.34 116.57 122.14 1xvi h LYS 59 Ca 0.19 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1xvi h LYS 59 Cb 0.16 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1xvi h LYS 59 CO -0.18 0.75 0.00 0.25 -2.27 0.00 0.00 179.45 178.00 1xvi n THR 60 N -4.48 0.62 1.13 1.00 -2.24 -0.74 -2.42 114.28 107.15 1xvi n THR 60 Ca 0.09 -0.08 0.12 0.00 -2.27 0.00 0.00 64.05 61.91 1xvi n THR 60 Cb 0.02 -0.77 0.19 0.00 -2.10 0.00 0.00 70.33 67.68 1xvi n THR 60 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1xvi n LEU 61 N -2.14 1.84 -0.17 3.22 4.77 -0.75 -4.23 117.00 119.54 1xvi n LEU 61 Ca 0.05 -0.62 -0.01 0.00 -0.03 0.00 0.00 56.01 55.39 1xvi n LEU 61 Cb 0.35 -0.04 -0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1xvi n LEU 61 CO 0.26 0.33 -0.02 0.61 -1.33 0.00 0.00 177.39 177.24 1xvi n GLY 62 N 1.36 0.32 0.20 -0.72 0.00 -0.92 -4.22 105.19 101.21 1xvi n GLY 62 Ca 0.12 -0.84 0.04 0.00 0.00 0.00 0.00 46.02 45.34 1xvi n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xvi n LEU 63 N -0.21 2.40 -4.77 0.99 4.77 -0.18 -4.46 117.00 115.54 1xvi n LEU 63 Ca -0.02 -2.32 -0.41 0.00 -0.03 0.00 0.00 56.01 53.23 1xvi n LEU 63 Cb 0.48 -0.18 -0.01 0.00 -2.33 0.00 0.00 43.42 41.38 1xvi n LEU 63 CO 0.02 0.60 1.16 -1.58 -1.33 0.00 0.00 177.39 176.26 1xvi s GLN 64 N -1.56 4.14 0.00 3.23 0.74 -1.23 -2.20 119.66 122.78 1xvi s GLN 64 Ca 0.15 2.53 0.00 0.00 0.05 0.00 0.00 55.36 58.08 1xvi s GLN 64 Cb 0.11 -3.00 0.00 0.00 1.10 0.00 0.00 33.01 31.22 1xvi s GLN 64 CO 0.04 -0.53 0.00 0.41 -0.55 0.00 0.00 175.29 174.66 1xvi n GLY 65 N 1.15 1.12 3.92 2.59 0.00 -1.26 -5.01 105.19 107.70 1xvi n GLY 65 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 1xvi n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xvi s LEU 66 N 0.00 3.84 0.87 0.99 1.43 -0.94 -0.62 118.68 124.25 1xvi s LEU 66 Ca 0.00 0.71 -0.10 0.00 -1.03 0.00 0.00 54.13 53.70 1xvi s LEU 66 Cb 0.00 -3.61 0.12 0.00 0.03 0.00 0.00 46.19 42.73 1xvi s LEU 66 CO 0.00 -0.42 1.13 -2.84 0.23 0.00 0.00 176.35 174.45 1xvi s PRO 67 N -4.44 1.39 0.12 1.29 0.02 -1.26 -4.50 135.00 127.62 1xvi s PRO 67 Ca 0.44 1.42 -0.17 0.00 0.02 0.00 0.00 61.00 62.71 1xvi s PRO 67 Cb -0.10 -1.78 0.04 0.00 0.02 0.00 0.00 34.50 32.68 1xvi s PRO 67 CO 0.39 -2.33 0.43 -0.48 -0.33 0.00 0.00 177.00 174.68 1xvi s LEU 68 N -6.40 0.28 -0.21 -5.54 0.05 -0.79 -4.19 118.68 101.88 1xvi s LEU 68 Ca 0.65 -0.26 -0.02 0.00 0.05 0.00 0.00 54.13 54.55 1xvi s LEU 68 Cb -0.21 1.93 0.01 0.00 -2.05 0.00 0.00 46.19 45.87 1xvi s LEU 68 CO 0.57 -0.86 -0.10 -0.63 -0.55 0.00 0.00 176.35 174.79 1xvi s ILE 69 N -3.72 2.87 0.35 1.48 1.01 0.14 -1.01 121.20 122.33 1xvi s ILE 69 Ca 0.02 -0.72 0.08 0.00 0.00 0.00 0.00 60.65 60.03 1xvi s ILE 69 Cb 0.01 -2.31 -0.07 0.00 0.01 0.00 0.00 42.46 40.11 1xvi s ILE 69 CO -0.12 0.42 -0.06 0.00 0.00 0.00 0.00 174.94 175.19 1xvi s ALA 70 N 1.39 2.91 -1.59 9.38 0.00 -0.04 -1.43 121.76 132.40 1xvi s ALA 70 Ca 0.05 -2.13 -0.11 0.00 0.00 0.00 0.00 51.96 49.77 1xvi s ALA 70 Cb -0.14 0.07 0.09 0.00 0.00 0.00 0.00 23.12 23.14 1xvi s ALA 70 CO -0.07 -0.01 0.65 0.39 0.00 0.00 0.00 175.76 176.73 1xvi n GLU 71 N -0.81 -3.30 -2.21 0.00 1.02 0.86 -1.15 120.64 115.05 1xvi n GLU 71 Ca -0.05 0.39 -0.17 0.00 -0.02 0.00 0.00 57.16 57.31 1xvi n GLU 71 Cb 0.65 -4.88 -0.02 0.00 -0.02 0.00 0.00 31.44 27.16 1xvi n GLU 71 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1xvi n ASN 72 N -2.79 -5.10 0.00 1.62 5.03 -0.56 -1.67 115.26 111.79 1xvi n ASN 72 Ca -0.07 0.05 0.00 0.00 0.87 0.00 0.00 54.58 55.43 1xvi n ASN 72 Cb 0.57 -4.18 0.00 0.00 -1.02 0.00 0.00 39.78 35.15 1xvi n ASN 72 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xvi n GLY 73 N -0.99 0.67 0.23 7.41 0.00 -0.30 -2.52 105.19 109.69 1xvi n GLY 73 Ca -0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.94 1xvi n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xvi h ALA 74 N 0.00 0.98 -3.39 4.61 0.00 -1.20 -3.38 119.26 116.87 1xvi h ALA 74 Ca 0.00 -0.12 -0.50 0.00 0.00 0.00 0.00 54.91 54.29 1xvi h ALA 74 Cb 0.00 -0.02 -0.34 0.00 0.00 0.00 0.00 17.79 17.43 1xvi h ALA 74 CO 0.00 0.16 -0.81 0.08 0.00 0.00 0.00 179.25 178.68 1xvi s VAL 75 N -3.49 1.03 -0.22 0.00 1.01 -1.03 -0.77 120.40 116.92 1xvi s VAL 75 Ca 0.02 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.62 1xvi s VAL 75 Cb 0.08 -0.96 0.05 0.00 0.00 0.00 0.00 36.38 35.55 1xvi s VAL 75 CO 0.62 0.34 -0.13 -0.63 0.00 0.00 0.00 175.10 175.30 1xvi s ILE 76 N 0.84 1.95 -0.09 2.22 1.01 0.50 -0.86 121.20 126.78 1xvi s ILE 76 Ca -0.12 -1.26 -0.30 0.00 0.00 0.00 0.00 60.65 58.98 1xvi s ILE 76 Cb -0.15 -1.99 -0.02 0.00 0.01 0.00 0.00 42.46 40.31 1xvi s ILE 76 CO 0.02 0.16 1.03 -1.58 0.00 0.00 0.00 174.94 174.57 1xvi s GLN 77 N 1.25 4.43 0.36 2.79 2.00 -0.18 -0.15 119.66 130.16 1xvi s GLN 77 Ca -0.03 1.43 -0.19 0.00 -2.00 0.00 0.00 55.36 54.58 1xvi s GLN 77 Cb -0.17 -3.53 -0.10 0.00 0.80 0.00 0.00 33.01 30.01 1xvi s GLN 77 CO -0.08 -0.30 0.84 -0.51 -0.50 0.00 0.00 175.29 174.74 1xvi s LEU 78 N 1.92 4.06 0.29 3.68 1.02 0.15 -1.88 118.68 127.91 1xvi s LEU 78 Ca 0.50 1.50 -0.28 0.00 0.02 0.00 0.00 54.13 55.87 1xvi s LEU 78 Cb -0.19 -4.23 -0.14 0.00 0.02 0.00 0.00 46.19 41.65 1xvi s LEU 78 CO 0.20 -0.24 1.05 0.00 0.02 0.00 0.00 176.35 177.38 1xvi n ALA 79 N -0.32 -0.06 -0.38 4.21 0.00 -1.26 -4.45 120.51 118.24 1xvi n ALA 79 Ca 0.04 0.39 0.30 0.00 0.00 0.00 0.00 53.44 54.17 1xvi n ALA 79 Cb 0.53 -2.05 0.57 0.00 0.00 0.00 0.00 19.45 18.51 1xvi n ALA 79 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1xvi h GLU 80 N 2.16 0.22 -0.64 0.00 5.08 -1.16 -1.27 114.58 118.96 1xvi h GLU 80 Ca -0.40 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1xvi h GLU 80 Cb 1.33 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1xvi h GLU 80 CO 0.62 0.15 0.00 1.04 -1.00 0.00 0.00 179.01 179.81 1xvi n GLN 81 N -4.71 3.28 -0.92 2.33 6.02 -1.26 -4.23 117.38 117.89 1xvi n GLN 81 Ca 0.32 -2.17 -0.09 0.00 -0.01 0.00 0.00 57.00 55.05 1xvi n GLN 81 Cb 1.16 -1.83 0.23 0.00 1.02 0.00 0.00 30.24 30.82 1xvi n GLN 81 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1xvi n TRP 82 N 0.68 2.24 -0.53 1.08 8.01 -0.48 -4.73 117.44 123.71 1xvi n TRP 82 Ca 0.19 -1.21 0.43 0.00 -1.31 0.00 0.00 57.50 55.60 1xvi n TRP 82 Cb 0.77 -0.68 0.72 0.00 -2.01 0.00 0.00 31.31 30.11 1xvi n TRP 82 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.69 178.64 1xvi h GLN 83 N 1.87 0.03 -0.00 -0.99 7.50 -1.80 0.17 115.11 121.88 1xvi h GLN 83 Ca 0.32 -0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.46 1xvi h GLN 83 Cb 2.24 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 29.76 1xvi h GLN 83 CO 0.72 0.02 -0.20 -0.85 -1.50 0.00 0.00 178.83 177.02 1xvi n GLU 84 N -4.47 0.59 -2.83 1.46 0.00 -1.26 -4.84 120.64 109.30 1xvi n GLU 84 Ca 0.40 -0.27 -0.41 0.00 0.00 0.00 0.00 57.16 56.88 1xvi n GLU 84 Cb 1.65 -1.49 -0.04 0.00 0.00 0.00 0.00 31.44 31.56 1xvi n GLU 84 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1xvi s ILE 85 N -2.59 4.91 0.01 3.84 -1.09 0.60 -4.98 121.20 121.90 1xvi s ILE 85 Ca 0.24 1.83 -0.33 0.00 -2.23 0.00 0.00 60.65 60.16 1xvi s ILE 85 Cb 0.19 -4.22 -0.12 0.00 -1.58 0.00 0.00 42.46 36.74 1xvi s ILE 85 CO 0.52 0.15 1.83 0.47 -1.23 0.00 0.00 174.94 176.68 1xvi n ASP 86 N 4.19 3.56 0.00 3.58 8.00 -1.26 -1.69 116.55 132.93 1xvi n ASP 86 Ca 0.04 0.99 0.00 0.00 0.71 0.00 0.00 54.79 56.53 1xvi n ASP 86 Cb 0.50 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 1xvi n ASP 86 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xvi n GLY 87 N 4.19 2.24 3.48 0.44 0.00 -1.26 -5.05 105.19 109.23 1xvi n GLY 87 Ca 0.20 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.78 1xvi n GLY 87 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1xvi n PHE 88 N -0.46 0.05 0.82 1.61 -0.00 -0.68 -1.77 117.46 117.03 1xvi n PHE 88 Ca 0.00 0.72 0.12 0.00 -0.00 0.00 0.00 57.45 58.29 1xvi n PHE 88 Cb 0.00 -2.06 0.52 0.00 -0.00 0.00 0.00 39.48 37.94 1xvi n PHE 88 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1xvi n PRO 89 N 0.74 0.05 -3.69 -7.13 -0.04 -1.26 -5.01 135.00 118.66 1xvi n PRO 89 Ca 0.12 0.10 -0.10 0.00 -0.04 0.00 0.00 63.50 63.58 1xvi n PRO 89 Cb 0.34 -1.56 -0.10 0.00 -0.04 0.00 0.00 33.50 32.14 1xvi n PRO 89 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1xvi s ARG 90 N -3.03 0.47 -0.32 0.54 3.52 -0.73 -0.67 118.95 118.73 1xvi s ARG 90 Ca 0.12 0.85 -0.08 0.00 -0.13 0.00 0.00 55.73 56.48 1xvi s ARG 90 Cb 0.16 0.05 0.01 0.00 -1.56 0.00 0.00 34.95 33.61 1xvi s ARG 90 CO 0.48 -0.14 0.12 0.42 -0.81 0.00 0.00 175.30 175.37 1xvi s ILE 91 N 1.27 4.16 -0.09 4.11 1.01 0.78 -4.92 121.20 127.53 1xvi s ILE 91 Ca -0.08 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 59.84 1xvi s ILE 91 Cb -0.07 -3.20 -0.03 0.00 0.01 0.00 0.00 42.46 39.17 1xvi s ILE 91 CO -0.12 -0.01 -0.09 -0.63 0.00 0.00 0.00 174.94 174.08 1xvi s ILE 92 N 1.52 3.45 0.38 2.92 1.01 -1.26 -0.37 121.20 128.84 1xvi s ILE 92 Ca 0.02 -0.56 -0.26 0.00 0.00 0.00 0.00 60.65 59.86 1xvi s ILE 92 Cb -0.18 -2.42 -0.12 0.00 0.01 0.00 0.00 42.46 39.76 1xvi s ILE 92 CO 0.04 0.57 1.04 -0.24 0.00 0.00 0.00 174.94 176.35 1xvi n SER 93 N 2.66 1.42 0.33 3.58 2.88 0.05 -4.88 113.62 119.65 1xvi n SER 93 Ca -0.18 1.09 0.21 0.00 -1.33 0.00 0.00 58.87 58.66 1xvi n SER 93 Cb 0.53 -1.35 1.12 0.00 -0.75 0.00 0.00 64.21 63.76 1xvi n SER 93 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1xvi h GLY 94 N 1.76 0.00 -7.28 0.46 0.00 -1.98 -3.36 103.07 92.67 1xvi h GLY 94 Ca -0.43 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.20 1xvi h GLY 94 CO 0.58 0.00 -0.09 -1.50 0.00 0.00 0.00 176.54 175.53 1xvi s ILE 95 N -4.24 5.00 0.87 2.60 -1.16 -1.26 -5.05 121.20 117.95 1xvi s ILE 95 Ca -0.05 -0.55 -0.12 0.00 -0.51 0.00 0.00 60.65 59.42 1xvi s ILE 95 Cb 0.13 -4.19 0.11 0.00 0.61 0.00 0.00 42.46 39.12 1xvi s ILE 95 CO 0.42 -0.65 1.13 -0.94 -2.81 0.00 0.00 174.94 172.09 1xvi s SER 96 N 2.42 3.92 0.27 4.50 1.04 -1.26 -4.66 113.70 119.92 1xvi s SER 96 Ca 0.12 1.06 -0.00 0.00 0.48 0.00 0.00 55.95 57.61 1xvi s SER 96 Cb -0.20 -1.68 0.56 0.00 0.10 0.00 0.00 66.02 64.81 1xvi s SER 96 CO 0.12 -2.30 1.75 -0.74 0.98 0.00 0.00 173.24 173.04 1xvi h HIS 97 N -1.33 0.76 -0.08 5.02 2.76 -0.93 -2.51 115.15 118.84 1xvi h HIS 97 Ca -0.49 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 57.72 1xvi h HIS 97 Cb 1.31 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 30.06 1xvi h HIS 97 CO 0.35 0.15 0.05 0.78 -1.30 0.00 0.00 177.93 177.97 1xvi h GLY 98 N 0.60 0.11 1.00 5.26 0.00 -1.92 0.00 103.07 108.14 1xvi h GLY 98 Ca 0.48 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.76 1xvi h GLY 98 CO -0.38 0.04 0.40 -2.09 0.00 0.00 0.00 176.54 174.51 1xvi h GLU 99 N 0.10 0.96 -0.35 4.80 4.81 -1.91 -1.65 114.58 121.34 1xvi h GLU 99 Ca 0.03 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 1xvi h GLU 99 Cb -0.00 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 1xvi h GLU 99 CO -0.01 0.71 0.08 0.82 -0.73 0.00 0.00 179.01 179.88 1xvi h ILE 100 N 0.95 1.23 -0.69 2.32 2.04 -1.28 -1.83 117.51 120.25 1xvi h ILE 100 Ca 0.25 -0.78 0.09 0.00 1.00 0.00 0.00 64.86 65.42 1xvi h ILE 100 Cb 0.01 1.07 -0.07 0.00 -0.74 0.00 0.00 36.82 37.09 1xvi h ILE 100 CO -0.04 0.26 0.34 0.28 0.00 0.00 0.00 178.15 178.98 1xvi h SER 101 N 0.41 0.43 -0.14 1.72 0.02 -0.86 0.96 113.55 116.09 1xvi h SER 101 Ca 0.11 0.06 0.04 0.00 -0.84 0.00 0.00 61.79 61.16 1xvi h SER 101 Cb 0.32 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.80 1xvi h SER 101 CO 0.00 0.25 -0.13 -0.07 -1.14 0.00 0.00 176.83 175.75 1xvi h LEU 102 N 0.58 -0.39 -0.36 5.07 3.38 -1.10 -0.66 115.31 121.82 1xvi h LEU 102 Ca 0.34 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.44 1xvi h LEU 102 Cb 0.36 0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 1xvi h LEU 102 CO -0.27 -0.17 0.07 0.58 0.09 0.00 0.00 178.44 178.75 1xvi h VAL 103 N -0.15 0.83 -0.50 1.22 2.07 -0.94 -1.90 116.25 116.88 1xvi h VAL 103 Ca 0.09 -0.07 -0.09 0.00 0.82 0.00 0.00 66.70 67.45 1xvi h VAL 103 Cb 0.28 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1xvi h VAL 103 CO -0.23 0.04 -0.04 -0.07 0.02 0.00 0.00 177.57 177.29 1xvi h LEU 104 N 0.20 0.90 -0.79 2.57 3.38 -0.59 -1.79 115.31 119.18 1xvi h LEU 104 Ca 0.17 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1xvi h LEU 104 Cb 0.19 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1xvi h LEU 104 CO -0.22 1.01 0.36 0.78 0.09 0.00 0.00 178.44 180.46 1xvi h ASN 105 N 0.77 1.06 -0.30 -0.43 2.35 -1.08 0.34 115.58 118.29 1xvi h ASN 105 Ca 0.14 -0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1xvi h ASN 105 Cb 0.58 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1xvi h ASN 105 CO 0.03 0.92 0.18 0.74 -1.65 0.00 0.00 177.43 177.65 1xvi h THR 106 N 1.14 1.11 -0.59 2.81 2.02 -1.13 0.21 112.91 118.47 1xvi h THR 106 Ca 0.27 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 1xvi h THR 106 Cb 0.16 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 1xvi h THR 106 CO -0.03 0.11 0.21 -0.07 0.37 0.00 0.00 175.52 176.12 1xvi h LEU 107 N 0.38 0.84 -0.07 2.58 3.38 -1.15 -1.25 115.31 120.03 1xvi h LEU 107 Ca 0.11 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1xvi h LEU 107 Cb 0.02 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 1xvi h LEU 107 CO -0.02 0.80 0.02 -0.09 0.09 0.00 0.00 178.44 179.24 1xvi h ARG 108 N 0.83 0.11 -0.73 1.13 2.43 -0.72 -0.23 114.38 117.20 1xvi h ARG 108 Ca 0.19 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.29 1xvi h ARG 108 Cb 0.24 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 1xvi h ARG 108 CO -0.01 0.30 0.28 0.93 -1.51 0.00 0.00 179.97 179.96 1xvi h GLU 109 N -0.11 1.10 0.16 0.20 4.39 -0.48 -1.11 114.58 118.74 1xvi h GLU 109 Ca 0.02 -0.21 -0.34 0.00 0.34 0.00 0.00 59.36 59.17 1xvi h GLU 109 Cb 0.24 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1xvi h GLU 109 CO 0.00 0.91 -1.73 -0.22 -1.16 0.00 0.00 179.01 176.81 1xvi h LYS 110 N 1.05 0.34 -0.00 2.33 1.63 -1.28 -3.40 116.57 117.24 1xvi h LYS 110 Ca 0.24 -0.59 0.00 0.00 -0.85 0.00 0.00 60.65 59.45 1xvi h LYS 110 Cb 0.23 0.22 0.00 0.00 -0.60 0.00 0.00 32.23 32.08 1xvi h LYS 110 CO -0.02 1.28 -0.49 0.39 -3.45 0.00 0.00 179.45 177.17 1xvi n GLU 111 N -3.65 2.77 -2.22 1.90 -0.58 -0.10 -5.01 120.64 113.76 1xvi n GLU 111 Ca -0.26 -0.17 -0.15 0.00 -0.42 0.00 0.00 57.16 56.16 1xvi n GLU 111 Cb 1.04 -1.09 -0.01 0.00 -0.57 0.00 0.00 31.44 30.80 1xvi n GLU 111 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1xvi n HIS 112 N -1.01 -0.66 -1.78 -0.32 8.25 -0.42 -4.97 115.22 114.31 1xvi n HIS 112 Ca 0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.08 1xvi n HIS 112 Cb 0.21 -3.11 -0.00 0.00 1.12 0.00 0.00 29.99 28.20 1xvi n HIS 112 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1xvi s PHE 113 N -2.74 2.60 -0.39 4.41 0.08 -1.26 -4.95 117.98 115.74 1xvi s PHE 113 Ca 0.00 1.07 -0.14 0.00 0.12 0.00 0.00 56.93 57.98 1xvi s PHE 113 Cb 0.00 -4.05 0.01 0.00 -0.57 0.00 0.00 43.02 38.41 1xvi s PHE 113 CO 0.00 -3.18 0.28 0.15 -0.10 0.00 0.00 175.22 172.37 1xvi s LYS 114 N -1.76 3.12 0.16 0.44 1.02 -1.26 -4.76 119.74 116.69 1xvi s LYS 114 Ca 0.55 -0.91 -0.24 0.00 0.02 0.00 0.00 55.97 55.40 1xvi s LYS 114 Cb -0.47 -3.93 0.07 0.00 -0.52 0.00 0.00 37.83 32.98 1xvi s LYS 114 CO 0.60 -0.66 0.67 -0.59 -0.92 0.00 0.00 175.35 174.45 1xvi s PHE 115 N 1.69 -0.45 -0.08 3.18 -0.12 -1.26 -1.25 117.98 119.69 1xvi s PHE 115 Ca 0.05 0.21 -0.00 0.00 -0.05 0.00 0.00 56.93 57.14 1xvi s PHE 115 Cb -0.19 0.58 0.02 0.00 -0.63 0.00 0.00 43.02 42.81 1xvi s PHE 115 CO 0.10 -0.87 -0.05 0.99 -0.05 0.00 0.00 175.22 175.35 1xvi s THR 116 N -3.68 0.70 0.54 -4.49 2.01 -0.67 -4.96 115.64 105.10 1xvi s THR 116 Ca 0.03 -0.13 -0.04 0.00 0.31 0.00 0.00 61.69 61.86 1xvi s THR 116 Cb -0.02 -0.75 0.00 0.00 0.01 0.00 0.00 72.50 71.74 1xvi s THR 116 CO -0.09 0.30 0.83 0.42 -0.69 0.00 0.00 174.62 175.39 1xvi s THR 117 N 1.50 3.87 0.57 -0.82 -4.23 -1.26 -0.26 115.64 115.01 1xvi s THR 117 Ca -0.01 -0.09 0.26 0.00 -1.18 0.00 0.00 61.69 60.67 1xvi s THR 117 Cb -0.13 -3.50 0.33 0.00 1.34 0.00 0.00 72.50 70.54 1xvi s THR 117 CO -0.04 -0.48 2.21 -0.26 -0.54 0.00 0.00 174.62 175.51 1xvi h PHE 118 N 0.01 0.00 0.00 3.99 -1.00 -0.95 -2.32 116.94 116.67 1xvi h PHE 118 Ca -0.46 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.25 1xvi h PHE 118 Cb 1.25 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.80 1xvi h PHE 118 CO 0.48 0.00 -0.33 -0.44 -1.61 0.00 0.00 178.31 176.41 1xvi h ASP 119 N 0.00 0.00 0.67 2.17 3.32 -1.92 -3.28 116.42 117.38 1xvi h ASP 119 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1xvi h ASP 119 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1xvi h ASP 119 CO -0.00 0.33 0.00 0.47 -1.72 0.00 0.00 179.24 178.32 1xvi n ASP 120 N -3.52 0.00 -4.40 6.45 8.00 -0.87 -4.89 116.55 117.31 1xvi n ASP 120 Ca -0.00 0.48 -0.20 0.00 0.71 0.00 0.00 54.79 55.78 1xvi n ASP 120 Cb 0.47 -0.49 -0.10 0.00 -0.02 0.00 0.00 41.12 40.98 1xvi n ASP 120 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1xvi s VAL 121 N -2.99 1.22 0.72 2.53 -7.23 -1.24 -5.03 120.40 108.39 1xvi s VAL 121 Ca 0.10 -2.04 -0.08 0.00 -1.81 0.00 0.00 61.98 58.15 1xvi s VAL 121 Cb 0.13 -2.57 0.06 0.00 0.56 0.00 0.00 36.38 34.57 1xvi s VAL 121 CO 0.36 -0.17 1.05 1.51 -0.31 0.00 0.00 175.10 177.54 1xvi s ASP 122 N -3.41 4.79 0.36 4.85 1.47 -1.26 -4.95 116.67 118.52 1xvi s ASP 122 Ca 0.32 0.56 0.26 0.00 1.18 0.00 0.00 52.55 54.88 1xvi s ASP 122 Cb 0.07 -1.19 0.84 0.00 -0.34 0.00 0.00 42.92 42.29 1xvi s ASP 122 CO 0.12 -1.64 1.76 -2.24 0.68 0.00 0.00 175.17 173.86 1xvi h ASP 123 N -0.69 0.00 0.11 2.11 3.04 -1.93 -2.44 116.42 116.62 1xvi h ASP 123 Ca -0.45 0.00 -0.06 0.00 -3.24 0.00 0.00 57.03 53.28 1xvi h ASP 123 Cb 1.32 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.59 1xvi h ASP 123 CO 0.62 0.00 -0.21 0.00 -2.04 0.00 0.00 179.24 177.61 1xvi h ALA 124 N 2.21 1.44 -0.09 4.15 0.00 -1.94 0.20 119.26 125.23 1xvi h ALA 124 Ca 0.00 -0.25 -0.23 0.00 0.00 0.00 0.00 54.91 54.43 1xvi h ALA 124 Cb 0.68 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.41 1xvi h ALA 124 CO 0.00 0.39 -0.84 1.15 0.00 0.00 0.00 179.25 179.95 1xvi h THR 125 N 0.18 1.29 -0.55 0.00 2.02 -1.83 -2.20 112.91 111.81 1xvi h THR 125 Ca 0.03 -2.06 -0.08 0.00 0.77 0.00 0.00 66.41 65.08 1xvi h THR 125 Cb 0.47 2.16 -0.02 0.00 -1.74 0.00 0.00 68.15 69.02 1xvi h THR 125 CO 0.03 0.64 0.04 0.40 0.37 0.00 0.00 175.52 177.01 1xvi h ILE 126 N 0.44 1.25 -0.57 3.11 2.04 -1.39 0.01 117.51 122.40 1xvi h ILE 126 Ca -0.08 -1.02 0.05 0.00 1.00 0.00 0.00 64.86 64.82 1xvi h ILE 126 Cb 1.49 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 38.30 1xvi h ILE 126 CO 0.17 0.37 0.29 0.00 0.00 0.00 0.00 178.15 178.98 1xvi h ALA 127 N 1.19 0.74 -0.40 1.87 0.00 -0.55 0.14 119.26 122.23 1xvi h ALA 127 Ca 0.17 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1xvi h ALA 127 Cb 0.45 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1xvi h ALA 127 CO 0.02 -0.05 0.15 0.93 0.00 0.00 0.00 179.25 180.30 1xvi h GLU 128 N 0.55 0.61 -0.54 0.00 5.08 -1.10 0.17 114.58 119.36 1xvi h GLU 128 Ca 0.25 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 58.40 1xvi h GLU 128 Cb 0.17 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1xvi h GLU 128 CO -0.18 0.58 -0.05 -1.49 -1.00 0.00 0.00 179.01 176.88 1xvi h TRP 129 N 0.51 1.04 0.00 4.33 6.55 -0.60 -3.28 115.95 124.50 1xvi h TRP 129 Ca 0.13 -0.18 -0.16 0.00 0.95 0.00 0.00 58.89 59.63 1xvi h TRP 129 Cb 0.21 -0.27 -0.03 0.00 -0.86 0.00 0.00 29.16 28.21 1xvi h TRP 129 CO 0.00 0.95 -1.81 0.25 -1.05 0.00 0.00 178.44 176.79 1xvi n THR 130 N -4.17 0.86 -1.00 1.49 -2.24 0.00 -4.98 114.28 104.24 1xvi n THR 130 Ca 0.02 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1xvi n THR 130 Cb 0.36 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 1xvi n THR 130 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xvi n GLY 131 N 1.43 0.54 3.88 3.38 0.00 0.58 -5.06 105.19 109.95 1xvi n GLY 131 Ca -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 1xvi n GLY 131 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xvi s LEU 132 N 0.00 2.43 0.78 0.99 1.43 -1.12 -4.96 118.68 118.23 1xvi s LEU 132 Ca 0.00 0.67 -0.12 0.00 -1.03 0.00 0.00 54.13 53.66 1xvi s LEU 132 Cb 0.00 -3.01 0.06 0.00 0.03 0.00 0.00 46.19 43.27 1xvi s LEU 132 CO 0.00 -2.27 1.12 -0.94 0.23 0.00 0.00 176.35 174.49 1xvi s SER 133 N -4.56 4.73 0.26 2.29 1.04 -1.26 -4.60 113.70 111.60 1xvi s SER 133 Ca 0.66 1.06 -0.02 0.00 0.48 0.00 0.00 55.95 58.13 1xvi s SER 133 Cb -0.10 -1.74 0.50 0.00 0.10 0.00 0.00 66.02 64.78 1xvi s SER 133 CO 0.51 -1.79 1.77 0.03 0.98 0.00 0.00 173.24 174.73 1xvi h ARG 134 N -0.97 0.61 -0.30 4.02 3.08 -1.95 0.52 114.38 119.40 1xvi h ARG 134 Ca -0.46 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.48 1xvi h ARG 134 Cb 1.29 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 1xvi h ARG 134 CO 0.63 0.40 -0.06 0.66 -1.07 0.00 0.00 179.97 180.53 1xvi h SER 135 N 0.63 0.58 -0.14 7.04 4.64 -1.93 0.15 113.55 124.52 1xvi h SER 135 Ca 0.44 -0.36 -0.16 0.00 -0.47 0.00 0.00 61.79 61.24 1xvi h SER 135 Cb 0.60 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 1xvi h SER 135 CO -0.35 0.80 -0.49 1.56 -0.87 0.00 0.00 176.83 177.49 1xvi h GLN 136 N 0.34 0.71 -0.97 4.77 4.20 -1.92 -2.93 115.11 119.31 1xvi h GLN 136 Ca 0.08 -0.41 0.08 0.00 0.06 0.00 0.00 58.65 58.45 1xvi h GLN 136 Cb 0.55 0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.29 1xvi h GLN 136 CO 0.03 1.03 0.63 0.00 -0.67 0.00 0.00 178.83 179.85 1xvi h ALA 137 N 0.90 1.48 -0.73 3.87 0.00 -0.62 -1.22 119.26 122.93 1xvi h ALA 137 Ca 0.03 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1xvi h ALA 137 Cb 1.05 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 1xvi h ALA 137 CO 0.10 0.35 0.45 0.00 0.00 0.00 0.00 179.25 180.15 1xvi h ALA 138 N 1.49 0.96 0.00 0.00 0.00 -0.51 -2.50 119.26 118.71 1xvi h ALA 138 Ca 0.43 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.24 1xvi h ALA 138 Cb 0.26 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1xvi h ALA 138 CO -0.18 0.21 -0.45 -0.07 0.00 0.00 0.00 179.25 178.75 1xvi h LEU 139 N 0.86 0.00 -1.03 0.00 3.38 -1.32 -2.37 115.31 114.83 1xvi h LEU 139 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1xvi h LEU 139 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1xvi h LEU 139 CO -0.13 0.45 0.00 0.00 0.09 0.00 0.00 178.44 178.85 1xvi h THR 140 N 0.00 0.00 0.00 0.22 1.03 -0.81 -2.89 112.91 110.46 1xvi h THR 140 Ca -0.00 -0.22 0.00 0.00 -0.01 0.00 0.00 66.41 66.17 1xvi h THR 140 Cb 0.97 0.96 0.00 0.00 -1.07 0.00 0.00 68.15 69.02 1xvi h THR 140 CO 0.06 0.00 -1.09 0.00 -0.01 0.00 0.00 175.52 174.48 1xvi n GLN 141 N -2.40 0.54 -1.96 0.00 6.02 -0.89 -4.70 117.38 113.99 1xvi n GLN 141 Ca 0.01 0.06 -0.42 0.00 -0.01 0.00 0.00 57.00 56.64 1xvi n GLN 141 Cb 0.20 -1.74 0.00 0.00 1.02 0.00 0.00 30.24 29.72 1xvi n GLN 141 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1xvi n LEU 142 N -2.47 6.93 -4.78 1.08 4.77 -1.09 -4.93 117.00 116.51 1xvi n LEU 142 Ca 0.00 -4.38 -0.37 0.00 -0.03 0.00 0.00 56.01 51.23 1xvi n LEU 142 Cb 0.53 -1.57 -0.04 0.00 -2.33 0.00 0.00 43.42 40.01 1xvi n LEU 142 CO 0.40 1.30 0.75 -1.00 -1.33 0.00 0.00 177.39 177.52 1xvi s HIS 143 N 1.85 3.22 -0.17 -1.77 3.76 -1.26 -4.57 115.29 116.34 1xvi s HIS 143 Ca 0.45 1.63 0.11 0.00 -0.15 0.00 0.00 55.06 57.10 1xvi s HIS 143 Cb 0.13 -3.18 -0.18 0.00 1.11 0.00 0.00 32.58 30.45 1xvi s HIS 143 CO -0.05 -0.78 -0.01 0.39 -0.85 0.00 0.00 174.74 173.44 1xvi n GLU 144 N -0.08 1.11 -1.50 1.40 1.02 -1.26 -4.73 120.64 116.59 1xvi n GLU 144 Ca 0.05 0.03 -0.01 0.00 -0.02 0.00 0.00 57.16 57.21 1xvi n GLU 144 Cb 0.49 -1.42 -0.00 0.00 -0.02 0.00 0.00 31.44 30.49 1xvi n GLU 144 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xvi n ALA 145 N -2.75 2.97 -3.80 0.62 0.00 -1.26 -0.35 120.51 115.95 1xvi n ALA 145 Ca -0.30 -1.63 -0.04 0.00 0.00 0.00 0.00 53.44 51.47 1xvi n ALA 145 Cb 0.99 -0.60 -0.01 0.00 0.00 0.00 0.00 19.45 19.84 1xvi n ALA 145 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1xvi s SER 146 N -1.70 -0.16 -0.02 0.00 1.04 -1.26 -4.44 113.70 107.17 1xvi s SER 146 Ca 0.18 -0.54 0.02 0.00 0.48 0.00 0.00 55.95 56.10 1xvi s SER 146 Cb 0.24 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.93 1xvi s SER 146 CO -0.09 -1.06 -0.07 -0.69 0.98 0.00 0.00 173.24 172.30 1xvi s VAL 147 N -3.21 0.66 -0.15 5.02 1.01 -0.22 -4.57 120.40 118.94 1xvi s VAL 147 Ca 0.13 -0.29 -0.09 0.00 0.00 0.00 0.00 61.98 61.74 1xvi s VAL 147 Cb -0.03 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 1xvi s VAL 147 CO 0.04 0.21 0.16 -0.89 0.00 0.00 0.00 175.10 174.63 1xvi s THR 148 N 0.25 5.44 0.12 3.92 2.01 -1.26 -0.31 115.64 125.81 1xvi s THR 148 Ca -0.03 0.25 -0.07 0.00 0.31 0.00 0.00 61.69 62.15 1xvi s THR 148 Cb -0.08 -3.46 -0.02 0.00 0.01 0.00 0.00 72.50 68.96 1xvi s THR 148 CO 0.00 0.54 0.18 -1.48 -0.69 0.00 0.00 174.62 173.17 1xvi s LEU 149 N -0.42 1.40 -0.23 4.42 0.05 -0.31 -0.17 118.68 123.42 1xvi s LEU 149 Ca 0.13 -0.88 -0.06 0.00 0.05 0.00 0.00 54.13 53.37 1xvi s LEU 149 Cb -0.12 0.88 -0.03 0.00 -2.05 0.00 0.00 46.19 44.88 1xvi s LEU 149 CO 0.02 -0.78 0.04 -0.63 -0.55 0.00 0.00 176.35 174.45 1xvi s ILE 150 N -3.95 4.16 -0.22 1.48 1.01 0.64 -1.60 121.20 122.72 1xvi s ILE 150 Ca 0.14 -0.23 -0.24 0.00 0.00 0.00 0.00 60.65 60.32 1xvi s ILE 150 Cb 0.05 -2.92 -0.01 0.00 0.01 0.00 0.00 42.46 39.59 1xvi s ILE 150 CO -0.04 0.38 0.78 0.86 0.00 0.00 0.00 174.94 176.92 1xvi s TRP 151 N 1.33 3.33 -0.18 3.97 -0.11 -1.26 -1.66 118.94 124.36 1xvi s TRP 151 Ca 0.05 1.09 0.13 0.00 1.22 0.00 0.00 56.10 58.58 1xvi s TRP 151 Cb -0.15 -2.98 0.27 0.00 -1.50 0.00 0.00 33.47 29.11 1xvi s TRP 151 CO 0.02 -0.33 1.17 0.54 -4.62 0.00 0.00 176.95 173.73 1xvi n ARG 152 N 5.70 2.16 -3.00 5.86 1.74 -0.38 -4.99 116.66 123.75 1xvi n ARG 152 Ca 0.04 -2.31 -0.16 0.00 -0.77 0.00 0.00 57.85 54.64 1xvi n ARG 152 Cb 0.48 -1.42 -0.01 0.00 -1.02 0.00 0.00 32.46 30.49 1xvi n ARG 152 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1xvi n ASP 153 N -0.85 2.18 -4.87 0.55 4.64 -0.97 -4.85 116.55 112.38 1xvi n ASP 153 Ca 0.13 -2.15 -0.29 0.00 -1.38 0.00 0.00 54.79 51.09 1xvi n ASP 153 Cb 0.57 0.02 0.08 0.00 -1.04 0.00 0.00 41.12 40.75 1xvi n ASP 153 CO 0.00 0.00 0.00 -0.94 -0.82 0.00 0.00 177.20 175.44 1xvi s SER 154 N -2.85 4.68 0.28 1.67 1.04 -1.26 -4.88 113.70 112.37 1xvi s SER 154 Ca 0.15 0.98 -0.01 0.00 0.48 0.00 0.00 55.95 57.54 1xvi s SER 154 Cb -0.01 -1.61 0.39 0.00 0.10 0.00 0.00 66.02 64.89 1xvi s SER 154 CO 0.09 -1.82 1.81 0.44 0.98 0.00 0.00 173.24 174.75 1xvi h ASP 155 N -0.99 0.77 -0.11 7.02 3.32 -2.00 0.50 116.42 124.93 1xvi h ASP 155 Ca -0.46 -0.15 -0.15 0.00 0.02 0.00 0.00 57.03 56.29 1xvi h ASP 155 Cb 1.30 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 1xvi h ASP 155 CO 0.64 0.77 -0.46 -0.33 -1.72 0.00 0.00 179.24 178.14 1xvi h GLU 156 N 0.78 0.66 -0.47 3.56 4.39 -1.99 -0.62 114.58 120.89 1xvi h GLU 156 Ca 0.17 -0.37 -0.09 0.00 0.34 0.00 0.00 59.36 59.41 1xvi h GLU 156 Cb 0.33 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1xvi h GLU 156 CO 0.00 0.98 -0.06 0.00 -1.16 0.00 0.00 179.01 178.78 1xvi h ARG 157 N 0.53 0.82 -0.79 2.33 2.47 -1.90 -1.99 114.38 115.85 1xvi h ARG 157 Ca 0.03 -0.25 -0.03 0.00 -1.26 0.00 0.00 59.98 58.47 1xvi h ARG 157 Cb 1.00 -0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 29.20 1xvi h ARG 157 CO 0.09 0.86 0.37 1.98 0.56 0.00 0.00 179.97 183.83 1xvi h MET 158 N 0.75 1.15 -0.67 0.04 4.05 -0.68 -1.08 114.93 118.49 1xvi h MET 158 Ca 0.14 -0.18 -0.02 0.00 -0.28 0.00 0.00 59.70 59.36 1xvi h MET 158 Cb 0.54 -0.20 -0.03 0.00 -0.80 0.00 0.00 31.60 31.10 1xvi h MET 158 CO 0.03 0.90 0.34 0.00 0.23 0.00 0.00 176.91 178.41 1xvi h ALA 159 N 1.19 0.86 -0.10 0.39 0.00 -0.84 0.13 119.26 120.89 1xvi h ALA 159 Ca 0.27 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 1xvi h ALA 159 Cb 0.14 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1xvi h ALA 159 CO -0.03 0.41 -0.53 -0.56 0.00 0.00 0.00 179.25 178.54 1xvi h GLN 160 N 0.93 0.29 0.66 0.00 3.07 -1.19 -2.36 115.11 116.50 1xvi h GLN 160 Ca 0.23 -0.18 -0.03 0.00 0.09 0.00 0.00 58.65 58.77 1xvi h GLN 160 Cb 0.09 0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.67 1xvi h GLN 160 CO -0.03 0.75 -0.35 0.35 0.09 0.00 0.00 178.83 179.64 1xvi h PHE 161 N 0.23 -0.92 -0.56 0.06 3.57 -0.83 -1.69 116.94 116.80 1xvi h PHE 161 Ca 0.01 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.60 1xvi h PHE 161 Cb 1.01 0.31 -0.09 0.00 2.79 0.00 0.00 35.95 39.97 1xvi h PHE 161 CO 0.02 -0.55 0.01 0.00 -2.23 0.00 0.00 178.31 175.56 1xvi h THR 162 N -0.93 0.55 -0.27 4.41 1.03 -0.76 0.66 112.91 117.60 1xvi h THR 162 Ca -0.09 -0.04 0.00 0.00 -0.01 0.00 0.00 66.41 66.27 1xvi h THR 162 Cb 0.73 0.42 -0.01 0.00 -1.07 0.00 0.00 68.15 68.21 1xvi h THR 162 CO 0.12 0.02 0.18 0.00 -0.01 0.00 0.00 175.52 175.83 1xvi h ALA 163 N 1.50 0.34 -0.45 0.00 0.00 -1.41 0.32 119.26 119.56 1xvi h ALA 163 Ca 0.29 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1xvi h ALA 163 Cb 0.45 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1xvi h ALA 163 CO -0.47 -0.19 0.18 -0.09 0.00 0.00 0.00 179.25 178.68 1xvi h ARG 164 N 0.36 0.67 -0.37 0.00 9.65 -1.02 -1.07 114.38 122.60 1xvi h ARG 164 Ca 0.10 -0.12 0.04 0.00 -1.10 0.00 0.00 59.98 58.90 1xvi h ARG 164 Cb -0.04 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 28.40 1xvi h ARG 164 CO -0.03 0.61 0.14 -0.07 2.80 0.00 0.00 179.97 183.42 1xvi h LEU 165 N 0.58 0.16 -0.76 3.80 3.38 -0.22 -2.93 115.31 119.32 1xvi h LEU 165 Ca 0.15 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.16 1xvi h LEU 165 Cb 0.19 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1xvi h LEU 165 CO -0.01 0.13 0.50 0.78 0.09 0.00 0.00 178.44 179.92 1xvi h ASN 166 N 0.29 0.88 0.74 -0.43 2.35 -0.01 -0.74 115.58 118.67 1xvi h ASN 166 Ca 0.17 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1xvi h ASN 166 Cb 0.13 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.28 1xvi h ASN 166 CO -0.16 0.65 0.00 1.05 -1.65 0.00 0.00 177.43 177.32 1xvi h GLU 167 N 1.03 0.00 -0.65 0.81 4.11 -1.13 -2.14 114.58 116.61 1xvi h GLU 167 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.71 1xvi h GLU 167 Cb -0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1xvi h GLU 167 CO -0.06 0.00 0.00 1.28 0.07 0.00 0.00 179.01 180.30 1xvi n LEU 168 N -2.32 4.01 -0.65 3.06 4.77 -0.60 -4.95 117.00 120.32 1xvi n LEU 168 Ca 0.02 -2.02 -0.07 0.00 -0.03 0.00 0.00 56.01 53.92 1xvi n LEU 168 Cb 0.23 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.81 1xvi n LEU 168 CO 0.20 0.80 -0.08 0.61 -1.33 0.00 0.00 177.39 177.60 1xvi n GLY 169 N 1.27 0.39 3.37 -0.72 0.00 -0.80 -5.03 105.19 103.67 1xvi n GLY 169 Ca 0.23 -0.67 -0.28 0.00 0.00 0.00 0.00 46.02 45.30 1xvi n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xvi s LEU 170 N -1.72 2.31 0.31 0.99 1.43 -0.39 -1.54 118.68 120.06 1xvi s LEU 170 Ca 0.00 -0.73 0.09 0.00 -1.03 0.00 0.00 54.13 52.46 1xvi s LEU 170 Cb 0.00 -1.16 -0.04 0.00 0.03 0.00 0.00 46.19 45.01 1xvi s LEU 170 CO 0.00 0.16 0.05 0.00 0.23 0.00 0.00 176.35 176.79 1xvi s GLN 171 N -2.00 2.28 -0.23 1.70 -2.07 0.20 -2.57 119.66 116.97 1xvi s GLN 171 Ca 0.13 -1.53 0.01 0.00 -1.82 0.00 0.00 55.36 52.14 1xvi s GLN 171 Cb -0.10 -2.12 0.06 0.00 -1.09 0.00 0.00 33.01 29.76 1xvi s GLN 171 CO 0.06 0.23 -0.05 0.12 -1.32 0.00 0.00 175.29 174.32 1xvi s PHE 172 N -2.40 2.36 -0.13 9.60 5.36 -1.26 -2.73 117.98 128.78 1xvi s PHE 172 Ca 0.34 -1.72 -0.00 0.00 -0.96 0.00 0.00 56.93 54.60 1xvi s PHE 172 Cb -0.04 -1.57 -0.02 0.00 -0.34 0.00 0.00 43.02 41.06 1xvi s PHE 172 CO 0.21 -0.77 -0.13 1.41 -1.46 0.00 0.00 175.22 174.48 1xvi s MET 173 N 1.41 3.36 -0.31 10.12 -2.45 0.81 -4.93 119.30 127.32 1xvi s MET 173 Ca -0.05 -0.68 -0.20 0.00 -1.25 0.00 0.00 55.69 53.51 1xvi s MET 173 Cb -0.19 -2.63 -0.01 0.00 1.25 0.00 0.00 34.83 33.25 1xvi s MET 173 CO -0.06 0.24 0.60 -1.14 1.05 0.00 0.00 175.02 175.71 1xvi s GLN 174 N 0.30 3.89 0.00 4.11 0.74 -1.26 -0.25 119.66 127.18 1xvi s GLN 174 Ca -0.10 0.25 0.00 0.00 0.05 0.00 0.00 55.36 55.56 1xvi s GLN 174 Cb -0.16 -3.73 0.00 0.00 1.10 0.00 0.00 33.01 30.23 1xvi s GLN 174 CO 0.05 -0.55 0.00 0.41 -0.55 0.00 0.00 175.29 174.65 1xvi n GLY 175 N 4.47 1.17 0.19 2.59 0.00 0.13 -5.02 105.19 108.72 1xvi n GLY 175 Ca -0.02 -1.98 -0.11 0.00 0.00 0.00 0.00 46.02 43.91 1xvi n GLY 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xvi h ALA 176 N -0.56 -0.19 0.00 4.61 0.00 -2.02 -3.39 119.26 117.72 1xvi h ALA 176 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xvi h ALA 176 Cb 0.00 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1xvi h ALA 176 CO 0.00 -0.65 -0.97 0.54 0.00 0.00 0.00 179.25 178.18 1xvi n ARG 177 N -5.28 2.03 -4.49 0.00 1.74 -1.26 -5.09 116.66 104.31 1xvi n ARG 177 Ca -0.05 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.79 1xvi n ARG 177 Cb 0.20 -0.98 -0.11 0.00 -1.02 0.00 0.00 32.46 30.55 1xvi n ARG 177 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1xvi s PHE 178 N -1.95 2.14 0.18 -1.55 0.08 -1.26 -5.01 117.98 110.61 1xvi s PHE 178 Ca 0.00 -0.74 0.03 0.00 0.12 0.00 0.00 56.93 56.34 1xvi s PHE 178 Cb 0.00 -1.34 -0.03 0.00 -0.57 0.00 0.00 43.02 41.07 1xvi s PHE 178 CO 0.00 0.28 0.32 -1.58 -0.10 0.00 0.00 175.22 174.13 1xvi s TRP 179 N -2.98 3.47 -0.01 0.36 0.52 -0.63 -0.70 118.94 118.98 1xvi s TRP 179 Ca 0.33 0.08 0.01 0.00 0.02 0.00 0.00 56.10 56.54 1xvi s TRP 179 Cb 0.06 -1.64 0.00 0.00 -1.15 0.00 0.00 33.47 30.75 1xvi s TRP 179 CO 0.15 0.48 -0.04 -1.01 0.02 0.00 0.00 176.95 176.55 1xvi s HIS 180 N -1.83 0.46 -0.12 -1.98 3.76 0.65 -1.16 115.29 115.07 1xvi s HIS 180 Ca 0.35 -0.09 0.01 0.00 -0.15 0.00 0.00 55.06 55.18 1xvi s HIS 180 Cb -0.10 -0.35 -0.01 0.00 1.11 0.00 0.00 32.58 33.22 1xvi s HIS 180 CO 0.29 -0.05 -0.16 0.08 -0.85 0.00 0.00 174.74 174.05 1xvi s VAL 181 N 0.21 2.79 0.19 -0.90 1.01 0.57 -0.13 120.40 124.14 1xvi s VAL 181 Ca -0.02 -0.76 -0.23 0.00 0.00 0.00 0.00 61.98 60.97 1xvi s VAL 181 Cb -0.06 -2.15 0.05 0.00 0.00 0.00 0.00 36.38 34.23 1xvi s VAL 181 CO -0.00 0.53 0.78 -1.48 0.00 0.00 0.00 175.10 174.93 1xvi s LEU 182 N 0.35 -0.32 -0.25 3.92 2.34 -1.11 -1.06 118.68 122.55 1xvi s LEU 182 Ca -0.13 -0.35 -0.43 0.00 0.06 0.00 0.00 54.13 53.28 1xvi s LEU 182 Cb -0.16 2.47 -0.19 0.00 -0.56 0.00 0.00 46.19 47.75 1xvi s LEU 182 CO 0.07 -1.07 1.43 -0.67 -1.06 0.00 0.00 176.35 175.05 1xvi n ASP 183 N -0.42 1.04 0.26 1.48 -0.08 -1.26 -0.63 116.55 116.94 1xvi n ASP 183 Ca -0.08 1.16 0.10 0.00 -1.51 0.00 0.00 54.79 54.46 1xvi n ASP 183 Cb 0.61 -0.96 0.70 0.00 2.34 0.00 0.00 41.12 43.81 1xvi n ASP 183 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xvi h ALA 184 N 4.65 1.58 -0.31 -1.67 0.00 -1.54 -2.51 119.26 119.46 1xvi h ALA 184 Ca -0.47 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1xvi h ALA 184 Cb 1.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1xvi h ALA 184 CO 0.85 0.11 0.00 -1.13 0.00 0.00 0.00 179.25 179.08 1xvi n SER 185 N -4.04 2.49 -4.97 0.00 3.41 -1.26 -4.85 113.62 104.39 1xvi n SER 185 Ca -0.03 -1.87 -0.21 0.00 -0.26 0.00 0.00 58.87 56.50 1xvi n SER 185 Cb 0.18 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 1xvi n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xvi s ALA 186 N -1.60 3.93 0.00 7.33 0.00 -0.95 -5.01 121.76 125.47 1xvi s ALA 186 Ca 0.34 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1xvi s ALA 186 Cb 0.19 -1.94 0.00 0.00 0.00 0.00 0.00 23.12 21.37 1xvi s ALA 186 CO 0.27 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.28 1xvi n GLY 187 N -1.83 1.62 0.31 0.00 0.00 -1.20 -4.95 105.19 99.14 1xvi n GLY 187 Ca -0.01 -0.47 0.04 0.00 0.00 0.00 0.00 46.02 45.58 1xvi n GLY 187 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xvi h LYS 188 N 0.00 0.76 -0.57 1.61 1.57 -1.82 0.34 116.57 118.45 1xvi h LYS 188 Ca 0.00 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1xvi h LYS 188 Cb 0.00 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 1xvi h LYS 188 CO 0.00 0.50 0.27 0.38 -0.57 0.00 0.00 179.45 180.03 1xvi h ASP 189 N 0.78 0.75 -0.10 0.86 2.03 -1.89 -0.65 116.42 118.20 1xvi h ASP 189 Ca 0.42 -0.14 -0.01 0.00 -0.73 0.00 0.00 57.03 56.58 1xvi h ASP 189 Cb 0.44 -0.19 -0.00 0.00 -0.83 0.00 0.00 39.33 38.74 1xvi h ASP 189 CO -0.27 0.68 0.03 1.56 -1.03 0.00 0.00 179.24 180.21 1xvi h GLN 190 N 0.77 0.15 -0.32 4.15 1.08 -1.71 0.63 115.11 119.85 1xvi h GLN 190 Ca 0.19 -0.03 0.03 0.00 -1.45 0.00 0.00 58.65 57.40 1xvi h GLN 190 Cb 0.13 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.51 1xvi h GLN 190 CO -0.02 0.29 0.12 0.00 -0.95 0.00 0.00 178.83 178.26 1xvi h ALA 191 N 0.85 0.38 -0.37 3.87 0.00 -0.92 -2.05 119.26 121.02 1xvi h ALA 191 Ca 0.03 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1xvi h ALA 191 Cb 0.20 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1xvi h ALA 191 CO -0.00 -0.28 0.23 0.00 0.00 0.00 0.00 179.25 179.21 1xvi h ALA 192 N 1.20 0.47 -0.79 0.00 0.00 -0.94 -1.46 119.26 117.74 1xvi h ALA 192 Ca 0.14 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.17 1xvi h ALA 192 Cb 0.11 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 17.68 1xvi h ALA 192 CO -0.14 -0.10 0.38 -0.91 0.00 0.00 0.00 179.25 178.48 1xvi h ASN 193 N 0.47 0.45 -0.17 0.00 2.35 -0.46 0.91 115.58 119.14 1xvi h ASN 193 Ca 0.14 0.09 -0.05 0.00 -0.55 0.00 0.00 56.30 55.92 1xvi h ASN 193 Cb -0.03 0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 1xvi h ASN 193 CO -0.05 0.21 -0.10 -0.25 -1.65 0.00 0.00 177.43 175.59 1xvi h TRP 194 N 0.58 0.43 -0.20 1.19 7.01 -0.80 -1.25 115.95 122.91 1xvi h TRP 194 Ca 0.42 -0.11 0.04 0.00 2.11 0.00 0.00 58.89 61.35 1xvi h TRP 194 Cb 0.57 -0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 27.49 1xvi h TRP 194 CO -0.11 0.70 -0.07 0.82 -2.79 0.00 0.00 178.44 176.98 1xvi h ILE 195 N 0.03 0.74 -0.51 2.65 2.04 -1.00 -1.02 117.51 120.44 1xvi h ILE 195 Ca 0.03 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.94 1xvi h ILE 195 Cb 0.60 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 1xvi h ILE 195 CO 0.03 0.00 0.26 0.40 0.00 0.00 0.00 178.15 178.84 1xvi h ILE 196 N -0.04 0.97 -0.56 -0.67 2.04 -0.74 -1.83 117.51 116.67 1xvi h ILE 196 Ca 0.10 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 1xvi h ILE 196 Cb 0.19 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 1xvi h ILE 196 CO -0.23 0.09 0.21 0.00 0.00 0.00 0.00 178.15 178.23 1xvi h ALA 197 N 1.27 1.31 -0.04 1.87 0.00 -1.01 -1.38 119.26 121.28 1xvi h ALA 197 Ca 0.22 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1xvi h ALA 197 Cb 0.12 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1xvi h ALA 197 CO -0.15 0.51 -0.01 1.15 0.00 0.00 0.00 179.25 180.75 1xvi h THR 198 N 0.81 1.28 -0.75 0.00 2.02 -0.76 -1.06 112.91 114.45 1xvi h THR 198 Ca 0.19 -0.87 0.09 0.00 0.77 0.00 0.00 66.41 66.60 1xvi h THR 198 Cb 0.18 1.78 -0.05 0.00 -1.74 0.00 0.00 68.15 68.32 1xvi h THR 198 CO -0.02 0.23 0.49 1.88 0.37 0.00 0.00 175.52 178.48 1xvi h TYR 199 N -0.26 0.71 -0.19 3.16 0.05 -1.10 -1.19 116.97 118.15 1xvi h TYR 199 Ca 0.01 0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.74 1xvi h TYR 199 Cb 0.38 -0.23 -0.00 0.00 1.01 0.00 0.00 36.73 37.89 1xvi h TYR 199 CO 0.05 0.34 -0.17 0.37 -1.05 0.00 0.00 178.16 177.69 1xvi h GLN 200 N 0.67 0.45 -0.58 4.88 4.15 -0.95 -1.83 115.11 121.90 1xvi h GLN 200 Ca 0.34 -0.23 -0.05 0.00 0.77 0.00 0.00 58.65 59.48 1xvi h GLN 200 Cb 0.45 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 1xvi h GLN 200 CO -0.12 0.80 0.16 -0.56 -1.93 0.00 0.00 178.83 177.18 1xvi h GLN 201 N 0.12 0.91 -0.40 1.69 3.07 -0.94 -0.97 115.11 118.59 1xvi h GLN 201 Ca 0.03 -0.21 -0.08 0.00 0.09 0.00 0.00 58.65 58.48 1xvi h GLN 201 Cb 0.71 -0.13 -0.01 0.00 0.08 0.00 0.00 27.48 28.13 1xvi h GLN 201 CO 0.04 0.83 -0.07 -0.07 0.09 0.00 0.00 178.83 179.65 1xvi h LEU 202 N 0.82 0.75 0.00 0.06 3.38 -1.21 -3.29 115.31 115.83 1xvi h LEU 202 Ca 0.18 -0.35 -0.23 0.00 0.09 0.00 0.00 57.88 57.57 1xvi h LEU 202 Cb 0.32 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1xvi h LEU 202 CO -0.00 0.93 -1.19 0.77 0.09 0.00 0.00 178.44 179.03 1xvi h SER 203 N 0.57 0.00 0.00 -0.43 4.64 -1.36 -3.48 113.55 113.49 1xvi h SER 203 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1xvi h SER 203 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1xvi h SER 203 CO 0.04 0.98 0.00 0.61 -0.87 0.00 0.00 176.83 177.58 1xvi n GLY 204 N 1.40 0.80 3.12 -0.77 0.00 -0.37 -4.89 105.19 104.48 1xvi n GLY 204 Ca -0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 1xvi n GLY 204 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xvi s LYS 205 N -0.27 1.10 0.05 1.61 1.02 -1.22 -5.03 119.74 117.01 1xvi s LYS 205 Ca 0.00 -0.56 -0.30 0.00 0.02 0.00 0.00 55.97 55.12 1xvi s LYS 205 Cb 0.00 -1.08 -0.08 0.00 -0.52 0.00 0.00 37.83 36.15 1xvi s LYS 205 CO 0.00 0.29 1.79 0.50 -0.92 0.00 0.00 175.35 177.01 1xvi s ARG 206 N -0.51 4.16 0.57 1.68 3.52 -1.26 -4.38 118.95 122.73 1xvi s ARG 206 Ca 0.05 2.45 -0.20 0.00 -0.13 0.00 0.00 55.73 57.90 1xvi s ARG 206 Cb -0.06 -3.84 -0.04 0.00 -1.56 0.00 0.00 34.95 29.45 1xvi s ARG 206 CO -0.00 -0.85 1.24 -2.14 -0.81 0.00 0.00 175.30 172.75 1xvi s PRO 207 N 3.48 3.07 -0.16 5.12 0.02 -1.26 -4.61 135.00 140.65 1xvi s PRO 207 Ca 0.80 1.93 -0.05 0.00 0.02 0.00 0.00 61.00 63.70 1xvi s PRO 207 Cb -0.41 -2.05 -0.03 0.00 0.02 0.00 0.00 34.50 32.03 1xvi s PRO 207 CO 0.35 -1.16 0.01 0.99 -0.33 0.00 0.00 177.00 176.87 1xvi s THR 208 N -1.50 4.34 0.07 0.99 2.01 -0.73 -5.02 115.64 115.80 1xvi s THR 208 Ca 0.75 -0.20 0.09 0.00 0.31 0.00 0.00 61.69 62.64 1xvi s THR 208 Cb -0.33 -2.92 -0.03 0.00 0.01 0.00 0.00 72.50 69.23 1xvi s THR 208 CO 0.37 0.49 -0.24 0.42 -0.69 0.00 0.00 174.62 174.97 1xvi s THR 209 N 0.23 1.94 -0.07 -0.82 -4.23 -1.26 -1.35 115.64 110.08 1xvi s THR 209 Ca 0.01 -1.43 0.01 0.00 -1.18 0.00 0.00 61.69 59.10 1xvi s THR 209 Cb -0.13 -1.70 0.02 0.00 1.34 0.00 0.00 72.50 72.03 1xvi s THR 209 CO 0.02 0.19 -0.09 -0.22 -0.54 0.00 0.00 174.62 173.97 1xvi s LEU 210 N -1.49 1.47 -0.07 4.79 2.96 0.13 -1.67 118.68 124.80 1xvi s LEU 210 Ca 0.10 -0.25 0.02 0.00 -0.22 0.00 0.00 54.13 53.77 1xvi s LEU 210 Cb -0.10 -0.73 -0.03 0.00 0.50 0.00 0.00 46.19 45.84 1xvi s LEU 210 CO 0.03 -0.02 -0.11 -0.83 -1.32 0.00 0.00 176.35 174.11 1xvi s GLY 211 N 0.92 1.60 -0.18 7.98 0.00 0.18 0.65 107.32 118.47 1xvi s GLY 211 Ca -0.10 -0.93 0.01 0.00 0.00 0.00 0.00 44.72 43.70 1xvi s GLY 211 CO 0.01 -0.64 -0.15 1.08 0.00 0.00 0.00 173.10 173.40 1xvi s LEU 212 N -0.60 2.13 0.35 0.66 1.43 -0.31 -1.41 118.68 120.92 1xvi s LEU 212 Ca 0.09 -0.72 0.06 0.00 -1.03 0.00 0.00 54.13 52.53 1xvi s LEU 212 Cb -0.11 -1.32 -0.07 0.00 0.03 0.00 0.00 46.19 44.72 1xvi s LEU 212 CO 0.01 -0.07 -0.01 -0.83 0.23 0.00 0.00 176.35 175.68 1xvi s GLY 213 N 1.37 2.20 -0.12 -3.19 0.00 -0.78 -0.93 107.32 105.87 1xvi s GLY 213 Ca 0.02 -2.13 0.15 0.00 0.00 0.00 0.00 44.72 42.77 1xvi s GLY 213 CO -0.10 -1.96 1.14 2.09 0.00 0.00 0.00 173.10 174.27 1xvi n ASP 214 N -0.79 1.78 -3.73 1.64 5.68 -1.25 -0.41 116.55 119.48 1xvi n ASP 214 Ca -0.04 -3.05 -0.03 0.00 -0.50 0.00 0.00 54.79 51.17 1xvi n ASP 214 Cb 0.66 -0.41 -0.01 0.00 -1.14 0.00 0.00 41.12 40.21 1xvi n ASP 214 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1xvi s GLY 215 N -2.63 -0.26 0.56 6.12 0.00 -1.26 -4.88 107.32 104.97 1xvi s GLY 215 Ca 0.29 0.21 0.34 0.00 0.00 0.00 0.00 44.72 45.56 1xvi s GLY 215 CO -0.01 0.04 2.07 -0.56 0.00 0.00 0.00 173.10 174.65 1xvi h PRO 216 N 2.00 0.00 -0.01 2.90 0.13 -2.03 -2.96 132.00 132.03 1xvi h PRO 216 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1xvi h PRO 216 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1xvi h PRO 216 CO 0.26 0.04 0.00 0.27 -0.23 0.00 0.00 178.00 178.34 1xvi n ASN 217 N -3.21 0.64 -0.03 1.44 0.23 -1.26 -3.00 115.26 110.06 1xvi n ASN 217 Ca -0.01 -1.24 0.12 0.00 -0.53 0.00 0.00 54.58 52.93 1xvi n ASN 217 Cb 0.25 -0.00 0.72 0.00 -2.08 0.00 0.00 39.78 38.67 1xvi n ASN 217 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1xvi n ASP 218 N -0.49 0.09 -0.16 0.53 8.00 -1.12 -4.44 116.55 118.97 1xvi n ASP 218 Ca 0.21 -1.25 -0.02 0.00 0.71 0.00 0.00 54.79 54.45 1xvi n ASP 218 Cb 0.21 -0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.37 1xvi n ASP 218 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xvi h ALA 219 N 3.80 0.48 0.50 2.24 0.00 -1.76 -1.87 119.26 122.66 1xvi h ALA 219 Ca 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1xvi h ALA 219 Cb 0.03 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1xvi h ALA 219 CO 0.00 -0.38 -0.52 -1.35 0.00 0.00 0.00 179.25 177.01 1xvi h PRO 220 N 0.13 -0.98 -0.67 0.00 0.11 -1.89 0.37 132.00 129.07 1xvi h PRO 220 Ca 0.25 0.07 0.14 0.00 0.11 0.00 0.00 66.00 66.57 1xvi h PRO 220 Cb 0.37 0.22 -0.11 0.00 0.11 0.00 0.00 31.00 31.60 1xvi h PRO 220 CO -0.40 -0.65 0.05 1.25 -0.21 0.00 0.00 178.00 178.04 1xvi h LEU 221 N -1.02 -0.19 -0.95 2.35 5.85 -1.86 -2.49 115.31 116.99 1xvi h LEU 221 Ca -0.06 0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1xvi h LEU 221 Cb 0.89 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1xvi h LEU 221 CO -0.07 -0.10 -0.28 -0.07 -0.34 0.00 0.00 178.44 177.58 1xvi h LEU 222 N 0.16 0.00 -1.11 2.25 3.38 -0.85 -2.96 115.31 116.18 1xvi h LEU 222 Ca 0.36 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.27 1xvi h LEU 222 Cb 0.60 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1xvi h LEU 222 CO -0.54 0.28 -0.00 -0.33 0.09 0.00 0.00 178.44 177.94 1xvi h GLU 223 N 0.00 0.62 -0.00 1.13 4.39 0.21 -2.60 114.58 118.33 1xvi h GLU 223 Ca -0.00 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.55 1xvi h GLU 223 Cb 0.84 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.41 1xvi h GLU 223 CO 0.04 0.65 -0.10 1.33 -1.16 0.00 0.00 179.01 179.76 1xvi n VAL 224 N -4.25 0.00 -2.77 3.13 0.24 -1.12 -4.86 118.33 108.70 1xvi n VAL 224 Ca 0.02 -0.03 -0.36 0.00 -2.04 0.00 0.00 64.34 61.93 1xvi n VAL 224 Cb 0.27 -0.23 -0.06 0.00 -1.47 0.00 0.00 33.84 32.35 1xvi n VAL 224 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 1xvi s MET 225 N -2.61 4.45 0.14 7.34 -1.94 -0.98 -4.98 119.30 120.73 1xvi s MET 225 Ca 0.25 1.28 -0.16 0.00 -1.71 0.00 0.00 55.69 55.35 1xvi s MET 225 Cb 0.20 -2.61 0.00 0.00 2.01 0.00 0.00 34.83 34.43 1xvi s MET 225 CO 0.50 0.16 1.76 -0.44 -0.01 0.00 0.00 175.02 176.99 1xvi h ASP 226 N 2.76 0.48 -3.83 3.03 3.32 -1.85 -3.43 116.42 116.90 1xvi h ASP 226 Ca -0.47 -0.07 -0.52 0.00 0.02 0.00 0.00 57.03 55.98 1xvi h ASP 226 Cb 1.19 -0.12 -0.31 0.00 0.22 0.00 0.00 39.33 40.31 1xvi h ASP 226 CO 0.64 0.41 -0.82 -0.31 -1.72 0.00 0.00 179.24 177.43 1xvi s TYR 227 N -5.93 1.49 -0.02 4.55 2.02 -0.67 -5.03 117.35 113.76 1xvi s TYR 227 Ca -0.13 -0.43 0.01 0.00 -0.37 0.00 0.00 57.07 56.15 1xvi s TYR 227 Cb 0.10 -1.02 0.02 0.00 -0.40 0.00 0.00 41.96 40.66 1xvi s TYR 227 CO 0.73 -0.16 -0.01 0.00 -1.57 0.00 0.00 175.55 174.54 1xvi s ALA 228 N 0.14 0.28 0.05 3.71 0.00 -1.26 -0.64 121.76 124.04 1xvi s ALA 228 Ca -0.05 0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.05 1xvi s ALA 228 Cb -0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 1xvi s ALA 228 CO 0.02 -0.03 -0.14 0.14 0.00 0.00 0.00 175.76 175.74 1xvi s VAL 229 N 0.69 1.14 -0.18 0.00 -7.23 -0.50 -4.97 120.40 109.35 1xvi s VAL 229 Ca -0.07 -1.08 -0.14 0.00 -1.81 0.00 0.00 61.98 58.89 1xvi s VAL 229 Cb -0.10 -1.05 -0.04 0.00 0.56 0.00 0.00 36.38 35.75 1xvi s VAL 229 CO -0.01 -0.03 0.30 -0.63 -0.31 0.00 0.00 175.10 174.41 1xvi s ILE 230 N -0.94 5.29 -0.01 -0.62 -1.09 -1.26 -1.87 121.20 120.71 1xvi s ILE 230 Ca 0.01 0.54 0.04 0.00 -2.23 0.00 0.00 60.65 59.02 1xvi s ILE 230 Cb -0.08 -3.64 -0.03 0.00 -1.58 0.00 0.00 42.46 37.13 1xvi s ILE 230 CO 0.02 0.35 -0.13 0.68 -1.23 0.00 0.00 174.94 174.63 1xvi s VAL 231 N 0.74 3.17 -0.13 2.92 -7.23 0.45 -4.96 120.40 115.36 1xvi s VAL 231 Ca 0.16 -0.87 -0.01 0.00 -1.81 0.00 0.00 61.98 59.45 1xvi s VAL 231 Cb -0.13 -2.31 0.04 0.00 0.56 0.00 0.00 36.38 34.53 1xvi s VAL 231 CO 0.05 0.46 -0.03 -0.75 -0.31 0.00 0.00 175.10 174.51 1xvi s LYS 232 N -1.14 1.15 0.87 4.82 2.47 -1.26 -4.45 119.74 122.20 1xvi s LYS 232 Ca 0.14 -0.27 -0.10 0.00 -1.56 0.00 0.00 55.97 54.18 1xvi s LYS 232 Cb -0.11 -1.63 0.12 0.00 -1.46 0.00 0.00 37.83 34.75 1xvi s LYS 232 CO 0.04 -0.38 1.13 0.20 0.16 0.00 0.00 175.35 176.51 1xvi s GLY 233 N 1.77 1.70 0.00 5.54 0.00 -1.26 -5.22 107.32 109.85 1xvi s GLY 233 Ca 0.03 0.51 0.13 0.00 0.00 0.00 0.00 44.72 45.38 1xvi s GLY 233 CO -0.07 0.90 0.90 1.04 0.00 0.00 0.00 173.10 175.87