#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s00 n GLN 4 N 0.00 0.05 -2.74 2.98 -0.06 -1.26 -4.99 117.38 111.36 1s00 n GLN 4 Ca 0.00 -0.00 -0.17 0.00 -2.00 0.00 0.00 57.00 54.83 1s00 n GLN 4 Cb 0.00 -1.51 0.02 0.00 -4.06 0.00 0.00 30.24 24.69 1s00 n GLN 4 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 1s00 n ASN 5 N -1.58 -5.04 -0.04 1.69 5.15 -1.26 -4.91 115.26 109.28 1s00 n ASN 5 Ca 0.04 -0.18 -0.21 0.00 -0.60 0.00 0.00 54.58 53.63 1s00 n ASN 5 Cb 0.35 -3.94 -0.13 0.00 -0.53 0.00 0.00 39.78 35.53 1s00 n ASN 5 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1s00 n ILE 6 N -4.19 1.69 -5.17 -1.44 2.08 -1.26 -4.88 119.36 106.19 1s00 n ILE 6 Ca -0.11 -0.52 -0.29 0.00 0.56 0.00 0.00 62.75 62.39 1s00 n ILE 6 Cb 0.60 -1.76 -0.16 0.00 -0.75 0.00 0.00 39.64 37.57 1s00 n ILE 6 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 1s00 s PHE 7 N -2.52 2.14 0.50 1.39 0.08 -1.26 -4.76 117.98 113.55 1s00 s PHE 7 Ca -0.26 -0.45 -0.23 0.00 0.12 0.00 0.00 56.93 56.11 1s00 s PHE 7 Cb 0.07 -1.39 -0.06 0.00 -0.57 0.00 0.00 43.02 41.07 1s00 s PHE 7 CO 0.70 -0.07 1.29 -1.12 -0.10 0.00 0.00 175.22 175.92 1s00 s SER 8 N -0.46 5.70 -0.07 1.36 0.01 0.34 -4.94 113.70 115.63 1s00 s SER 8 Ca 0.07 2.60 -0.24 0.00 1.31 0.00 0.00 55.95 59.69 1s00 s SER 8 Cb -0.10 -2.63 -0.29 0.00 0.21 0.00 0.00 66.02 63.21 1s00 s SER 8 CO -0.00 -1.26 0.87 1.56 0.41 0.00 0.00 173.24 174.82 1s00 h GLN 9 N 1.81 0.21 -4.50 12.44 4.20 -1.97 -3.46 115.11 123.84 1s00 h GLN 9 Ca -0.50 -0.35 -0.50 0.00 0.06 0.00 0.00 58.65 57.36 1s00 h GLN 9 Cb 1.28 0.13 -0.33 0.00 0.30 0.00 0.00 27.48 28.85 1s00 h GLN 9 CO 0.59 1.15 -0.81 0.54 -0.67 0.00 0.00 178.83 179.63 1s00 s VAL 10 N -2.43 1.07 -0.15 -0.54 0.11 -1.26 -5.12 120.40 112.08 1s00 s VAL 10 Ca -0.15 -0.44 -0.16 0.00 -2.93 0.00 0.00 61.98 58.29 1s00 s VAL 10 Cb -0.00 -0.99 -0.04 0.00 -1.53 0.00 0.00 36.38 33.82 1s00 s VAL 10 CO 0.79 0.34 0.40 -1.10 -3.33 0.00 0.00 175.10 172.19 1s00 s GLN 11 N 0.67 4.28 -0.05 1.54 -0.21 -1.26 -5.07 119.66 119.56 1s00 s GLN 11 Ca -0.14 0.27 0.03 0.00 0.02 0.00 0.00 55.36 55.54 1s00 s GLN 11 Cb -0.16 -3.45 -0.03 0.00 1.00 0.00 0.00 33.01 30.38 1s00 s GLN 11 CO 0.03 0.15 -0.13 0.54 -2.12 0.00 0.00 175.29 173.76 1s00 s VAL 12 N 0.70 3.14 -0.04 1.09 0.11 -1.26 -5.12 120.40 119.02 1s00 s VAL 12 Ca 0.21 -0.69 0.02 0.00 -2.93 0.00 0.00 61.98 58.59 1s00 s VAL 12 Cb -0.14 -2.24 0.01 0.00 -1.53 0.00 0.00 36.38 32.48 1s00 s VAL 12 CO 0.07 0.59 -0.08 -0.60 -3.33 0.00 0.00 175.10 171.75 1s00 s ARG 13 N -0.70 1.12 0.41 1.54 3.52 -1.26 -5.02 118.95 118.55 1s00 s ARG 13 Ca 0.11 -0.27 0.01 0.00 -0.13 0.00 0.00 55.73 55.45 1s00 s ARG 13 Cb -0.11 -1.01 0.01 0.00 -1.56 0.00 0.00 34.95 32.28 1s00 s ARG 13 CO 0.01 0.03 0.11 0.41 -0.81 0.00 0.00 175.30 175.04 1s00 n GLY 14 N 3.67 3.41 3.69 8.12 0.00 -1.26 -5.11 105.19 117.71 1s00 n GLY 14 Ca -0.22 -2.32 -0.34 0.00 0.00 0.00 0.00 46.02 43.14 1s00 n GLY 14 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1s00 n PRO 15 N -1.16 0.37 -1.61 1.61 -0.04 -1.26 -4.84 135.00 128.07 1s00 n PRO 15 Ca -0.12 0.20 -0.49 0.00 -0.04 0.00 0.00 63.50 63.06 1s00 n PRO 15 Cb 0.50 -2.43 -0.04 0.00 -0.04 0.00 0.00 33.50 31.48 1s00 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s00 n ALA 16 N -2.99 -0.12 -2.52 0.55 0.00 -1.26 -4.92 120.51 109.25 1s00 n ALA 16 Ca 0.14 0.47 -0.42 0.00 0.00 0.00 0.00 53.44 53.63 1s00 n ALA 16 Cb 0.50 -2.15 -0.08 0.00 0.00 0.00 0.00 19.45 17.72 1s00 n ALA 16 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1s00 s ASP 17 N 0.38 6.25 0.00 0.00 -1.08 -1.26 -4.92 116.67 116.04 1s00 s ASP 17 Ca 0.77 -0.38 0.28 0.00 -0.52 0.00 0.00 52.55 52.70 1s00 s ASP 17 Cb -0.82 -2.25 1.24 0.00 -1.46 0.00 0.00 42.92 39.63 1s00 s ASP 17 CO 0.47 -0.56 1.85 0.18 0.52 0.00 0.00 175.17 177.63 1s00 n LEU 18 N 5.74 1.07 -1.32 -1.34 4.77 -1.26 -4.66 117.00 120.00 1s00 n LEU 18 Ca -0.06 -0.37 0.16 0.00 -0.03 0.00 0.00 56.01 55.71 1s00 n LEU 18 Cb 0.48 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 1s00 n LEU 18 CO 0.47 0.19 -0.41 0.61 -1.33 0.00 0.00 177.39 176.91 1s00 n GLY 19 N 1.11 -2.31 3.58 -0.72 0.00 -1.26 -4.86 105.19 100.73 1s00 n GLY 19 Ca 0.20 -0.90 -0.48 0.00 0.00 0.00 0.00 46.02 44.84 1s00 n GLY 19 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1s00 n MET 20 N -4.00 1.25 0.00 1.61 2.81 -1.26 -4.97 117.12 112.56 1s00 n MET 20 Ca -0.04 0.44 0.00 0.00 -1.81 0.00 0.00 57.70 56.29 1s00 n MET 20 Cb 0.65 -1.91 0.00 0.00 -0.71 0.00 0.00 33.22 31.25 1s00 n MET 20 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1s00 n THR 21 N 1.21 0.00 -4.99 2.03 -1.04 -1.26 -4.94 114.28 105.29 1s00 n THR 21 Ca 0.14 0.40 0.00 0.00 -2.04 0.00 0.00 64.05 62.54 1s00 n THR 21 Cb 0.27 -1.25 0.00 0.00 -1.82 0.00 0.00 70.33 67.53 1s00 n THR 21 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1s00 n GLU 22 N -1.86 0.00 0.00 -2.82 4.07 -1.26 -1.96 120.64 116.81 1s00 n GLU 22 Ca 0.00 0.00 0.02 0.00 -0.06 0.00 0.00 57.16 57.12 1s00 n GLU 22 Cb 0.00 0.00 0.15 0.00 -0.06 0.00 0.00 31.44 31.53 1s00 n GLU 22 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1s00 n ASP 23 N -2.96 0.00 -4.74 4.31 8.00 -0.69 -4.82 116.55 115.66 1s00 n ASP 23 Ca 0.00 -1.09 -0.41 0.00 0.71 0.00 0.00 54.79 54.00 1s00 n ASP 23 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 1s00 n ASP 23 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1s00 s VAL 24 N -2.00 3.49 -0.73 2.53 1.01 -0.83 -4.89 120.40 118.97 1s00 s VAL 24 Ca 0.07 1.24 -0.26 0.00 0.00 0.00 0.00 61.98 63.03 1s00 s VAL 24 Cb 0.03 -3.79 0.04 0.00 0.00 0.00 0.00 36.38 32.66 1s00 s VAL 24 CO 0.06 0.19 1.24 0.21 0.00 0.00 0.00 175.10 176.80 1s00 s ASN 25 N 0.21 6.17 0.38 3.32 2.47 -1.26 -4.86 114.94 121.37 1s00 s ASN 25 Ca 0.54 -0.55 0.22 0.00 0.42 0.00 0.00 52.86 53.49 1s00 s ASN 25 Cb -0.34 -2.54 1.21 0.00 -1.45 0.00 0.00 41.25 38.13 1s00 s ASN 25 CO 0.37 -1.78 1.65 -0.07 -3.72 0.00 0.00 177.10 173.55 1s00 h LEU 26 N 12.79 0.00 -1.21 3.21 -0.00 -1.93 -1.53 115.31 126.64 1s00 h LEU 26 Ca -0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.60 1s00 h LEU 26 Cb 1.05 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.68 1s00 h LEU 26 CO 1.27 0.00 0.39 0.00 -0.00 0.00 0.00 178.44 180.10 1s00 h ALA 27 N 1.72 1.40 -0.01 1.53 0.00 -2.02 -2.16 119.26 119.72 1s00 h ALA 27 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1s00 h ALA 27 Cb 0.22 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1s00 h ALA 27 CO 0.00 0.50 -0.12 0.09 0.00 0.00 0.00 179.25 179.72 1s00 n ASN 28 N -4.38 0.69 -4.70 0.00 3.02 -0.57 -4.82 115.26 104.49 1s00 n ASN 28 Ca 0.07 -0.78 -0.40 0.00 -0.03 0.00 0.00 54.58 53.44 1s00 n ASN 28 Cb 0.09 -0.01 -0.05 0.00 -0.61 0.00 0.00 39.78 39.19 1s00 n ASN 28 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1s00 s ARG 29 N -2.40 4.37 0.34 3.52 6.06 -0.81 -1.22 118.95 128.81 1s00 s ARG 29 Ca 0.30 0.87 -0.06 0.00 -2.50 0.00 0.00 55.73 54.35 1s00 s ARG 29 Cb 0.20 -3.50 0.08 0.00 0.06 0.00 0.00 34.95 31.79 1s00 s ARG 29 CO 0.46 -0.08 0.44 -1.13 -2.50 0.00 0.00 175.30 172.48 1s00 n SER 30 N 4.35 -0.14 -4.95 -2.12 3.41 -0.37 -5.00 113.62 108.80 1s00 n SER 30 Ca 0.00 -1.11 -0.23 0.00 -0.26 0.00 0.00 58.87 57.27 1s00 n SER 30 Cb 0.50 -0.34 -0.01 0.00 -0.26 0.00 0.00 64.21 64.10 1s00 n SER 30 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1s00 s GLY 31 N -3.87 1.34 0.69 5.00 0.00 -1.26 -4.59 107.32 104.63 1s00 s GLY 31 Ca 0.25 -0.99 -0.16 0.00 0.00 0.00 0.00 44.72 43.82 1s00 s GLY 31 CO 0.18 -0.93 0.76 1.55 0.00 0.00 0.00 173.10 174.65 1s00 n VAL 32 N -1.74 2.48 -2.39 1.40 3.14 -1.26 -4.40 118.33 115.56 1s00 n VAL 32 Ca -0.05 -0.41 0.00 0.00 -2.96 0.00 0.00 64.34 60.92 1s00 n VAL 32 Cb 0.56 -0.93 0.00 0.00 -1.06 0.00 0.00 33.84 32.42 1s00 n VAL 32 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1s00 n GLY 33 N 1.40 2.76 3.55 7.55 0.00 0.27 -4.90 105.19 115.81 1s00 n GLY 33 Ca 0.12 -2.06 -0.29 0.00 0.00 0.00 0.00 46.02 43.79 1s00 n GLY 33 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1s00 s PRO 34 N 1.62 -0.91 -0.14 1.61 0.02 -1.26 -4.57 135.00 131.37 1s00 s PRO 34 Ca 0.00 0.38 0.01 0.00 0.02 0.00 0.00 61.00 61.42 1s00 s PRO 34 Cb 0.00 -1.59 -0.00 0.00 0.02 0.00 0.00 34.50 32.93 1s00 s PRO 34 CO 0.00 -3.60 -0.18 -0.06 -0.33 0.00 0.00 177.00 172.83 1s00 s PHE 35 N -2.74 2.72 -0.46 6.54 0.40 -1.26 -1.93 117.98 121.26 1s00 s PHE 35 Ca 0.68 -1.00 -0.16 0.00 -0.60 0.00 0.00 56.93 55.85 1s00 s PHE 35 Cb -0.17 -1.83 0.06 0.00 0.51 0.00 0.00 43.02 41.59 1s00 s PHE 35 CO 0.59 -0.43 0.39 0.45 0.70 0.00 0.00 175.22 176.93 1s00 s SER 36 N 0.61 6.15 0.22 1.36 0.15 0.28 -4.91 113.70 117.56 1s00 s SER 36 Ca -0.10 -1.21 -0.08 0.00 0.70 0.00 0.00 55.95 55.26 1s00 s SER 36 Cb -0.16 -2.19 0.27 0.00 -1.71 0.00 0.00 66.02 62.23 1s00 s SER 36 CO 0.03 -0.62 1.83 0.74 1.20 0.00 0.00 173.24 176.42 1s00 h THR 37 N 5.74 1.03 -0.06 6.45 2.02 -1.97 0.60 112.91 126.72 1s00 h THR 37 Ca -0.28 -0.29 0.04 0.00 0.77 0.00 0.00 66.41 66.65 1s00 h THR 37 Cb 1.11 0.11 -0.05 0.00 -1.74 0.00 0.00 68.15 67.58 1s00 h THR 37 CO 0.86 0.15 -0.30 0.25 0.37 0.00 0.00 175.52 176.85 1s00 h LEU 38 N 0.84 -0.92 -1.63 2.58 5.85 -1.97 0.65 115.31 120.71 1s00 h LEU 38 Ca 0.33 0.13 -0.03 0.00 0.84 0.00 0.00 57.88 59.15 1s00 h LEU 38 Cb 0.14 0.38 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1s00 h LEU 38 CO -0.16 -0.36 -0.04 -0.07 -0.34 0.00 0.00 178.44 177.47 1s00 h LEU 39 N -0.42 0.16 -1.60 2.25 3.38 -1.74 -2.89 115.31 114.45 1s00 h LEU 39 Ca 0.08 -0.02 0.19 0.00 0.09 0.00 0.00 57.88 58.22 1s00 h LEU 39 Cb 0.53 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 1s00 h LEU 39 CO -0.30 0.24 0.57 1.23 0.09 0.00 0.00 178.44 180.27 1s00 h GLY 40 N 0.48 0.69 2.00 0.83 0.00 0.15 0.18 103.07 107.41 1s00 h GLY 40 Ca 0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 1s00 h GLY 40 CO 0.01 0.01 -0.14 1.49 0.00 0.00 0.00 176.54 177.91 1s00 h TRP 41 N 0.34 0.00 0.00 5.60 4.06 -1.31 -3.33 115.95 121.32 1s00 h TRP 41 Ca 0.43 0.00 -0.27 0.00 2.06 0.00 0.00 58.89 61.11 1s00 h TRP 41 Cb 1.14 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.25 1s00 h TRP 41 CO -0.00 0.14 -2.03 0.34 -3.56 0.00 0.00 178.44 173.32 1s00 n PHE 42 N -3.45 0.00 -1.99 0.49 7.35 0.37 -0.51 117.46 119.73 1s00 n PHE 42 Ca -0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 1s00 n PHE 42 Cb 0.31 -0.70 0.00 0.00 0.35 0.00 0.00 39.48 39.44 1s00 n PHE 42 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1s00 n GLY 43 N 2.60 3.74 3.69 7.13 0.00 0.36 -4.91 105.19 117.81 1s00 n GLY 43 Ca -0.32 -0.86 -0.39 0.00 0.00 0.00 0.00 46.02 44.45 1s00 n GLY 43 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s00 n ASN 44 N 0.00 2.00 0.01 1.61 5.03 -1.26 -3.63 115.26 119.02 1s00 n ASN 44 Ca 0.00 0.94 0.11 0.00 0.87 0.00 0.00 54.58 56.50 1s00 n ASN 44 Cb 0.00 -1.50 0.04 0.00 -1.02 0.00 0.00 39.78 37.30 1s00 n ASN 44 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1s00 n ALA 45 N -1.14 3.78 -2.70 5.41 0.00 -1.26 -4.14 120.51 120.46 1s00 n ALA 45 Ca 0.11 -0.44 -0.42 0.00 0.00 0.00 0.00 53.44 52.69 1s00 n ALA 45 Cb 0.44 -0.95 -0.03 0.00 0.00 0.00 0.00 19.45 18.91 1s00 n ALA 45 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1s00 s GLN 46 N -3.10 4.54 -0.11 0.00 0.74 -1.26 0.10 119.66 120.57 1s00 s GLN 46 Ca 0.06 1.42 -0.01 0.00 0.05 0.00 0.00 55.36 56.88 1s00 s GLN 46 Cb 0.16 -3.47 -0.03 0.00 1.10 0.00 0.00 33.01 30.77 1s00 s GLN 46 CO 0.80 -0.10 -0.05 -0.51 -0.55 0.00 0.00 175.29 174.88 1s00 s LEU 47 N 1.18 3.23 0.00 3.68 1.43 -0.81 -4.95 118.68 122.43 1s00 s LEU 47 Ca 0.51 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.55 1s00 s LEU 47 Cb -0.21 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.28 1s00 s LEU 47 CO 0.26 0.28 0.00 0.61 0.23 0.00 0.00 176.35 177.73 1s00 n GLY 48 N 2.81 -1.55 3.81 -3.19 0.00 -1.26 0.97 105.19 106.78 1s00 n GLY 48 Ca -0.18 -1.54 -0.36 0.00 0.00 0.00 0.00 46.02 43.94 1s00 n GLY 48 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1s00 s PRO 49 N -1.64 4.26 -0.07 1.61 0.04 -1.26 -4.55 135.00 133.39 1s00 s PRO 49 Ca 0.00 0.88 -0.04 0.00 0.04 0.00 0.00 61.00 61.88 1s00 s PRO 49 Cb 0.00 -2.86 -0.04 0.00 0.04 0.00 0.00 34.50 31.64 1s00 s PRO 49 CO 0.00 0.38 0.14 -1.50 0.04 0.00 0.00 177.00 176.06 1s00 s ILE 50 N -1.54 5.31 -0.04 0.56 2.07 -1.26 -4.84 121.20 121.46 1s00 s ILE 50 Ca 0.44 -0.02 -0.17 0.00 -1.41 0.00 0.00 60.65 59.49 1s00 s ILE 50 Cb -0.16 -3.38 -0.05 0.00 0.13 0.00 0.00 42.46 38.99 1s00 s ILE 50 CO 0.21 0.49 0.45 -0.47 -1.91 0.00 0.00 174.94 173.71 1s00 s TYR 51 N -1.14 3.65 -0.39 3.50 6.14 -1.26 -1.24 117.35 126.61 1s00 s TYR 51 Ca 0.20 0.98 0.03 0.00 0.64 0.00 0.00 57.07 58.92 1s00 s TYR 51 Cb -0.12 -2.42 0.16 0.00 0.42 0.00 0.00 41.96 40.00 1s00 s TYR 51 CO 0.10 0.44 0.31 -0.51 0.64 0.00 0.00 175.55 176.54 1s00 s LEU 52 N -0.40 0.96 0.00 6.97 1.43 -0.36 -4.97 118.68 122.32 1s00 s LEU 52 Ca 0.25 -2.54 0.00 0.00 -1.03 0.00 0.00 54.13 50.81 1s00 s LEU 52 Cb -0.16 -0.21 0.00 0.00 0.03 0.00 0.00 46.19 45.84 1s00 s LEU 52 CO 0.13 -0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.09 1s00 n GLY 53 N 3.42 -0.44 0.18 -3.19 0.00 -1.26 -4.76 105.19 99.14 1s00 n GLY 53 Ca 0.21 -1.69 -0.09 0.00 0.00 0.00 0.00 46.02 44.45 1s00 n GLY 53 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1s00 h SER 54 N 0.00 0.47 -0.53 1.61 0.02 -1.99 -1.99 113.55 111.14 1s00 h SER 54 Ca 0.00 -0.29 -0.06 0.00 -0.84 0.00 0.00 61.79 60.60 1s00 h SER 54 Cb 0.00 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 1s00 h SER 54 CO 0.00 1.01 0.13 0.25 -1.14 0.00 0.00 176.83 177.09 1s00 h LEU 55 N 0.28 0.84 -0.21 5.07 5.85 -1.93 0.10 115.31 125.32 1s00 h LEU 55 Ca -0.02 -0.16 -0.17 0.00 0.84 0.00 0.00 57.88 58.37 1s00 h LEU 55 Cb 1.24 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.05 1s00 h LEU 55 CO 0.12 0.83 -0.53 1.23 -0.34 0.00 0.00 178.44 179.75 1s00 h GLY 56 N 1.00 0.79 1.64 3.75 0.00 -1.85 -0.85 103.07 107.55 1s00 h GLY 56 Ca 0.19 -0.99 -0.10 0.00 0.00 0.00 0.00 47.33 46.42 1s00 h GLY 56 CO 0.00 0.89 -0.31 -2.08 0.00 0.00 0.00 176.54 175.03 1s00 h VAL 57 N 0.44 1.28 0.38 4.60 2.07 -1.16 0.26 116.25 124.11 1s00 h VAL 57 Ca -0.01 -1.36 -0.02 0.00 0.82 0.00 0.00 66.70 66.14 1s00 h VAL 57 Cb 1.14 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1s00 h VAL 57 CO 0.11 0.42 -0.18 0.25 0.02 0.00 0.00 177.57 178.19 1s00 h LEU 58 N 0.36 -0.43 0.35 2.57 5.85 -0.67 -0.81 115.31 122.52 1s00 h LEU 58 Ca 0.05 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1s00 h LEU 58 Cb 0.73 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 1s00 h LEU 58 CO 0.06 -0.24 -0.27 -1.28 -0.34 0.00 0.00 178.44 176.37 1s00 h SER 59 N -0.61 -0.71 -0.83 1.25 0.87 -0.88 0.28 113.55 112.93 1s00 h SER 59 Ca -0.05 0.05 0.10 0.00 -1.23 0.00 0.00 61.79 60.66 1s00 h SER 59 Cb 0.45 0.23 -0.06 0.00 -0.44 0.00 0.00 62.40 62.58 1s00 h SER 59 CO 0.09 -0.41 0.54 0.25 -0.53 0.00 0.00 176.83 176.77 1s00 h LEU 60 N -0.63 0.70 0.20 2.23 7.12 -0.51 0.17 115.31 124.59 1s00 h LEU 60 Ca -0.03 0.02 -0.01 0.00 0.13 0.00 0.00 57.88 57.99 1s00 h LEU 60 Cb 0.54 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.55 1s00 h LEU 60 CO -0.01 0.41 -0.10 0.15 -0.13 0.00 0.00 178.44 178.77 1s00 h PHE 61 N 0.77 -0.25 -0.94 1.25 3.57 -0.73 -2.11 116.94 118.50 1s00 h PHE 61 Ca 0.39 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.88 1s00 h PHE 61 Cb 0.46 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.23 1s00 h PHE 61 CO -0.00 0.13 0.59 0.77 -2.23 0.00 0.00 178.31 177.57 1s00 h SER 62 N -0.69 1.11 0.24 0.41 0.02 -0.51 0.06 113.55 114.19 1s00 h SER 62 Ca -0.03 -0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 60.80 1s00 h SER 62 Cb 0.49 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1s00 h SER 62 CO 0.04 0.83 -0.31 1.23 -1.14 0.00 0.00 176.83 177.49 1s00 h GLY 63 N 1.29 0.13 1.47 -3.77 0.00 -0.70 0.28 103.07 101.77 1s00 h GLY 63 Ca 0.34 -0.10 -0.24 0.00 0.00 0.00 0.00 47.33 47.34 1s00 h GLY 63 CO -0.07 0.09 -0.98 1.41 0.00 0.00 0.00 176.54 176.99 1s00 h LEU 64 N 0.10 0.62 -0.51 3.11 3.38 -0.71 -2.31 115.31 119.00 1s00 h LEU 64 Ca 0.01 -0.50 -0.10 0.00 0.09 0.00 0.00 57.88 57.38 1s00 h LEU 64 Cb 0.60 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1s00 h LEU 64 CO 0.04 1.30 -0.09 0.24 0.09 0.00 0.00 178.44 180.03 1s00 h MET 65 N 0.26 0.96 0.35 1.13 2.86 -0.51 0.40 114.93 120.37 1s00 h MET 65 Ca -0.09 -0.35 -0.00 0.00 -2.06 0.00 0.00 59.70 57.19 1s00 h MET 65 Cb 1.62 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 33.20 1s00 h MET 65 CO 0.17 1.01 -0.29 2.35 1.06 0.00 0.00 176.91 181.22 1s00 h TRP 66 N 0.82 -0.77 -0.85 -0.22 7.01 -0.44 0.26 115.95 121.75 1s00 h TRP 66 Ca 0.13 0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.18 1s00 h TRP 66 Cb 0.64 0.29 -0.06 0.00 -2.10 0.00 0.00 29.16 27.94 1s00 h TRP 66 CO 0.05 -0.43 0.54 0.35 -2.79 0.00 0.00 178.44 176.16 1s00 h PHE 67 N -0.65 1.00 -0.54 2.65 3.57 -1.28 -2.76 116.94 118.94 1s00 h PHE 67 Ca -0.02 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 1s00 h PHE 67 Cb 0.57 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 1s00 h PHE 67 CO -0.15 0.53 -0.07 0.35 -2.23 0.00 0.00 178.31 176.74 1s00 h PHE 68 N 1.01 1.10 -0.45 0.41 3.57 0.31 -0.93 116.94 121.95 1s00 h PHE 68 Ca 0.36 -0.22 0.01 0.00 3.53 0.00 0.00 57.97 61.65 1s00 h PHE 68 Cb 0.11 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 1s00 h PHE 68 CO -0.03 1.02 0.29 1.15 -2.23 0.00 0.00 178.31 178.51 1s00 h THR 69 N 0.87 1.10 -0.31 4.41 2.02 -0.24 0.24 112.91 120.99 1s00 h THR 69 Ca 0.14 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 1s00 h THR 69 Cb 0.63 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 1s00 h THR 69 CO 0.04 0.11 0.19 0.40 0.37 0.00 0.00 175.52 176.63 1s00 h ILE 70 N 0.59 1.11 -0.50 3.11 2.04 -1.38 -2.11 117.51 120.37 1s00 h ILE 70 Ca 0.17 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1s00 h ILE 70 Cb -0.06 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 1s00 h ILE 70 CO -0.04 0.10 0.32 1.23 0.00 0.00 0.00 178.15 179.76 1s00 h GLY 71 N 0.41 0.72 0.98 5.37 0.00 -0.65 -0.55 103.07 109.34 1s00 h GLY 71 Ca 0.11 -0.28 0.06 0.00 0.00 0.00 0.00 47.33 47.22 1s00 h GLY 71 CO -0.02 0.28 0.52 1.19 0.00 0.00 0.00 176.54 178.51 1s00 h ILE 72 N 0.68 1.06 -0.01 2.60 6.09 -0.27 0.25 117.51 127.91 1s00 h ILE 72 Ca 0.18 -0.31 -0.00 0.00 -1.37 0.00 0.00 64.86 63.36 1s00 h ILE 72 Cb -0.05 0.09 -0.00 0.00 0.47 0.00 0.00 36.82 37.33 1s00 h ILE 72 CO -0.04 0.16 0.00 -0.25 -3.07 0.00 0.00 178.15 174.96 1s00 h TRP 73 N 0.89 0.02 -0.92 2.19 2.91 -0.70 -1.19 115.95 119.15 1s00 h TRP 73 Ca 0.34 -0.00 0.11 0.00 1.13 0.00 0.00 58.89 60.46 1s00 h TRP 73 Cb 0.20 -0.00 -0.08 0.00 -0.51 0.00 0.00 29.16 28.76 1s00 h TRP 73 CO -0.00 0.31 0.56 0.74 -1.03 0.00 0.00 178.44 179.01 1s00 h PHE 74 N -0.28 1.01 -0.43 2.65 -1.00 0.23 0.40 116.94 119.53 1s00 h PHE 74 Ca 0.00 0.03 -0.07 0.00 2.81 0.00 0.00 57.97 60.74 1s00 h PHE 74 Cb 0.30 -0.32 -0.02 0.00 3.61 0.00 0.00 35.95 39.53 1s00 h PHE 74 CO 0.03 0.41 -0.01 -1.49 -1.61 0.00 0.00 178.31 175.63 1s00 h TRP 75 N 0.91 0.83 -0.39 -0.55 4.06 -0.40 -0.06 115.95 120.36 1s00 h TRP 75 Ca 0.45 -0.15 0.00 0.00 2.06 0.00 0.00 58.89 61.25 1s00 h TRP 75 Cb 0.42 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 28.35 1s00 h TRP 75 CO -0.03 0.83 0.25 -0.92 -3.56 0.00 0.00 178.44 175.01 1s00 h TYR 76 N 0.60 0.49 0.00 0.49 3.20 0.08 -0.25 116.97 121.58 1s00 h TYR 76 Ca 0.12 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1s00 h TYR 76 Cb 0.51 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.61 1s00 h TYR 76 CO 0.04 0.32 0.00 1.96 -1.64 0.00 0.00 178.16 178.84 1s00 h GLN 77 N 0.52 0.00 -0.28 1.82 4.20 0.05 -2.28 115.11 119.14 1s00 h GLN 77 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1s00 h GLN 77 Cb -0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.74 1s00 h GLN 77 CO -0.03 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.13 1s00 n ALA 78 N -1.84 2.44 -1.33 3.87 0.00 -0.06 -4.92 120.51 118.68 1s00 n ALA 78 Ca -0.00 -0.88 -0.11 0.00 0.00 0.00 0.00 53.44 52.45 1s00 n ALA 78 Cb 0.14 -0.88 -0.05 0.00 0.00 0.00 0.00 19.45 18.66 1s00 n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s00 n GLY 79 N 1.44 1.24 2.53 0.00 0.00 -0.86 -1.92 105.19 107.62 1s00 n GLY 79 Ca 0.18 -0.47 -0.19 0.00 0.00 0.00 0.00 46.02 45.54 1s00 n GLY 79 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1s00 n TRP 80 N -2.65 -0.14 -3.34 1.61 7.02 -0.27 -4.94 117.44 114.72 1s00 n TRP 80 Ca -0.11 0.00 -0.44 0.00 -1.02 0.00 0.00 57.50 55.93 1s00 n TRP 80 Cb 0.38 -3.31 -0.08 0.00 -2.42 0.00 0.00 31.31 25.88 1s00 n TRP 80 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 1s00 s ASN 81 N -2.70 6.16 0.31 -0.99 3.84 -0.81 -4.96 114.94 115.80 1s00 s ASN 81 Ca 0.00 -1.08 0.07 0.00 0.21 0.00 0.00 52.86 52.06 1s00 s ASN 81 Cb 0.00 -2.21 0.83 0.00 -0.55 0.00 0.00 41.25 39.32 1s00 s ASN 81 CO 0.00 -0.66 1.68 -0.65 -2.79 0.00 0.00 177.10 174.68 1s00 h PRO 82 N 8.78 0.36 -0.85 0.43 0.11 -1.92 0.31 132.00 139.22 1s00 h PRO 82 Ca -0.28 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.79 1s00 h PRO 82 Cb 1.11 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.10 1s00 h PRO 82 CO 0.86 0.24 0.44 0.00 -0.21 0.00 0.00 178.00 179.33 1s00 h ALA 83 N 1.76 1.09 -0.06 -0.75 0.00 -1.95 -0.56 119.26 118.80 1s00 h ALA 83 Ca 0.61 -0.15 -0.21 0.00 0.00 0.00 0.00 54.91 55.17 1s00 h ALA 83 Cb 1.24 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1s00 h ALA 83 CO -0.56 0.63 -0.82 0.28 0.00 0.00 0.00 179.25 178.78 1s00 h VAL 84 N 1.20 1.37 -0.22 0.00 2.07 -0.95 -2.05 116.25 117.68 1s00 h VAL 84 Ca 0.30 -2.23 0.03 0.00 0.82 0.00 0.00 66.70 65.61 1s00 h VAL 84 Cb 0.07 2.21 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 1s00 h VAL 84 CO -0.04 0.67 0.05 0.15 0.02 0.00 0.00 177.57 178.42 1s00 h PHE 85 N 0.29 0.08 0.08 1.57 3.57 0.00 -0.75 116.94 121.79 1s00 h PHE 85 Ca -0.05 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 1s00 h PHE 85 Cb 1.42 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.16 1s00 h PHE 85 CO 0.06 0.03 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.05 1s00 h LEU 86 N 0.13 -0.09 -1.39 0.59 3.38 -1.12 -1.58 115.31 115.24 1s00 h LEU 86 Ca 0.10 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 1s00 h LEU 86 Cb 0.09 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1s00 h LEU 86 CO -0.13 0.30 -0.03 0.08 0.09 0.00 0.00 178.44 178.75 1s00 h ARG 87 N -0.50 0.37 -0.59 1.13 0.11 -1.31 -2.63 114.38 110.96 1s00 h ARG 87 Ca -0.01 -0.07 0.00 0.00 0.10 0.00 0.00 59.98 60.00 1s00 h ARG 87 Cb 0.43 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.45 1s00 h ARG 87 CO 0.02 0.42 0.00 -0.25 0.10 0.00 0.00 179.97 180.26 1s00 n ASP 88 N -4.31 4.29 -0.25 0.08 8.00 -0.29 -4.72 116.55 119.35 1s00 n ASP 88 Ca 0.00 -2.36 0.05 0.00 0.71 0.00 0.00 54.79 53.20 1s00 n ASP 88 Cb 0.23 -0.51 0.16 0.00 -0.02 0.00 0.00 41.12 40.98 1s00 n ASP 88 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1s00 h LEU 89 N 3.63 -0.18 -0.05 0.64 5.85 -0.89 0.68 115.31 125.00 1s00 h LEU 89 Ca 0.00 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1s00 h LEU 89 Cb 1.27 0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.57 1s00 h LEU 89 CO 0.16 -0.11 -0.00 0.49 -0.34 0.00 0.00 178.44 178.63 1s00 n PHE 90 N -5.26 0.00 -0.09 1.25 3.72 -1.26 -3.70 117.46 112.12 1s00 n PHE 90 Ca 0.13 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.44 1s00 n PHE 90 Cb 0.46 -0.05 -0.15 0.00 -0.94 0.00 0.00 39.48 38.81 1s00 n PHE 90 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1s00 n PHE 91 N -0.99 0.00 -1.46 1.38 3.01 0.19 -1.60 117.46 117.99 1s00 n PHE 91 Ca 0.22 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.33 1s00 n PHE 91 Cb 0.14 -0.92 0.09 0.00 -0.01 0.00 0.00 39.48 38.78 1s00 n PHE 91 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1s00 s PHE 92 N -2.45 1.95 -0.24 1.38 0.08 -0.92 -4.78 117.98 113.00 1s00 s PHE 92 Ca -0.11 1.57 -0.14 0.00 0.12 0.00 0.00 56.93 58.38 1s00 s PHE 92 Cb 0.06 -3.60 0.07 0.00 -0.57 0.00 0.00 43.02 38.98 1s00 s PHE 92 CO 0.75 -2.89 0.58 0.45 -0.10 0.00 0.00 175.22 174.01 1s00 s SER 93 N -1.75 -0.77 -0.53 1.36 0.15 -1.26 -4.38 113.70 106.53 1s00 s SER 93 Ca 0.78 1.27 -0.18 0.00 0.70 0.00 0.00 55.95 58.52 1s00 s SER 93 Cb -0.33 1.15 0.08 0.00 -1.71 0.00 0.00 66.02 65.21 1s00 s SER 93 CO 0.45 -0.22 0.58 -0.22 1.20 0.00 0.00 173.24 175.02 1s00 s LEU 94 N 1.47 5.40 0.30 3.45 0.20 0.86 -4.92 118.68 125.44 1s00 s LEU 94 Ca -0.09 -1.27 -0.15 0.00 0.69 0.00 0.00 54.13 53.31 1s00 s LEU 94 Cb -0.06 -2.31 -0.09 0.00 -0.43 0.00 0.00 46.19 43.30 1s00 s LEU 94 CO -0.16 -0.90 0.71 -1.61 -0.29 0.00 0.00 176.35 174.10 1s00 s GLU 95 N 2.28 4.00 0.90 1.98 0.41 -1.26 -1.11 118.70 125.90 1s00 s GLU 95 Ca 0.10 0.63 -0.12 0.00 -0.41 0.00 0.00 54.97 55.17 1s00 s GLU 95 Cb -0.23 -2.51 0.13 0.00 -1.78 0.00 0.00 34.13 29.74 1s00 s GLU 95 CO 0.08 0.20 1.11 -1.25 -0.49 0.00 0.00 175.26 174.91 1s00 s PRO 96 N -2.86 1.26 0.96 0.39 0.04 -1.26 -4.27 135.00 129.26 1s00 s PRO 96 Ca 0.52 0.56 -0.11 0.00 0.04 0.00 0.00 61.00 62.01 1s00 s PRO 96 Cb -0.11 -1.83 0.15 0.00 0.04 0.00 0.00 34.50 32.75 1s00 s PRO 96 CO 0.18 -2.17 1.00 -0.35 0.04 0.00 0.00 177.00 175.69 1s00 n PRO 97 N -3.80 -0.72 -1.41 0.56 -0.04 -1.26 -4.56 135.00 123.78 1s00 n PRO 97 Ca 0.06 -0.15 -0.31 0.00 -0.04 0.00 0.00 63.50 63.06 1s00 n PRO 97 Cb 0.57 -2.26 0.07 0.00 -0.04 0.00 0.00 33.50 31.84 1s00 n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s00 s ALA 98 N -2.57 2.42 0.38 0.55 0.00 -1.25 -2.97 121.76 118.32 1s00 s ALA 98 Ca 0.65 0.22 0.13 0.00 0.00 0.00 0.00 51.96 52.97 1s00 s ALA 98 Cb -0.23 -3.24 0.94 0.00 0.00 0.00 0.00 23.12 20.60 1s00 s ALA 98 CO 0.60 -1.54 1.83 -1.35 0.00 0.00 0.00 175.76 175.31 1s00 h PRO 99 N -0.90 0.54 -0.11 0.00 0.11 -1.93 -0.07 132.00 129.64 1s00 h PRO 99 Ca -0.44 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.67 1s00 h PRO 99 Cb 1.22 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1s00 h PRO 99 CO 0.53 0.36 0.15 0.93 -0.21 0.00 0.00 178.00 179.76 1s00 h GLU 100 N 0.56 0.00 -0.02 1.05 3.07 -1.98 0.26 114.58 117.51 1s00 h GLU 100 Ca 0.50 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.36 1s00 h GLU 100 Cb 1.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.94 1s00 h GLU 100 CO -0.24 0.00 0.00 0.66 -1.40 0.00 0.00 179.01 178.03 1s00 n TYR 101 N -3.68 0.02 -0.75 4.33 4.01 -0.04 -4.99 117.16 116.06 1s00 n TYR 101 Ca -0.00 -0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1s00 n TYR 101 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.28 1s00 n TYR 101 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1s00 n GLY 102 N 1.04 2.06 1.70 2.72 0.00 0.08 -0.26 105.19 112.53 1s00 n GLY 102 Ca 0.20 -0.20 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1s00 n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s00 n LEU 103 N 0.00 5.06 -4.80 0.99 4.77 -1.22 -2.11 117.00 119.69 1s00 n LEU 103 Ca 0.00 -2.59 -0.34 0.00 -0.03 0.00 0.00 56.01 53.05 1s00 n LEU 103 Cb 0.00 -0.67 -0.04 0.00 -2.33 0.00 0.00 43.42 40.38 1s00 n LEU 103 CO 0.00 0.61 0.71 -0.55 -1.33 0.00 0.00 177.39 176.83 1s00 s SER 104 N -0.67 6.43 -0.19 -1.43 0.15 0.65 -4.96 113.70 113.69 1s00 s SER 104 Ca 0.45 1.91 0.16 0.00 0.70 0.00 0.00 55.95 59.17 1s00 s SER 104 Cb 0.35 -2.56 0.71 0.00 -1.71 0.00 0.00 66.02 62.81 1s00 s SER 104 CO 0.12 -0.72 1.63 0.49 1.20 0.00 0.00 173.24 175.97 1s00 n PHE 105 N -0.87 1.62 0.79 3.44 3.72 -1.26 -4.43 117.46 120.48 1s00 n PHE 105 Ca 0.09 -0.73 0.13 0.00 -0.05 0.00 0.00 57.45 56.89 1s00 n PHE 105 Cb 0.52 -0.39 0.40 0.00 -0.94 0.00 0.00 39.48 39.08 1s00 n PHE 105 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1s00 n ALA 106 N 0.48 2.61 -1.61 4.37 0.00 -1.26 -4.92 120.51 120.18 1s00 n ALA 106 Ca 0.25 -0.14 -0.47 0.00 0.00 0.00 0.00 53.44 53.08 1s00 n ALA 106 Cb 1.03 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 19.08 1s00 n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s00 n ALA 107 N -1.66 -0.05 -1.24 0.00 0.00 -1.26 -4.93 120.51 111.36 1s00 n ALA 107 Ca 0.06 0.44 -0.32 0.00 0.00 0.00 0.00 53.44 53.62 1s00 n ALA 107 Cb 0.39 -2.12 0.09 0.00 0.00 0.00 0.00 19.45 17.81 1s00 n ALA 107 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1s00 s PRO 108 N -0.45 2.17 0.20 0.00 0.02 -1.26 -3.64 135.00 132.03 1s00 s PRO 108 Ca 0.71 1.38 -0.15 0.00 0.02 0.00 0.00 61.00 62.96 1s00 s PRO 108 Cb -0.77 -1.87 0.19 0.00 0.02 0.00 0.00 34.50 32.07 1s00 s PRO 108 CO 0.52 -1.74 1.64 -0.07 -0.33 0.00 0.00 177.00 177.01 1s00 h LEU 109 N -0.82 -0.55 0.00 -5.54 3.38 -1.91 0.57 115.31 110.43 1s00 h LEU 109 Ca -0.45 0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1s00 h LEU 109 Cb 1.25 0.36 0.00 0.00 0.09 0.00 0.00 40.66 42.36 1s00 h LEU 109 CO 0.50 -0.19 0.00 0.29 0.09 0.00 0.00 178.44 179.13 1s00 n LYS 110 N -5.40 0.15 -0.93 1.13 5.02 -1.26 -1.57 118.16 115.30 1s00 n LYS 110 Ca 0.06 0.08 -0.04 0.00 -2.02 0.00 0.00 58.31 56.39 1s00 n LYS 110 Cb 0.30 -1.50 0.17 0.00 -0.02 0.00 0.00 35.03 33.98 1s00 n LYS 110 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1s00 n GLU 111 N -1.41 2.02 0.00 1.97 1.02 -0.19 -4.90 120.64 119.16 1s00 n GLU 111 Ca 0.08 -3.40 0.00 0.00 -0.02 0.00 0.00 57.16 53.82 1s00 n GLU 111 Cb 0.24 -1.82 0.00 0.00 -0.02 0.00 0.00 31.44 29.84 1s00 n GLU 111 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s00 n GLY 112 N -1.06 1.62 0.08 0.62 0.00 -1.13 -3.91 105.19 101.42 1s00 n GLY 112 Ca 0.30 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.22 1s00 n GLY 112 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1s00 h GLY 113 N 0.00 0.12 0.75 -0.02 0.00 -0.91 0.70 103.07 103.71 1s00 h GLY 113 Ca 0.00 0.01 0.07 0.00 0.00 0.00 0.00 47.33 47.41 1s00 h GLY 113 CO 0.00 -0.02 0.64 -2.00 0.00 0.00 0.00 176.54 175.16 1s00 h LEU 114 N 0.05 1.01 -0.80 3.11 5.85 -1.50 0.57 115.31 123.60 1s00 h LEU 114 Ca 0.06 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 1s00 h LEU 114 Cb 0.06 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 1s00 h LEU 114 CO -0.09 0.64 -0.06 -0.25 -0.34 0.00 0.00 178.44 178.33 1s00 h TRP 115 N 1.14 0.92 -0.11 1.25 7.01 -1.62 -0.66 115.95 123.88 1s00 h TRP 115 Ca 0.43 -0.16 -0.08 0.00 2.11 0.00 0.00 58.89 61.19 1s00 h TRP 115 Cb 0.19 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.00 1s00 h TRP 115 CO -0.00 0.87 -0.29 -0.07 -2.79 0.00 0.00 178.44 176.16 1s00 h LEU 116 N 0.77 0.20 0.04 0.65 3.38 0.12 -0.06 115.31 120.40 1s00 h LEU 116 Ca 0.14 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1s00 h LEU 116 Cb 0.55 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1s00 h LEU 116 CO 0.03 0.49 -0.02 0.40 0.09 0.00 0.00 178.44 179.43 1s00 h ILE 117 N 0.18 1.36 -0.63 1.22 2.04 -0.59 -1.94 117.51 119.15 1s00 h ILE 117 Ca 0.03 -1.61 0.08 0.00 1.00 0.00 0.00 64.86 64.36 1s00 h ILE 117 Cb 0.61 2.38 -0.07 0.00 -0.74 0.00 0.00 36.82 39.00 1s00 h ILE 117 CO 0.04 0.39 0.28 0.00 0.00 0.00 0.00 178.15 178.86 1s00 h ALA 118 N 0.04 0.83 -0.83 1.87 0.00 -1.10 0.04 119.26 120.12 1s00 h ALA 118 Ca -0.01 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1s00 h ALA 118 Cb 0.68 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 1s00 h ALA 118 CO 0.01 -0.12 0.54 0.77 0.00 0.00 0.00 179.25 180.45 1s00 h SER 119 N 0.50 0.84 0.02 0.00 0.02 -1.02 -0.05 113.55 113.86 1s00 h SER 119 Ca 0.31 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1s00 h SER 119 Cb 0.32 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1s00 h SER 119 CO -0.26 0.56 -0.01 0.15 -1.14 0.00 0.00 176.83 176.13 1s00 h PHE 120 N 0.97 -0.02 -0.42 3.45 3.57 -0.21 0.91 116.94 125.19 1s00 h PHE 120 Ca 0.34 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.88 1s00 h PHE 120 Cb 0.12 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 1s00 h PHE 120 CO -0.00 0.22 0.20 0.74 -2.23 0.00 0.00 178.31 177.24 1s00 h PHE 121 N -0.26 0.37 -0.93 0.41 0.04 -0.83 0.03 116.94 115.77 1s00 h PHE 121 Ca -0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1s00 h PHE 121 Cb 0.25 -0.10 -0.05 0.00 2.20 0.00 0.00 35.95 38.25 1s00 h PHE 121 CO 0.01 0.18 0.59 1.98 -0.60 0.00 0.00 178.31 180.47 1s00 h MET 122 N 0.41 1.24 0.18 1.51 4.05 -0.90 0.75 114.93 122.17 1s00 h MET 122 Ca 0.18 -0.09 -0.00 0.00 -0.28 0.00 0.00 59.70 59.51 1s00 h MET 122 Cb 0.10 -0.27 -0.01 0.00 -0.80 0.00 0.00 31.60 30.63 1s00 h MET 122 CO -0.14 0.85 -0.12 0.35 0.23 0.00 0.00 176.91 178.07 1s00 h PHE 123 N 1.27 -0.32 0.33 1.39 3.57 0.11 0.60 116.94 123.89 1s00 h PHE 123 Ca 0.34 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.82 1s00 h PHE 123 Cb -0.10 0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.76 1s00 h PHE 123 CO 0.00 -0.19 -0.16 0.28 -2.23 0.00 0.00 178.31 176.01 1s00 h VAL 124 N -0.31 0.68 -0.50 1.41 2.07 -0.48 -1.70 116.25 117.43 1s00 h VAL 124 Ca -0.01 -0.02 0.10 0.00 0.82 0.00 0.00 66.70 67.59 1s00 h VAL 124 Cb 0.26 0.69 -0.09 0.00 -1.52 0.00 0.00 31.29 30.63 1s00 h VAL 124 CO 0.01 0.00 -0.10 0.00 0.02 0.00 0.00 177.57 177.50 1s00 h ALA 125 N 0.22 0.36 0.41 1.67 0.00 0.71 0.46 119.26 123.11 1s00 h ALA 125 Ca -0.05 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1s00 h ALA 125 Cb 0.34 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1s00 h ALA 125 CO 0.07 -0.43 -0.20 0.28 0.00 0.00 0.00 179.25 178.97 1s00 h VAL 126 N 0.02 0.54 -0.68 0.00 2.07 -0.81 -1.44 116.25 115.94 1s00 h VAL 126 Ca 0.25 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 1s00 h VAL 126 Cb 0.38 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1s00 h VAL 126 CO -0.50 0.07 0.30 -0.50 0.02 0.00 0.00 177.57 176.96 1s00 h TRP 127 N -0.83 1.02 -0.28 1.57 4.06 -1.14 0.26 115.95 120.60 1s00 h TRP 127 Ca -0.06 -0.07 -0.05 0.00 2.06 0.00 0.00 58.89 60.78 1s00 h TRP 127 Cb 0.55 -0.31 -0.02 0.00 -1.00 0.00 0.00 29.16 28.38 1s00 h TRP 127 CO 0.01 0.78 -0.05 0.66 -3.56 0.00 0.00 178.44 176.27 1s00 h SER 128 N 0.96 0.42 0.57 -3.49 4.64 -0.12 -1.09 113.55 115.45 1s00 h SER 128 Ca 0.23 -0.09 -0.13 0.00 -0.47 0.00 0.00 61.79 61.33 1s00 h SER 128 Cb 0.17 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 1s00 h SER 128 CO -0.02 0.53 -0.62 -0.25 -0.87 0.00 0.00 176.83 175.60 1s00 h TRP 129 N 0.43 0.06 -0.21 4.77 2.91 -0.46 -1.80 115.95 121.64 1s00 h TRP 129 Ca 0.09 -0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.05 1s00 h TRP 129 Cb 0.37 -0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 29.00 1s00 h TRP 129 CO 0.01 0.65 -0.01 2.35 -1.03 0.00 0.00 178.44 180.42 1s00 h TRP 130 N 0.03 0.42 -0.29 2.65 7.01 0.59 -1.60 115.95 124.76 1s00 h TRP 130 Ca -0.01 -0.07 -0.01 0.00 2.11 0.00 0.00 58.89 60.91 1s00 h TRP 130 Cb 1.10 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 28.04 1s00 h TRP 130 CO 0.00 0.57 0.13 0.78 -2.79 0.00 0.00 178.44 177.14 1s00 h GLY 131 N 0.14 0.43 0.97 2.65 0.00 -1.08 -1.95 103.07 104.23 1s00 h GLY 131 Ca 0.06 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 1s00 h GLY 131 CO 0.01 0.18 0.06 -0.09 0.00 0.00 0.00 176.54 176.70 1s00 h ARG 132 N 0.41 0.13 -0.99 4.80 2.43 -0.87 0.73 114.38 121.02 1s00 h ARG 132 Ca 0.10 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1s00 h ARG 132 Cb 0.07 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.54 1s00 h ARG 132 CO -0.01 0.12 0.66 1.79 -1.51 0.00 0.00 179.97 181.01 1s00 h THR 133 N 0.10 1.25 -0.07 0.20 1.35 -0.58 -0.17 112.91 115.00 1s00 h THR 133 Ca 0.03 -0.46 -0.01 0.00 -0.55 0.00 0.00 66.41 65.43 1s00 h THR 133 Cb 0.02 -0.21 -0.00 0.00 -1.73 0.00 0.00 68.15 66.23 1s00 h THR 133 CO -0.01 0.25 0.02 0.22 -0.25 0.00 0.00 175.52 175.75 1s00 h TYR 134 N 1.34 0.11 -0.36 4.73 3.20 -0.95 -2.75 116.97 122.29 1s00 h TYR 134 Ca 0.37 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.18 1s00 h TYR 134 Cb -0.15 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 1s00 h TYR 134 CO -0.00 0.26 0.06 -0.07 -1.64 0.00 0.00 178.16 176.77 1s00 h LEU 135 N -0.07 0.57 -1.49 2.82 3.38 -0.56 -0.97 115.31 118.99 1s00 h LEU 135 Ca 0.02 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 57.78 1s00 h LEU 135 Cb 0.20 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1s00 h LEU 135 CO -0.00 0.69 0.40 0.03 0.09 0.00 0.00 178.44 179.64 1s00 h ARG 136 N 0.44 0.63 -0.10 1.13 -0.00 -1.07 0.34 114.38 115.74 1s00 h ARG 136 Ca 0.11 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.98 59.49 1s00 h ARG 136 Cb 0.36 -0.14 -0.00 0.00 0.00 0.00 0.00 29.97 30.19 1s00 h ARG 136 CO 0.01 0.41 -0.17 0.00 0.00 0.00 0.00 179.97 180.22 1s00 h ALA 137 N 1.66 0.16 -0.62 0.04 0.00 -1.25 -3.04 119.26 116.21 1s00 h ALA 137 Ca 0.25 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1s00 h ALA 137 Cb 0.18 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1s00 h ALA 137 CO -0.07 0.07 0.40 0.37 0.00 0.00 0.00 179.25 180.02 1s00 h GLN 138 N -0.14 0.77 -0.59 0.00 4.15 -0.00 0.29 115.11 119.59 1s00 h GLN 138 Ca 0.01 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.40 1s00 h GLN 138 Cb 0.74 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.23 1s00 h GLN 138 CO 0.04 0.51 0.39 0.00 -1.93 0.00 0.00 178.83 177.84 1s00 h ALA 139 N 1.25 1.62 -0.45 3.38 0.00 -0.41 0.43 119.26 125.09 1s00 h ALA 139 Ca 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1s00 h ALA 139 Cb -0.04 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1s00 h ALA 139 CO -0.08 0.34 0.00 1.28 0.00 0.00 0.00 179.25 180.79 1s00 n LEU 140 N -4.45 2.72 -2.41 0.00 4.77 -0.89 -1.70 117.00 115.04 1s00 n LEU 140 Ca 0.06 -1.36 -0.20 0.00 -0.03 0.00 0.00 56.01 54.47 1s00 n LEU 140 Cb 0.08 -0.36 -0.01 0.00 -2.33 0.00 0.00 43.42 40.80 1s00 n LEU 140 CO 0.35 0.60 -0.26 0.61 -1.33 0.00 0.00 177.39 177.36 1s00 n GLY 141 N 1.09 -0.50 3.98 -0.72 0.00 0.14 -4.97 105.19 104.21 1s00 n GLY 141 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 1s00 n GLY 141 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1s00 s MET 142 N -5.05 2.52 0.89 1.61 1.00 0.95 -4.98 119.30 116.23 1s00 s MET 142 Ca 0.00 -0.88 -0.12 0.00 0.00 0.00 0.00 55.69 54.70 1s00 s MET 142 Cb -0.00 -2.51 0.12 0.00 0.00 0.00 0.00 34.83 32.44 1s00 s MET 142 CO 0.00 -0.71 1.09 0.20 0.00 0.00 0.00 175.02 175.60 1s00 s GLY 143 N -4.44 1.62 -0.31 -0.03 0.00 -1.26 -4.47 107.32 98.42 1s00 s GLY 143 Ca 0.58 -0.09 0.10 0.00 0.00 0.00 0.00 44.72 45.31 1s00 s GLY 143 CO 0.38 0.40 1.78 0.28 0.00 0.00 0.00 173.10 175.94 1s00 n LYS 144 N -3.84 3.82 -0.30 2.90 4.76 -1.26 -4.60 118.16 119.63 1s00 n LYS 144 Ca 0.07 -3.00 0.09 0.00 -2.87 0.00 0.00 58.31 52.60 1s00 n LYS 144 Cb 0.55 -2.21 0.31 0.00 -1.84 0.00 0.00 35.03 31.84 1s00 n LYS 144 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1s00 h HIS 145 N 2.77 0.97 -0.33 2.13 3.86 -1.99 -0.69 115.15 121.88 1s00 h HIS 145 Ca 0.23 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.40 1s00 h HIS 145 Cb 2.27 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 30.42 1s00 h HIS 145 CO 1.25 0.40 -0.07 1.15 0.86 0.00 0.00 177.93 181.51 1s00 h THR 146 N 0.86 1.28 -0.11 2.45 2.02 -1.95 -0.36 112.91 117.09 1s00 h THR 146 Ca 0.45 -1.11 0.02 0.00 0.77 0.00 0.00 66.41 66.55 1s00 h THR 146 Cb 0.54 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 68.26 1s00 h THR 146 CO -0.22 0.36 -0.01 0.00 0.37 0.00 0.00 175.52 176.02 1s00 h ALA 147 N 0.81 0.09 0.46 6.16 0.00 -1.57 0.25 119.26 125.46 1s00 h ALA 147 Ca 0.08 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1s00 h ALA 147 Cb 0.56 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1s00 h ALA 147 CO 0.03 -0.47 -0.22 -1.49 0.00 0.00 0.00 179.25 177.10 1s00 h TRP 148 N 0.02 -0.58 -0.85 0.00 -0.00 -1.12 -2.49 115.95 110.94 1s00 h TRP 148 Ca 0.05 -0.01 0.19 0.00 -0.00 0.00 0.00 58.89 59.12 1s00 h TRP 148 Cb 0.07 0.19 -0.06 0.00 -0.00 0.00 0.00 29.16 29.36 1s00 h TRP 148 CO -0.14 -0.30 0.57 0.00 -0.00 0.00 0.00 178.44 178.56 1s00 h ALA 149 N -0.25 2.22 -0.09 1.49 0.00 -0.96 0.18 119.26 121.84 1s00 h ALA 149 Ca -0.06 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1s00 h ALA 149 Cb 0.53 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1s00 h ALA 149 CO 0.10 -0.48 -0.28 0.35 0.00 0.00 0.00 179.25 178.94 1s00 h PHE 150 N 0.38 0.19 -0.16 0.00 3.57 -0.53 -2.56 116.94 117.83 1s00 h PHE 150 Ca 0.43 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.86 1s00 h PHE 150 Cb 1.11 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 1s00 h PHE 150 CO -0.00 0.45 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.37 1s00 h LEU 151 N 0.16 0.22 -0.89 0.59 3.38 -0.21 -1.01 115.31 117.54 1s00 h LEU 151 Ca 0.02 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1s00 h LEU 151 Cb 0.59 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 1s00 h LEU 151 CO 0.04 0.34 0.58 -1.28 0.09 0.00 0.00 178.44 178.22 1s00 h SER 152 N 0.23 1.03 -0.17 -0.43 0.87 -1.40 1.54 113.55 115.22 1s00 h SER 152 Ca 0.05 -0.04 -0.16 0.00 -1.23 0.00 0.00 61.79 60.41 1s00 h SER 152 Cb 0.30 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1s00 h SER 152 CO 0.02 0.76 -0.52 0.00 -0.53 0.00 0.00 176.83 176.55 1s00 h ALA 153 N 1.32 0.29 -0.26 6.23 0.00 -1.54 -2.81 119.26 122.48 1s00 h ALA 153 Ca 0.32 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1s00 h ALA 153 Cb -0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1s00 h ALA 153 CO -0.07 0.48 0.18 0.82 0.00 0.00 0.00 179.25 180.66 1s00 h ILE 154 N 0.32 1.07 0.71 0.00 2.04 -0.35 -0.27 117.51 121.04 1s00 h ILE 154 Ca -0.02 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 1s00 h ILE 154 Cb 1.14 0.68 0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1s00 h ILE 154 CO 0.11 0.06 -0.34 -0.25 0.00 0.00 0.00 178.15 177.73 1s00 h TRP 155 N 0.36 -0.89 -0.54 1.37 2.91 0.24 0.62 115.95 120.02 1s00 h TRP 155 Ca 0.10 -0.02 0.07 0.00 1.13 0.00 0.00 58.89 60.17 1s00 h TRP 155 Cb -0.04 0.29 -0.06 0.00 -0.51 0.00 0.00 29.16 28.84 1s00 h TRP 155 CO -0.00 -0.53 0.20 1.25 -1.03 0.00 0.00 178.44 178.33 1s00 h LEU 156 N -1.06 0.21 -0.34 0.65 6.46 -1.24 0.87 115.31 120.86 1s00 h LEU 156 Ca -0.10 0.06 0.07 0.00 -0.12 0.00 0.00 57.88 57.79 1s00 h LEU 156 Cb 0.76 0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 40.66 1s00 h LEU 156 CO 0.16 0.14 -0.08 -0.25 -0.62 0.00 0.00 178.44 177.79 1s00 h TRP 157 N 0.39 -0.17 -0.14 1.25 7.01 -0.75 -0.26 115.95 123.28 1s00 h TRP 157 Ca 0.26 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.28 1s00 h TRP 157 Cb 0.28 0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.47 1s00 h TRP 157 CO -0.16 -0.14 0.05 0.52 -2.79 0.00 0.00 178.44 175.91 1s00 h MET 158 N 0.00 0.21 0.29 2.65 2.86 0.11 -2.57 114.93 118.48 1s00 h MET 158 Ca 0.16 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1s00 h MET 158 Cb 0.25 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.84 1s00 h MET 158 CO -0.35 0.33 -0.52 0.28 1.06 0.00 0.00 176.91 177.71 1s00 h VAL 159 N 0.05 0.00 -0.41 -2.22 2.07 -0.51 0.40 116.25 115.63 1s00 h VAL 159 Ca 0.04 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.63 1s00 h VAL 159 Cb 0.20 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.89 1s00 h VAL 159 CO -0.00 0.00 -0.49 -0.07 0.02 0.00 0.00 177.57 177.03 1s00 h LEU 160 N -0.87 -1.63 -1.96 2.57 3.38 -0.99 -1.17 115.31 114.65 1s00 h LEU 160 Ca -0.03 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1s00 h LEU 160 Cb 0.81 0.69 0.00 0.00 0.09 0.00 0.00 40.66 42.25 1s00 h LEU 160 CO -0.19 -0.39 0.00 0.61 0.09 0.00 0.00 178.44 178.56 1s00 n GLY 161 N -1.40 0.97 1.48 0.83 0.00 -0.98 -4.32 105.19 101.76 1s00 n GLY 161 Ca -0.02 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1s00 n GLY 161 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1s00 n PHE 162 N 1.20 0.00 0.17 1.61 -0.00 0.12 -4.81 117.46 115.76 1s00 n PHE 162 Ca 0.14 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.48 1s00 n PHE 162 Cb 0.53 0.30 -0.06 0.00 -0.00 0.00 0.00 39.48 40.25 1s00 n PHE 162 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 1s00 h ILE 163 N 0.00 0.00 -0.68 -2.13 2.04 -0.89 -0.18 117.51 115.66 1s00 h ILE 163 Ca 0.00 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.97 1s00 h ILE 163 Cb 0.00 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.00 1s00 h ILE 163 CO 0.00 0.00 0.29 -0.09 0.00 0.00 0.00 178.15 178.35 1s00 h ARG 164 N -0.59 0.47 -0.68 2.37 2.43 -1.41 0.15 114.38 117.12 1s00 h ARG 164 Ca -0.04 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1s00 h ARG 164 Cb 0.51 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 1s00 h ARG 164 CO -0.04 0.31 0.38 -1.35 -1.51 0.00 0.00 179.97 177.76 1s00 h PRO 165 N 0.48 0.94 -0.49 0.20 0.11 -1.66 0.44 132.00 132.02 1s00 h PRO 165 Ca 0.35 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 66.36 1s00 h PRO 165 Cb 0.44 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.34 1s00 h PRO 165 CO -0.32 0.70 0.32 0.82 -0.21 0.00 0.00 178.00 179.31 1s00 h ILE 166 N 0.93 1.13 -0.05 4.15 2.04 0.34 0.35 117.51 126.41 1s00 h ILE 166 Ca 0.24 -0.25 -0.10 0.00 1.00 0.00 0.00 64.86 65.75 1s00 h ILE 166 Cb 0.02 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1s00 h ILE 166 CO -0.04 0.13 -0.43 -0.07 0.00 0.00 0.00 178.15 177.74 1s00 h LEU 167 N 0.67 0.12 -0.04 1.44 3.38 -0.39 -1.85 115.31 118.63 1s00 h LEU 167 Ca 0.18 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1s00 h LEU 167 Cb -0.06 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1s00 h LEU 167 CO -0.04 0.54 0.00 0.23 0.09 0.00 0.00 178.44 179.26 1s00 n MET 168 N -4.02 0.20 -0.67 1.13 2.81 0.15 -4.94 117.12 111.77 1s00 n MET 168 Ca -0.02 0.18 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 1s00 n MET 168 Cb 0.47 -1.74 0.00 0.00 -0.71 0.00 0.00 33.22 31.25 1s00 n MET 168 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1s00 n GLY 169 N 1.26 0.66 3.57 3.03 0.00 0.12 -5.05 105.19 108.77 1s00 n GLY 169 Ca 0.06 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1s00 n GLY 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s00 s SER 170 N -2.05 -0.56 0.48 1.61 1.04 -0.71 -3.42 113.70 110.09 1s00 s SER 170 Ca 0.00 0.78 0.30 0.00 0.48 0.00 0.00 55.95 57.51 1s00 s SER 170 Cb 0.00 0.68 1.09 0.00 0.10 0.00 0.00 66.02 67.90 1s00 s SER 170 CO 0.00 -0.40 1.87 -0.50 0.98 0.00 0.00 173.24 175.19 1s00 h TRP 171 N 3.40 0.00 0.00 5.02 4.06 -1.69 -2.96 115.95 123.78 1s00 h TRP 171 Ca -0.25 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.70 1s00 h TRP 171 Cb 1.16 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.32 1s00 h TRP 171 CO 0.35 0.00 0.29 0.66 -3.56 0.00 0.00 178.44 176.17 1s00 h SER 172 N 0.00 0.00 1.22 -3.49 4.64 -1.77 0.18 113.55 114.33 1s00 h SER 172 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 1s00 h SER 172 Cb 0.60 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.67 1s00 h SER 172 CO 0.00 0.00 -0.64 -0.33 -0.87 0.00 0.00 176.83 174.99 1s00 h GLU 173 N 0.00 0.00 -7.20 4.77 4.39 -1.82 -3.47 114.58 111.25 1s00 h GLU 173 Ca 0.00 0.00 -0.45 0.00 0.34 0.00 0.00 59.36 59.25 1s00 h GLU 173 Cb 0.57 0.00 0.20 0.00 -0.10 0.00 0.00 28.75 29.42 1s00 h GLU 173 CO 0.00 0.64 0.07 0.00 -1.16 0.00 0.00 179.01 178.57 1s00 s ALA 174 N -3.00 0.02 0.09 3.43 0.00 0.64 -4.93 121.76 118.02 1s00 s ALA 174 Ca 0.02 -0.07 -0.27 0.00 0.00 0.00 0.00 51.96 51.64 1s00 s ALA 174 Cb 0.09 -3.25 -0.06 0.00 0.00 0.00 0.00 23.12 19.90 1s00 s ALA 174 CO 0.76 -3.53 0.84 0.08 0.00 0.00 0.00 175.76 173.92 1s00 s VAL 175 N -2.57 4.58 0.46 0.00 1.01 -1.26 -4.82 120.40 117.80 1s00 s VAL 175 Ca 0.68 1.82 -0.21 0.00 0.00 0.00 0.00 61.98 64.27 1s00 s VAL 175 Cb -0.24 -4.20 -0.09 0.00 0.00 0.00 0.00 36.38 31.85 1s00 s VAL 175 CO 0.63 0.37 1.01 -2.16 0.00 0.00 0.00 175.10 174.94 1s00 s PRO 176 N -0.22 3.97 -0.60 2.72 0.04 -1.26 -4.79 135.00 134.86 1s00 s PRO 176 Ca 0.41 1.28 -0.23 0.00 0.04 0.00 0.00 61.00 62.50 1s00 s PRO 176 Cb -0.22 -2.14 0.05 0.00 0.04 0.00 0.00 34.50 32.23 1s00 s PRO 176 CO 0.26 -0.28 0.95 0.71 0.04 0.00 0.00 177.00 178.69 1s00 s TYR 177 N -2.04 2.73 -0.28 0.56 2.02 -0.27 -4.28 117.35 115.80 1s00 s TYR 177 Ca 0.65 -0.25 -0.26 0.00 -0.37 0.00 0.00 57.07 56.83 1s00 s TYR 177 Cb -0.14 -4.16 0.17 0.00 -0.40 0.00 0.00 41.96 37.43 1s00 s TYR 177 CO 0.18 -1.49 1.29 0.20 -1.57 0.00 0.00 175.55 174.16 1s00 s GLY 178 N 3.21 0.12 0.00 0.71 0.00 -1.26 -0.10 107.32 110.00 1s00 s GLY 178 Ca 0.27 3.04 0.00 0.00 0.00 0.00 0.00 44.72 48.02 1s00 s GLY 178 CO 0.15 1.64 0.92 1.39 0.00 0.00 0.00 173.10 177.20 1s00 n ILE 179 N 1.39 0.00 0.03 0.90 2.08 -1.26 -1.95 119.36 120.54 1s00 n ILE 179 Ca -0.09 1.42 -0.05 0.00 0.56 0.00 0.00 62.75 64.59 1s00 n ILE 179 Cb 0.57 -2.41 0.15 0.00 -0.75 0.00 0.00 39.64 37.20 1s00 n ILE 179 CO 0.00 0.00 0.00 -0.26 0.56 0.00 0.00 176.55 176.85 1s00 h PHE 180 N 0.00 0.53 -0.77 1.39 0.04 -1.62 -3.22 116.94 113.30 1s00 h PHE 180 Ca 0.00 -0.15 -0.02 0.00 2.80 0.00 0.00 57.97 60.61 1s00 h PHE 180 Cb 0.00 -0.12 -0.04 0.00 2.20 0.00 0.00 35.95 38.00 1s00 h PHE 180 CO 0.17 0.78 0.41 0.66 -0.60 0.00 0.00 178.31 179.73 1s00 h SER 181 N 0.37 0.96 1.27 2.17 4.64 -1.75 -1.10 113.55 120.11 1s00 h SER 181 Ca 0.04 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1s00 h SER 181 Cb 0.85 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1s00 h SER 181 CO 0.07 0.78 0.00 1.12 -0.87 0.00 0.00 176.83 177.93 1s00 h HIS 182 N 1.07 0.00 -0.01 4.77 2.07 -1.40 -1.02 115.15 120.63 1s00 h HIS 182 Ca 0.27 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.64 1s00 h HIS 182 Cb 0.04 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.03 1s00 h HIS 182 CO 0.01 0.00 -0.56 -0.07 -3.07 0.00 0.00 177.93 174.24 1s00 h LEU 183 N 0.00 0.52 -0.96 6.12 3.38 -1.26 -2.67 115.31 120.44 1s00 h LEU 183 Ca 0.00 -0.74 0.03 0.00 0.09 0.00 0.00 57.88 57.26 1s00 h LEU 183 Cb 0.64 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 1s00 h LEU 183 CO 0.00 1.19 0.63 0.44 0.09 0.00 0.00 178.44 180.79 1s00 h ASP 184 N -0.10 1.06 -0.81 -0.43 3.32 -0.92 -1.29 116.42 117.24 1s00 h ASP 184 Ca -0.07 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.00 1s00 h ASP 184 Cb 1.27 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 40.52 1s00 h ASP 184 CO 0.11 0.74 0.52 -0.25 -1.72 0.00 0.00 179.24 178.64 1s00 h TRP 185 N 1.24 0.99 -0.07 4.55 7.01 -1.16 0.24 115.95 128.74 1s00 h TRP 185 Ca 0.38 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.40 1s00 h TRP 185 Cb -0.03 -0.33 -0.00 0.00 -2.10 0.00 0.00 29.16 26.70 1s00 h TRP 185 CO -0.01 0.58 0.03 1.15 -2.79 0.00 0.00 178.44 177.41 1s00 h THR 186 N 1.04 1.12 -0.54 2.65 2.02 -0.99 0.14 112.91 118.36 1s00 h THR 186 Ca 0.32 -0.36 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 1s00 h THR 186 Cb -0.03 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 1s00 h THR 186 CO -0.10 0.10 0.22 -1.13 0.37 0.00 0.00 175.52 174.99 1s00 h ASN 187 N -0.02 0.74 -0.35 4.18 -1.24 -0.91 -2.35 115.58 115.62 1s00 h ASN 187 Ca 0.03 -0.16 -0.01 0.00 0.71 0.00 0.00 56.30 56.86 1s00 h ASN 187 Cb 0.14 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 38.98 1s00 h ASN 187 CO -0.00 0.70 0.19 -1.13 -1.29 0.00 0.00 177.43 175.90 1s00 h ASN 188 N 0.73 0.44 -0.54 1.15 -1.24 -0.37 -1.03 115.58 114.72 1s00 h ASN 188 Ca 0.18 -0.09 0.10 0.00 0.71 0.00 0.00 56.30 57.20 1s00 h ASN 188 Cb 0.19 -0.11 -0.09 0.00 0.73 0.00 0.00 38.32 39.04 1s00 h ASN 188 CO -0.02 0.41 0.04 0.15 -1.29 0.00 0.00 177.43 176.72 1s00 h PHE 189 N 0.45 0.04 0.54 0.67 3.04 -0.34 0.50 116.94 121.84 1s00 h PHE 189 Ca 0.12 0.04 -0.03 0.00 3.98 0.00 0.00 57.97 62.09 1s00 h PHE 189 Cb 0.06 0.07 0.01 0.00 2.56 0.00 0.00 35.95 38.64 1s00 h PHE 189 CO -0.03 -0.09 -0.26 1.03 -2.02 0.00 0.00 178.31 176.94 1s00 h SER 190 N 0.16 -0.61 -0.67 0.41 0.87 -1.07 -1.26 113.55 111.38 1s00 h SER 190 Ca 0.28 0.01 0.13 0.00 -1.23 0.00 0.00 61.79 60.98 1s00 h SER 190 Cb 0.42 0.16 -0.09 0.00 -0.44 0.00 0.00 62.40 62.44 1s00 h SER 190 CO -0.42 -0.42 0.17 -0.07 -0.53 0.00 0.00 176.83 175.55 1s00 h LEU 191 N -0.75 0.05 -1.40 2.23 4.07 -0.20 -1.13 115.31 118.18 1s00 h LEU 191 Ca -0.07 0.12 -0.05 0.00 0.08 0.00 0.00 57.88 57.96 1s00 h LEU 191 Cb 0.56 0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.45 1s00 h LEU 191 CO 0.12 0.01 -0.22 0.58 -1.08 0.00 0.00 178.44 177.85 1s00 h VAL 192 N 0.29 0.67 -0.52 1.22 2.07 0.17 -3.18 116.25 116.96 1s00 h VAL 192 Ca 0.36 -0.98 -0.21 0.00 0.82 0.00 0.00 66.70 66.69 1s00 h VAL 192 Cb 0.56 1.63 -0.13 0.00 -1.52 0.00 0.00 31.29 31.83 1s00 h VAL 192 CO -0.44 0.22 0.14 1.41 0.02 0.00 0.00 177.57 178.92 1s00 n HIS 193 N -3.56 1.68 -2.72 1.57 8.25 -0.49 -4.83 115.22 115.11 1s00 n HIS 193 Ca -0.01 -1.43 -0.10 0.00 -0.26 0.00 0.00 57.72 55.92 1s00 n HIS 193 Cb 0.37 -0.58 0.05 0.00 1.12 0.00 0.00 29.99 30.95 1s00 n HIS 193 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1s00 n GLY 194 N -0.83 -0.26 2.46 -1.41 0.00 -1.06 -0.85 105.19 103.25 1s00 n GLY 194 Ca 0.37 0.11 -0.02 0.00 0.00 0.00 0.00 46.02 46.48 1s00 n GLY 194 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1s00 n ASN 195 N -2.48 -5.76 0.00 1.61 4.05 -0.84 -2.98 115.26 108.86 1s00 n ASN 195 Ca -0.10 1.66 0.02 0.00 0.45 0.00 0.00 54.58 56.61 1s00 n ASN 195 Cb 0.59 -5.19 0.10 0.00 1.23 0.00 0.00 39.78 36.51 1s00 n ASN 195 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 1s00 n LEU 196 N 1.82 0.00 0.21 1.20 7.94 -1.26 -2.05 117.00 124.86 1s00 n LEU 196 Ca -0.17 0.49 0.15 0.00 -1.11 0.00 0.00 56.01 55.36 1s00 n LEU 196 Cb 0.27 -0.49 0.66 0.00 0.53 0.00 0.00 43.42 44.39 1s00 n LEU 196 CO 0.16 -0.41 0.94 -0.26 -1.11 0.00 0.00 177.39 176.71 1s00 h PHE 197 N 0.00 0.00 -0.01 1.96 0.04 -1.95 -1.31 116.94 115.66 1s00 h PHE 197 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1s00 h PHE 197 Cb 0.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.23 1s00 h PHE 197 CO 0.00 0.00 -0.17 0.66 -0.60 0.00 0.00 178.31 178.20 1s00 n TYR 198 N -2.63 0.00 -2.67 -0.55 4.01 -0.87 -4.71 117.16 109.74 1s00 n TYR 198 Ca 0.01 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.32 1s00 n TYR 198 Cb 0.21 -0.06 -0.03 0.00 -0.31 0.00 0.00 39.34 39.16 1s00 n TYR 198 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1s00 s ASN 199 N -2.28 6.54 0.25 7.72 3.84 -0.50 -4.70 114.94 125.82 1s00 s ASN 199 Ca 0.29 0.25 -0.03 0.00 0.21 0.00 0.00 52.86 53.57 1s00 s ASN 199 Cb 0.20 -2.52 0.51 0.00 -0.55 0.00 0.00 41.25 38.89 1s00 s ASN 199 CO 0.44 -1.24 1.69 1.55 -2.79 0.00 0.00 177.10 176.76 1s00 h PRO 200 N 9.25 0.31 0.00 0.43 0.13 -1.86 0.11 132.00 140.37 1s00 h PRO 200 Ca -0.24 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.84 1s00 h PRO 200 Cb 1.06 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 1s00 h PRO 200 CO 1.11 0.20 -0.17 0.74 -0.23 0.00 0.00 178.00 179.65 1s00 h PHE 201 N 0.32 0.00 -0.20 1.56 0.04 -1.90 -0.48 116.94 116.28 1s00 h PHE 201 Ca 0.44 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 61.08 1s00 h PHE 201 Cb 0.76 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.91 1s00 h PHE 201 CO -0.23 0.17 -0.39 1.25 -0.60 0.00 0.00 178.31 178.51 1s00 h HIS 202 N 0.00 0.78 -0.60 -0.55 2.76 -1.12 -1.15 115.15 115.27 1s00 h HIS 202 Ca -0.00 -0.28 0.07 0.00 -2.20 0.00 0.00 60.37 57.96 1s00 h HIS 202 Cb 0.32 -0.15 -0.04 0.00 1.55 0.00 0.00 27.41 29.09 1s00 h HIS 202 CO 0.00 1.04 0.40 0.78 -1.30 0.00 0.00 177.93 178.85 1s00 h GLY 203 N 0.30 0.68 0.35 5.26 0.00 -0.02 -1.36 103.07 108.28 1s00 h GLY 203 Ca 0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 1s00 h GLY 203 CO 0.09 0.15 -0.04 1.41 0.00 0.00 0.00 176.54 178.15 1s00 h LEU 204 N 0.53 -0.09 -1.06 3.11 3.38 -0.93 -2.51 115.31 117.73 1s00 h LEU 204 Ca 0.27 -0.50 0.29 0.00 0.09 0.00 0.00 57.88 58.02 1s00 h LEU 204 Cb 0.37 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 41.01 1s00 h LEU 204 CO -0.08 0.51 0.61 -1.28 0.09 0.00 0.00 178.44 178.29 1s00 h SER 205 N -0.76 0.57 -0.33 -0.43 0.87 -0.72 1.12 113.55 113.87 1s00 h SER 205 Ca -0.01 0.15 -0.13 0.00 -1.23 0.00 0.00 61.79 60.57 1s00 h SER 205 Cb 0.59 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 1s00 h SER 205 CO 0.02 -0.00 -0.27 0.40 -0.53 0.00 0.00 176.83 176.44 1s00 h ILE 206 N 0.44 1.27 -0.75 2.23 2.04 -1.23 0.16 117.51 121.68 1s00 h ILE 206 Ca 0.68 -1.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 1s00 h ILE 206 Cb 1.49 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 38.79 1s00 h ILE 206 CO -0.50 0.47 0.38 0.00 0.00 0.00 0.00 178.15 178.50 1s00 h ALA 207 N 0.97 1.27 0.00 1.87 0.00 0.16 0.20 119.26 123.73 1s00 h ALA 207 Ca 0.09 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 1s00 h ALA 207 Cb 0.82 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1s00 h ALA 207 CO 0.07 0.58 -0.74 0.74 0.00 0.00 0.00 179.25 179.90 1s00 h PHE 208 N 1.05 0.00 -0.05 0.00 0.04 -0.24 0.18 116.94 117.92 1s00 h PHE 208 Ca 0.26 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.94 1s00 h PHE 208 Cb 0.07 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.22 1s00 h PHE 208 CO 0.01 0.67 -0.33 1.25 -0.60 0.00 0.00 178.31 179.31 1s00 h LEU 209 N 0.00 0.37 -0.25 1.54 5.85 -0.32 -0.49 115.31 122.00 1s00 h LEU 209 Ca -0.02 -0.68 -0.03 0.00 0.84 0.00 0.00 57.88 57.98 1s00 h LEU 209 Cb 1.53 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.44 1s00 h LEU 209 CO 0.08 0.99 0.04 1.88 -0.34 0.00 0.00 178.44 181.10 1s00 h TYR 210 N -0.23 0.45 -0.31 1.25 0.05 -1.04 -2.68 116.97 114.46 1s00 h TYR 210 Ca -0.03 -0.06 0.09 0.00 0.05 0.00 0.00 58.73 58.78 1s00 h TYR 210 Cb 1.00 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 38.61 1s00 h TYR 210 CO 0.14 0.54 0.26 0.78 -1.05 0.00 0.00 178.16 178.82 1s00 h GLY 211 N 0.23 0.00 1.66 3.88 0.00 -0.60 0.78 103.07 109.02 1s00 h GLY 211 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.20 1s00 h GLY 211 CO 0.01 0.00 -0.87 1.76 0.00 0.00 0.00 176.54 177.44 1s00 h SER 212 N 0.00 0.39 1.81 0.19 0.02 -0.75 0.38 113.55 115.60 1s00 h SER 212 Ca 0.15 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1s00 h SER 212 Cb 0.66 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1s00 h SER 212 CO -0.00 1.09 0.00 0.00 -1.14 0.00 0.00 176.83 176.78 1s00 h ALA 213 N 0.89 1.00 0.00 3.77 0.00 -0.87 0.89 119.26 124.94 1s00 h ALA 213 Ca -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1s00 h ALA 213 Cb 1.49 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1s00 h ALA 213 CO 0.14 0.00 -0.37 1.25 0.00 0.00 0.00 179.25 180.27 1s00 h LEU 214 N 0.00 0.01 -0.31 0.00 5.85 -0.70 -2.97 115.31 117.20 1s00 h LEU 214 Ca 0.00 -0.87 -0.08 0.00 0.84 0.00 0.00 57.88 57.77 1s00 h LEU 214 Cb 0.90 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 1s00 h LEU 214 CO 0.00 1.15 -0.13 0.25 -0.34 0.00 0.00 178.44 179.37 1s00 h LEU 215 N -0.98 0.65 -0.99 2.25 5.85 -0.22 0.62 115.31 122.49 1s00 h LEU 215 Ca -0.10 -0.40 -0.08 0.00 0.84 0.00 0.00 57.88 58.15 1s00 h LEU 215 Cb 1.10 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 1s00 h LEU 215 CO -0.05 0.90 -0.36 0.15 -0.34 0.00 0.00 178.44 178.74 1s00 h PHE 216 N 0.39 0.00 -0.13 1.25 3.57 -0.99 0.64 116.94 121.67 1s00 h PHE 216 Ca 0.07 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.43 1s00 h PHE 216 Cb 0.65 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.39 1s00 h PHE 216 CO 0.06 0.36 -0.47 0.00 -2.23 0.00 0.00 178.31 176.03 1s00 h ALA 217 N 1.64 0.23 0.75 2.41 0.00 -1.37 0.33 119.26 123.26 1s00 h ALA 217 Ca -0.00 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 1s00 h ALA 217 Cb 0.86 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.64 1s00 h ALA 217 CO 0.05 0.38 -0.36 0.52 0.00 0.00 0.00 179.25 179.84 1s00 h MET 218 N 0.16 -0.97 -0.35 0.00 2.86 -0.41 -1.87 114.93 114.34 1s00 h MET 218 Ca -0.02 0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.69 1s00 h MET 218 Cb 1.10 0.22 -0.02 0.00 0.06 0.00 0.00 31.60 32.96 1s00 h MET 218 CO 0.10 -0.65 0.23 1.25 1.06 0.00 0.00 176.91 178.90 1s00 h HIS 219 N -1.07 0.42 0.62 -0.22 -0.00 0.19 0.35 115.15 115.45 1s00 h HIS 219 Ca -0.10 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.25 1s00 h HIS 219 Cb 0.77 -0.14 0.01 0.00 -0.00 0.00 0.00 27.41 28.05 1s00 h HIS 219 CO 0.04 0.26 -0.30 0.78 -0.00 0.00 0.00 177.93 178.72 1s00 h GLY 220 N 0.46 -0.87 1.04 5.26 0.00 -0.24 -2.35 103.07 106.37 1s00 h GLY 220 Ca 0.13 0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.75 1s00 h GLY 220 CO -0.03 -0.32 0.35 0.00 0.00 0.00 0.00 176.54 176.55 1s00 h ALA 221 N -0.55 1.03 0.06 3.60 0.00 -1.04 -1.67 119.26 120.69 1s00 h ALA 221 Ca -0.08 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.68 1s00 h ALA 221 Cb 0.66 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1s00 h ALA 221 CO 0.14 0.62 -0.31 1.15 0.00 0.00 0.00 179.25 180.85 1s00 h THR 222 N 1.14 0.32 -0.50 0.00 2.02 -0.87 0.47 112.91 115.49 1s00 h THR 222 Ca 0.27 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.43 1s00 h THR 222 Cb 0.17 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 1s00 h THR 222 CO -0.03 0.00 0.26 0.40 0.37 0.00 0.00 175.52 176.52 1s00 h ILE 223 N -0.50 1.18 0.00 3.11 1.08 -1.27 -0.07 117.51 121.04 1s00 h ILE 223 Ca 0.05 -0.49 -0.02 0.00 -0.39 0.00 0.00 64.86 64.00 1s00 h ILE 223 Cb 0.56 0.60 -0.00 0.00 -3.07 0.00 0.00 36.82 34.90 1s00 h ILE 223 CO -0.23 0.20 -0.10 -0.07 -0.69 0.00 0.00 178.15 177.27 1s00 h LEU 224 N 0.66 0.00 0.00 1.44 3.38 -0.83 0.19 115.31 120.14 1s00 h LEU 224 Ca 0.17 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.96 1s00 h LEU 224 Cb 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1s00 h LEU 224 CO -0.02 0.10 -0.97 0.00 0.09 0.00 0.00 178.44 177.63 1s00 h ALA 225 N 1.90 0.55 -0.42 1.53 0.00 0.80 -3.28 119.26 120.35 1s00 h ALA 225 Ca -0.00 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1s00 h ALA 225 Cb 0.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1s00 h ALA 225 CO 0.01 1.04 0.00 1.33 0.00 0.00 0.00 179.25 181.63 1s00 n VAL 226 N -3.21 1.95 0.54 0.00 0.24 -0.12 -4.42 118.33 113.31 1s00 n VAL 226 Ca -0.03 -1.46 0.13 0.00 -2.04 0.00 0.00 64.34 60.94 1s00 n VAL 226 Cb 0.87 0.01 0.45 0.00 -1.47 0.00 0.00 33.84 33.69 1s00 n VAL 226 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1s00 n SER 227 N 0.28 0.72 0.00 -1.34 3.41 0.59 -1.57 113.62 115.70 1s00 n SER 227 Ca 0.21 0.61 0.07 0.00 -0.26 0.00 0.00 58.87 59.50 1s00 n SER 227 Cb 0.83 -0.79 0.30 0.00 -0.26 0.00 0.00 64.21 64.30 1s00 n SER 227 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1s00 n ARG 228 N -2.22 0.04 -0.07 4.33 1.85 -1.26 -0.78 116.66 118.54 1s00 n ARG 228 Ca 0.04 0.24 0.08 0.00 -1.00 0.00 0.00 57.85 57.22 1s00 n ARG 228 Cb 0.34 -1.50 0.12 0.00 -1.05 0.00 0.00 32.46 30.37 1s00 n ARG 228 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1s00 n PHE 229 N -1.46 0.04 -2.93 2.89 3.72 -0.83 -4.96 117.46 113.94 1s00 n PHE 229 Ca 0.04 -0.90 -0.14 0.00 -0.05 0.00 0.00 57.45 56.40 1s00 n PHE 229 Cb 0.15 -0.14 0.03 0.00 -0.94 0.00 0.00 39.48 38.59 1s00 n PHE 229 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1s00 n GLY 230 N -1.22 0.02 0.25 1.37 0.00 0.04 -4.49 105.19 101.16 1s00 n GLY 230 Ca 0.13 -0.18 0.02 0.00 0.00 0.00 0.00 46.02 45.99 1s00 n GLY 230 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1s00 h GLY 231 N -1.21 0.34 1.08 -0.02 0.00 -1.42 -2.67 103.07 99.16 1s00 h GLY 231 Ca -0.33 -0.21 0.09 0.00 0.00 0.00 0.00 47.33 46.89 1s00 h GLY 231 CO 0.34 0.19 0.39 0.83 0.00 0.00 0.00 176.54 178.29 1s00 h GLU 232 N 0.30 0.38 -4.93 4.80 3.07 -1.82 -3.24 114.58 113.14 1s00 h GLU 232 Ca 0.06 -0.02 -0.51 0.00 -0.50 0.00 0.00 59.36 58.39 1s00 h GLU 232 Cb 0.36 -0.09 0.01 0.00 -0.84 0.00 0.00 28.75 28.19 1s00 h GLU 232 CO 0.02 0.25 1.75 0.00 -1.40 0.00 0.00 179.01 179.63 1s00 h GLU 234 N 8.72 0.95 -0.49 0.00 5.08 -1.84 -1.81 114.58 125.20 1s00 h GLU 234 Ca 0.33 -0.45 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 1s00 h GLU 234 Cb 0.79 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1s00 h GLU 234 CO 1.64 1.11 0.03 -0.07 -1.00 0.00 0.00 179.01 180.72 1s00 h LEU 235 N 0.78 0.76 0.11 1.33 3.38 -1.93 0.60 115.31 120.35 1s00 h LEU 235 Ca 0.09 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1s00 h LEU 235 Cb 0.87 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1s00 h LEU 235 CO 0.08 0.81 -0.05 -0.08 0.09 0.00 0.00 178.44 179.29 1s00 h GLU 236 N 0.75 -0.14 -0.47 1.13 4.81 -1.91 -0.87 114.58 117.88 1s00 h GLU 236 Ca 0.15 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 1s00 h GLU 236 Cb 0.42 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 1s00 h GLU 236 CO 0.01 -0.04 0.12 1.96 -0.73 0.00 0.00 179.01 180.34 1s00 h GLN 237 N -0.21 0.69 -0.10 1.92 1.08 -1.03 0.18 115.11 117.64 1s00 h GLN 237 Ca -0.02 -0.12 -0.02 0.00 -1.45 0.00 0.00 58.65 57.04 1s00 h GLN 237 Cb 0.17 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.48 1s00 h GLN 237 CO 0.03 0.62 -0.01 0.82 -0.95 0.00 0.00 178.83 179.34 1s00 h ILE 238 N 0.68 1.27 -0.44 2.54 2.04 -0.60 0.24 117.51 123.22 1s00 h ILE 238 Ca 0.16 -0.85 -0.04 0.00 1.00 0.00 0.00 64.86 65.12 1s00 h ILE 238 Cb 0.23 1.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 1s00 h ILE 238 CO -0.01 0.24 0.12 0.00 0.00 0.00 0.00 178.15 178.50 1s00 h ALA 239 N 0.72 0.59 -2.40 1.87 0.00 -0.90 -3.39 119.26 115.75 1s00 h ALA 239 Ca 0.03 -0.19 -0.55 0.00 0.00 0.00 0.00 54.91 54.19 1s00 h ALA 239 Cb 0.38 -0.17 -0.37 0.00 0.00 0.00 0.00 17.79 17.63 1s00 h ALA 239 CO 0.01 0.26 -0.87 0.34 0.00 0.00 0.00 179.25 178.99 1s00 s ASP 240 N -6.05 2.12 0.15 0.00 2.15 0.60 -5.10 116.67 110.54 1s00 s ASP 240 Ca -0.13 -2.42 -0.33 0.00 0.43 0.00 0.00 52.55 50.10 1s00 s ASP 240 Cb 0.11 -0.25 -0.17 0.00 -0.30 0.00 0.00 42.92 42.31 1s00 s ASP 240 CO 0.78 -0.25 0.99 -1.14 -0.17 0.00 0.00 175.17 175.38 1s00 n ARG 241 N 3.62 0.68 -4.60 4.34 0.63 0.07 -4.35 116.66 117.05 1s00 n ARG 241 Ca 0.18 0.24 -0.28 0.00 -0.92 0.00 0.00 57.85 57.07 1s00 n ARG 241 Cb 0.42 -1.62 -0.08 0.00 0.45 0.00 0.00 32.46 31.63 1s00 n ARG 241 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1s00 s GLY 242 N -0.27 2.72 0.59 5.14 0.00 -1.26 -5.02 107.32 109.22 1s00 s GLY 242 Ca 0.74 -1.03 0.29 0.00 0.00 0.00 0.00 44.72 44.72 1s00 s GLY 242 CO 0.55 -1.96 1.99 0.00 0.00 0.00 0.00 173.10 173.68 1s00 h THR 243 N 1.66 0.41 0.10 0.90 1.03 -1.94 -1.25 112.91 113.82 1s00 h THR 243 Ca -0.39 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.01 1s00 h THR 243 Cb 1.28 0.72 0.00 0.00 -1.07 0.00 0.00 68.15 69.08 1s00 h THR 243 CO 0.64 0.00 -0.05 0.00 -0.01 0.00 0.00 175.52 176.10 1s00 h ALA 244 N 1.60 -0.13 -0.74 0.00 0.00 -1.87 -0.18 119.26 117.94 1s00 h ALA 244 Ca 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1s00 h ALA 244 Cb 0.86 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1s00 h ALA 244 CO -0.00 -0.45 0.41 0.00 0.00 0.00 0.00 179.25 179.21 1s00 h ALA 245 N 0.48 0.94 -0.35 0.00 0.00 -1.62 -0.96 119.26 117.76 1s00 h ALA 245 Ca -0.01 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1s00 h ALA 245 Cb 0.33 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1s00 h ALA 245 CO 0.02 0.45 -0.04 0.93 0.00 0.00 0.00 179.25 180.61 1s00 h GLU 246 N 1.02 0.65 -0.38 0.00 5.08 -1.32 -0.73 114.58 118.89 1s00 h GLU 246 Ca 0.26 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1s00 h GLU 246 Cb 0.02 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1s00 h GLU 246 CO -0.04 0.79 0.13 0.00 -1.00 0.00 0.00 179.01 178.88 1s00 h ARG 247 N 0.45 0.59 -0.03 2.33 3.08 -0.86 0.30 114.38 120.24 1s00 h ARG 247 Ca 0.09 -0.12 0.02 0.00 0.07 0.00 0.00 59.98 60.05 1s00 h ARG 247 Cb 0.52 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 1s00 h ARG 247 CO 0.03 0.59 -0.12 0.00 -1.07 0.00 0.00 179.97 179.39 1s00 h ALA 248 N 0.97 -0.12 -0.06 0.04 0.00 -1.12 0.44 119.26 119.41 1s00 h ALA 248 Ca 0.12 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1s00 h ALA 248 Cb 0.24 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1s00 h ALA 248 CO -0.01 -0.61 -0.22 0.00 0.00 0.00 0.00 179.25 178.42 1s00 h ALA 249 N 0.79 -0.24 0.00 0.00 0.00 -0.84 -2.22 119.26 116.74 1s00 h ALA 249 Ca 0.05 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1s00 h ALA 249 Cb 0.27 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1s00 h ALA 249 CO -0.14 -0.70 -0.22 -0.07 0.00 0.00 0.00 179.25 178.12 1s00 h LEU 250 N -0.32 0.00 -1.07 0.00 3.38 -0.53 -1.42 115.31 115.35 1s00 h LEU 250 Ca 0.08 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1s00 h LEU 250 Cb 0.43 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 1s00 h LEU 250 CO -0.24 0.22 0.62 0.15 0.09 0.00 0.00 178.44 179.28 1s00 h PHE 251 N 0.00 1.18 0.18 1.13 3.57 0.50 0.18 116.94 123.69 1s00 h PHE 251 Ca -0.00 0.03 -0.33 0.00 3.53 0.00 0.00 57.97 61.20 1s00 h PHE 251 Cb 0.43 -0.40 0.01 0.00 2.79 0.00 0.00 35.95 38.78 1s00 h PHE 251 CO 0.00 0.75 -1.56 -1.49 -2.23 0.00 0.00 178.31 173.78 1s00 h TRP 252 N 1.27 0.71 -0.33 0.41 4.06 -1.29 -2.75 115.95 118.02 1s00 h TRP 252 Ca 0.34 -0.52 0.01 0.00 2.06 0.00 0.00 58.89 60.79 1s00 h TRP 252 Cb -0.14 -0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 27.97 1s00 h TRP 252 CO 0.00 1.52 0.21 -0.09 -3.56 0.00 0.00 178.44 176.52 1s00 h ARG 253 N 0.11 0.41 0.00 0.49 2.43 -1.02 0.82 114.38 117.62 1s00 h ARG 253 Ca -0.27 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 1s00 h ARG 253 Cb 2.09 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.55 1s00 h ARG 253 CO 0.21 0.27 0.00 0.91 -1.51 0.00 0.00 179.97 179.85 1s00 n TRP 254 N -4.88 0.04 -0.11 2.20 8.01 0.04 -0.67 117.44 122.06 1s00 n TRP 254 Ca -0.01 0.02 -0.19 0.00 -1.31 0.00 0.00 57.50 56.01 1s00 n TRP 254 Cb 0.04 -0.52 -0.06 0.00 -2.01 0.00 0.00 31.31 28.75 1s00 n TRP 254 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.69 179.09 1s00 n THR 255 N -1.54 1.47 -0.19 -0.99 -1.04 0.14 -4.79 114.28 107.34 1s00 n THR 255 Ca 0.03 -0.11 0.03 0.00 -2.04 0.00 0.00 64.05 61.96 1s00 n THR 255 Cb 0.17 -2.08 0.06 0.00 -1.82 0.00 0.00 70.33 66.67 1s00 n THR 255 CO 0.00 0.00 0.00 1.15 -0.64 0.00 0.00 175.07 175.58 1s00 n MET 256 N -4.29 2.80 0.00 -2.82 0.00 0.26 -5.02 117.12 108.06 1s00 n MET 256 Ca -0.33 -1.80 0.00 0.00 0.00 0.00 0.00 57.70 55.57 1s00 n MET 256 Cb 0.68 -1.15 0.00 0.00 0.00 0.00 0.00 33.22 32.75 1s00 n MET 256 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1s00 n GLY 257 N -0.32 2.75 3.43 3.17 0.00 0.15 -4.98 105.19 109.39 1s00 n GLY 257 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 1s00 n GLY 257 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1s00 s PHE 258 N -2.14 1.03 0.19 1.61 -0.71 -1.26 -4.85 117.98 111.84 1s00 s PHE 258 Ca 0.00 -1.24 -0.07 0.00 -1.04 0.00 0.00 56.93 54.58 1s00 s PHE 258 Cb 0.00 -0.20 0.03 0.00 -1.21 0.00 0.00 43.02 41.64 1s00 s PHE 258 CO 0.00 -0.98 0.38 0.27 -1.34 0.00 0.00 175.22 173.56 1s00 n ASN 259 N -0.99 -1.09 -1.29 1.98 6.94 -1.26 -2.60 115.26 116.94 1s00 n ASN 259 Ca 0.01 -1.75 0.00 0.00 -0.02 0.00 0.00 54.58 52.82 1s00 n ASN 259 Cb 0.63 1.82 0.00 0.00 -2.36 0.00 0.00 39.78 39.86 1s00 n ASN 259 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1s00 n ALA 260 N -1.84 0.00 -2.48 -2.53 0.00 -1.26 -5.05 120.51 107.35 1s00 n ALA 260 Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.10 1s00 n ALA 260 Cb 0.28 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.63 1s00 n ALA 260 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1s00 s THR 261 N -0.54 2.66 0.49 0.00 -4.23 -1.26 -4.77 115.64 108.00 1s00 s THR 261 Ca 0.00 -1.99 0.33 0.00 -1.18 0.00 0.00 61.69 58.86 1s00 s THR 261 Cb 0.00 -2.32 0.53 0.00 1.34 0.00 0.00 72.50 72.06 1s00 s THR 261 CO 0.00 -0.17 1.73 -0.03 -0.54 0.00 0.00 174.62 175.60 1s00 h MET 262 N 2.90 0.10 0.00 3.99 4.05 -1.91 -1.04 114.93 123.02 1s00 h MET 262 Ca -0.45 -0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 58.90 1s00 h MET 262 Cb 1.22 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.99 1s00 h MET 262 CO 0.52 0.07 -0.58 1.49 0.23 0.00 0.00 176.91 178.64 1s00 h GLU 263 N 0.11 0.00 -0.94 0.39 4.81 -1.95 -3.39 114.58 113.61 1s00 h GLU 263 Ca 0.68 0.00 0.28 0.00 -0.13 0.00 0.00 59.36 60.19 1s00 h GLU 263 Cb 2.39 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 31.60 1s00 h GLU 263 CO -0.15 0.36 0.22 0.78 -0.73 0.00 0.00 179.01 179.49 1s00 h GLY 264 N -1.00 1.49 0.08 1.92 0.00 -1.76 0.45 103.07 104.25 1s00 h GLY 264 Ca -0.09 0.01 0.26 0.00 0.00 0.00 0.00 47.33 47.50 1s00 h GLY 264 CO -0.06 -0.50 0.66 1.19 0.00 0.00 0.00 176.54 177.84 1s00 h ILE 265 N 0.10 0.56 0.00 2.60 6.09 -1.41 0.75 117.51 126.20 1s00 h ILE 265 Ca 0.62 -0.07 -0.02 0.00 -1.37 0.00 0.00 64.86 64.02 1s00 h ILE 265 Cb 1.36 0.34 -0.00 0.00 0.47 0.00 0.00 36.82 38.98 1s00 h ILE 265 CO -0.77 0.04 -0.10 0.45 -3.07 0.00 0.00 178.15 174.70 1s00 h HIS 266 N 0.21 0.00 0.00 2.19 3.86 -0.29 0.59 115.15 121.71 1s00 h HIS 266 Ca 0.49 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.52 1s00 h HIS 266 Cb 1.58 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 30.02 1s00 h HIS 266 CO -0.00 0.10 -0.89 0.00 0.86 0.00 0.00 177.93 178.00 1s00 h ARG 267 N 0.00 0.00 -0.16 2.45 3.08 0.49 -0.41 114.38 119.83 1s00 h ARG 267 Ca -0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 1s00 h ARG 267 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.05 1s00 h ARG 267 CO 0.01 0.89 -0.36 -1.49 -1.07 0.00 0.00 179.97 177.95 1s00 h TRP 268 N 0.00 0.68 -0.31 3.04 4.06 -0.72 -3.00 115.95 119.69 1s00 h TRP 268 Ca -0.01 -0.25 -0.00 0.00 2.06 0.00 0.00 58.89 60.69 1s00 h TRP 268 Cb 1.65 -0.12 -0.01 0.00 -1.00 0.00 0.00 29.16 29.67 1s00 h TRP 268 CO 0.00 0.99 0.18 0.00 -3.56 0.00 0.00 178.44 176.05 1s00 h ALA 269 N 0.56 0.40 -0.76 1.49 0.00 -0.75 -0.79 119.26 119.40 1s00 h ALA 269 Ca 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1s00 h ALA 269 Cb 0.97 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1s00 h ALA 269 CO 0.08 -0.09 0.34 0.97 0.00 0.00 0.00 179.25 180.55 1s00 h ILE 270 N 0.39 1.25 -0.09 0.00 2.10 -1.13 -2.74 117.51 117.29 1s00 h ILE 270 Ca 0.11 -0.74 -0.16 0.00 1.08 0.00 0.00 64.86 65.15 1s00 h ILE 270 Cb 0.03 0.32 0.01 0.00 -1.09 0.00 0.00 36.82 36.09 1s00 h ILE 270 CO -0.02 0.31 -0.57 -0.50 -1.08 0.00 0.00 178.15 176.29 1s00 h TRP 271 N 1.09 0.74 -0.77 2.19 4.06 -1.43 -0.96 115.95 120.88 1s00 h TRP 271 Ca 0.26 -0.34 0.15 0.00 2.06 0.00 0.00 58.89 61.02 1s00 h TRP 271 Cb 0.16 -0.11 -0.10 0.00 -1.00 0.00 0.00 29.16 28.11 1s00 h TRP 271 CO 0.01 1.13 0.30 1.98 -3.56 0.00 0.00 178.44 178.31 1s00 h MET 272 N 0.14 0.41 0.02 0.49 4.05 -1.08 0.13 114.93 119.09 1s00 h MET 272 Ca -0.05 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.35 1s00 h MET 272 Cb 1.22 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.93 1s00 h MET 272 CO 0.12 0.27 -0.01 0.00 0.23 0.00 0.00 176.91 177.52 1s00 h ALA 273 N 1.57 -0.02 -0.99 0.39 0.00 -1.51 -3.34 119.26 115.36 1s00 h ALA 273 Ca 0.43 -0.37 0.18 0.00 0.00 0.00 0.00 54.91 55.15 1s00 h ALA 273 Cb 0.68 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.38 1s00 h ALA 273 CO -0.43 -0.05 0.62 0.28 0.00 0.00 0.00 179.25 179.67 1s00 h VAL 274 N -0.95 0.75 0.00 0.00 2.07 -0.91 0.35 116.25 117.55 1s00 h VAL 274 Ca -0.00 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1s00 h VAL 274 Cb 0.75 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1s00 h VAL 274 CO 0.00 0.14 0.00 -0.07 0.02 0.00 0.00 177.57 177.66 1s00 h LEU 275 N 0.77 0.00 0.36 2.57 3.38 -0.86 -2.02 115.31 119.50 1s00 h LEU 275 Ca 0.55 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.50 1s00 h LEU 275 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1s00 h LEU 275 CO -0.33 0.00 -0.17 0.58 0.09 0.00 0.00 178.44 178.61 1s00 h VAL 276 N 0.00 0.66 0.00 1.22 2.07 -1.03 -1.65 116.25 117.52 1s00 h VAL 276 Ca 0.00 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 1s00 h VAL 276 Cb 0.27 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1s00 h VAL 276 CO 0.00 0.04 -0.66 0.71 0.02 0.00 0.00 177.57 177.67 1s00 h THR 277 N -0.57 0.30 0.04 2.57 1.35 -1.67 -2.18 112.91 112.75 1s00 h THR 277 Ca -0.05 -1.48 -0.00 0.00 -0.55 0.00 0.00 66.41 64.33 1s00 h THR 277 Cb 0.43 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 1s00 h THR 277 CO 0.08 0.17 -0.02 0.25 -0.25 0.00 0.00 175.52 175.76 1s00 h LEU 278 N 0.00 -0.04 -0.46 3.87 6.46 -1.35 0.55 115.31 124.34 1s00 h LEU 278 Ca -0.03 -0.40 -0.14 0.00 -0.12 0.00 0.00 57.88 57.18 1s00 h LEU 278 Cb 1.20 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 41.13 1s00 h LEU 278 CO 0.02 0.39 -0.28 0.71 -0.62 0.00 0.00 178.44 178.66 1s00 h THR 279 N -0.49 1.27 -0.86 1.05 1.35 -1.41 -2.82 112.91 111.00 1s00 h THR 279 Ca -0.01 -1.45 0.01 0.00 -0.55 0.00 0.00 66.41 64.41 1s00 h THR 279 Cb 0.45 1.22 -0.04 0.00 -1.73 0.00 0.00 68.15 68.04 1s00 h THR 279 CO 0.01 0.50 0.57 1.23 -0.25 0.00 0.00 175.52 177.58 1s00 h GLY 280 N 0.84 1.21 1.05 5.82 0.00 -1.32 0.23 103.07 110.91 1s00 h GLY 280 Ca 0.09 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1s00 h GLY 280 CO 0.08 0.44 0.52 -1.33 0.00 0.00 0.00 176.54 176.26 1s00 h GLY 281 N 1.17 1.33 0.94 4.60 0.00 0.23 0.09 103.07 111.43 1s00 h GLY 281 Ca 0.32 -0.58 -0.11 0.00 0.00 0.00 0.00 47.33 46.96 1s00 h GLY 281 CO -0.07 0.56 -0.29 -2.22 0.00 0.00 0.00 176.54 174.52 1s00 h ILE 282 N 1.26 1.31 -0.42 2.60 2.04 -1.13 0.13 117.51 123.29 1s00 h ILE 282 Ca 0.32 -1.46 0.04 0.00 1.00 0.00 0.00 64.86 64.76 1s00 h ILE 282 Cb -0.02 1.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 1s00 h ILE 282 CO -0.06 0.46 0.18 1.23 0.00 0.00 0.00 178.15 179.97 1s00 h GLY 283 N 0.36 0.57 1.14 5.37 0.00 -0.10 -1.80 103.07 108.60 1s00 h GLY 283 Ca 0.04 -0.12 -0.18 0.00 0.00 0.00 0.00 47.33 47.06 1s00 h GLY 283 CO 0.07 0.07 -0.53 -2.22 0.00 0.00 0.00 176.54 173.93 1s00 h ILE 284 N 0.38 1.27 -0.10 2.60 1.08 -0.95 -2.82 117.51 118.97 1s00 h ILE 284 Ca 0.19 -1.71 0.03 0.00 -0.39 0.00 0.00 64.86 62.98 1s00 h ILE 284 Cb 0.13 1.61 -0.04 0.00 -3.07 0.00 0.00 36.82 35.46 1s00 h ILE 284 CO -0.16 0.56 -0.11 0.25 -0.69 0.00 0.00 178.15 178.00 1s00 h LEU 285 N 0.67 -0.35 -1.33 1.44 5.85 -0.40 -2.24 115.31 118.95 1s00 h LEU 285 Ca 0.02 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1s00 h LEU 285 Cb 1.14 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.31 1s00 h LEU 285 CO 0.12 -0.16 0.26 -0.07 -0.34 0.00 0.00 178.44 178.25 1s00 h LEU 286 N -0.15 0.64 -9.25 2.25 3.38 -1.39 -3.37 115.31 107.42 1s00 h LEU 286 Ca 0.07 -0.05 -0.55 0.00 0.09 0.00 0.00 57.88 57.44 1s00 h LEU 286 Cb 0.26 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.86 1s00 h LEU 286 CO -0.19 0.54 1.30 -1.20 0.09 0.00 0.00 178.44 178.98 1s00 n SER 287 N -4.39 3.90 0.00 -0.43 7.64 -0.84 -0.73 113.62 118.77 1s00 n SER 287 Ca 0.04 0.73 0.00 0.00 1.01 0.00 0.00 58.87 60.65 1s00 n SER 287 Cb 0.12 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 61.79 1s00 n SER 287 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s00 n GLY 288 N 4.87 3.18 0.13 0.23 0.00 0.28 -4.78 105.19 109.10 1s00 n GLY 288 Ca 0.23 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.04 1s00 n GLY 288 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s00 n THR 289 N -1.63 1.52 -0.04 2.61 -2.24 -0.75 -4.78 114.28 108.97 1s00 n THR 289 Ca 0.00 -0.52 -0.05 0.00 -2.27 0.00 0.00 64.05 61.21 1s00 n THR 289 Cb 0.00 -1.56 -0.03 0.00 -2.10 0.00 0.00 70.33 66.64 1s00 n THR 289 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1s00 n VAL 290 N -3.53 0.41 -4.97 2.28 0.31 0.09 -5.02 118.33 107.90 1s00 n VAL 290 Ca -0.47 -0.16 -0.31 0.00 -0.01 0.00 0.00 64.34 63.39 1s00 n VAL 290 Cb 0.96 -0.75 -0.17 0.00 -0.91 0.00 0.00 33.84 32.98 1s00 n VAL 290 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1s00 s VAL 291 N -2.14 1.95 -0.05 2.52 1.01 -0.81 -4.99 120.40 117.90 1s00 s VAL 291 Ca -0.09 -0.94 0.22 0.00 0.00 0.00 0.00 61.98 61.16 1s00 s VAL 291 Cb 0.02 -1.71 -0.32 0.00 0.00 0.00 0.00 36.38 34.38 1s00 s VAL 291 CO 0.16 0.53 0.51 0.47 0.00 0.00 0.00 175.10 176.78 1s00 n ASP 292 N 3.74 0.06 -3.47 3.32 8.00 -1.26 0.99 116.55 127.93 1s00 n ASP 292 Ca -0.20 0.02 -0.19 0.00 0.71 0.00 0.00 54.79 55.14 1s00 n ASP 292 Cb 0.52 1.87 -0.12 0.00 -0.02 0.00 0.00 41.12 43.38 1s00 n ASP 292 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1s00 s ASN 293 N -4.60 1.61 0.36 -2.24 3.84 -1.26 -4.07 114.94 108.58 1s00 s ASN 293 Ca -0.08 -0.44 0.05 0.00 0.21 0.00 0.00 52.86 52.60 1s00 s ASN 293 Cb 0.14 0.37 0.67 0.00 -0.55 0.00 0.00 41.25 41.88 1s00 s ASN 293 CO 0.90 -0.35 1.94 -0.50 -2.79 0.00 0.00 177.10 176.30 1s00 h TRP 294 N 8.30 0.56 0.18 0.43 4.06 -1.11 0.80 115.95 129.17 1s00 h TRP 294 Ca -0.16 -0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.75 1s00 h TRP 294 Cb 1.12 -0.17 -0.00 0.00 -1.00 0.00 0.00 29.16 29.11 1s00 h TRP 294 CO 0.19 0.48 -0.11 -0.92 -3.56 0.00 0.00 178.44 174.51 1s00 h TYR 295 N 0.55 -0.29 0.16 0.49 3.20 -1.77 0.36 116.97 119.68 1s00 h TYR 295 Ca 0.13 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 1s00 h TYR 295 Cb 0.18 0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.56 1s00 h TYR 295 CO 0.01 -0.17 -0.08 0.28 -1.64 0.00 0.00 178.16 176.56 1s00 h VAL 296 N -0.28 0.85 -0.82 1.81 2.07 -1.76 -1.47 116.25 116.65 1s00 h VAL 296 Ca -0.02 -0.03 0.11 0.00 0.82 0.00 0.00 66.70 67.58 1s00 h VAL 296 Cb 0.24 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 1s00 h VAL 296 CO 0.02 0.01 0.53 -0.25 0.02 0.00 0.00 177.57 177.90 1s00 h TRP 297 N -0.23 0.77 0.00 1.57 7.01 -0.75 0.33 115.95 124.66 1s00 h TRP 297 Ca -0.02 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1s00 h TRP 297 Cb 0.17 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 26.99 1s00 h TRP 297 CO -0.06 0.34 0.00 0.78 -2.79 0.00 0.00 178.44 176.71 1s00 h GLY 298 N 0.70 0.00 1.85 2.65 0.00 0.60 -2.10 103.07 106.78 1s00 h GLY 298 Ca 0.39 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.62 1s00 h GLY 298 CO -0.15 0.00 -0.55 1.46 0.00 0.00 0.00 176.54 177.30 1s00 h GLN 299 N 0.00 0.00 0.00 4.80 1.08 0.66 -3.33 115.11 118.32 1s00 h GLN 299 Ca 0.00 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 56.94 1s00 h GLN 299 Cb 0.39 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.77 1s00 h GLN 299 CO 0.00 0.38 -2.03 0.09 -0.95 0.00 0.00 178.83 176.33 1s00 n ASN 300 N -3.15 0.30 -0.24 1.46 4.13 -0.95 -5.12 115.26 111.71 1s00 n ASN 300 Ca 0.01 0.14 0.15 0.00 1.68 0.00 0.00 54.58 56.56 1s00 n ASN 300 Cb 0.71 0.84 0.74 0.00 -1.54 0.00 0.00 39.78 40.52 1s00 n ASN 300 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11