#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jiy s TYR 3 N 0.00 3.39 -0.71 -1.84 5.04 -1.26 -4.94 117.35 117.02 2jiy s TYR 3 Ca 0.00 1.28 0.09 0.00 -2.44 0.00 0.00 57.07 56.00 2jiy s TYR 3 Cb 0.00 -3.48 -0.02 0.00 0.35 0.00 0.00 41.96 38.81 2jiy s TYR 3 CO 0.00 -1.48 0.54 1.04 -1.34 0.00 0.00 175.55 174.30 2jiy n GLN 4 N 3.29 2.61 -2.66 4.97 1.13 -1.26 -5.02 117.38 120.44 2jiy n GLN 4 Ca 0.07 -0.44 -0.20 0.00 -1.94 0.00 0.00 57.00 54.49 2jiy n GLN 4 Cb 0.45 -1.01 0.01 0.00 0.11 0.00 0.00 30.24 29.80 2jiy n GLN 4 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2jiy n ASN 5 N -0.47 -5.62 0.04 1.08 5.15 -1.26 -4.91 115.26 109.26 2jiy n ASN 5 Ca 0.03 -0.14 -0.22 0.00 -0.60 0.00 0.00 54.58 53.65 2jiy n ASN 5 Cb 0.17 -4.56 -0.14 0.00 -0.53 0.00 0.00 39.78 34.72 2jiy n ASN 5 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 2jiy h ILE 6 N -0.65 0.98 -4.54 -1.44 1.08 -1.96 -3.46 117.51 107.52 2jiy h ILE 6 Ca -0.47 -2.45 -0.69 0.00 -0.39 0.00 0.00 64.86 60.86 2jiy h ILE 6 Cb 1.33 2.74 -0.30 0.00 -3.07 0.00 0.00 36.82 37.52 2jiy h ILE 6 CO 0.53 0.78 -0.88 -0.36 -0.69 0.00 0.00 178.15 177.52 2jiy s PHE 7 N -2.52 2.27 0.44 1.37 0.08 -1.26 -4.78 117.98 113.57 2jiy s PHE 7 Ca -0.18 -0.45 -0.25 0.00 0.12 0.00 0.00 56.93 56.18 2jiy s PHE 7 Cb 0.05 -1.46 -0.08 0.00 -0.57 0.00 0.00 43.02 40.96 2jiy s PHE 7 CO 0.81 -0.05 1.26 -1.12 -0.10 0.00 0.00 175.22 176.02 2jiy s SER 8 N -0.56 6.16 -0.07 1.36 0.01 0.27 -4.97 113.70 115.90 2jiy s SER 8 Ca 0.09 2.55 -0.11 0.00 1.31 0.00 0.00 55.95 59.79 2jiy s SER 8 Cb -0.10 -2.63 -0.30 0.00 0.21 0.00 0.00 66.02 63.21 2jiy s SER 8 CO -0.01 -0.94 0.59 1.56 0.41 0.00 0.00 173.24 174.86 2jiy h GLN 9 N 2.36 0.36 -5.16 12.44 4.20 -1.97 -3.47 115.11 123.88 2jiy h GLN 9 Ca -0.50 -0.61 -0.49 0.00 0.06 0.00 0.00 58.65 57.12 2jiy h GLN 9 Cb 1.25 0.23 -0.30 0.00 0.30 0.00 0.00 27.48 28.96 2jiy h GLN 9 CO 0.61 1.29 -0.81 0.54 -0.67 0.00 0.00 178.83 179.79 2jiy s VAL 10 N -2.56 1.11 -0.09 -0.54 0.11 -1.26 -5.14 120.40 112.02 2jiy s VAL 10 Ca -0.18 -0.58 -0.04 0.00 -2.93 0.00 0.00 61.98 58.26 2jiy s VAL 10 Cb 0.06 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.93 2jiy s VAL 10 CO 0.83 0.32 0.06 -1.10 -3.33 0.00 0.00 175.10 171.88 2jiy s GLN 11 N -0.15 3.15 0.10 1.54 -0.21 -1.26 -5.10 119.66 117.72 2jiy s GLN 11 Ca 0.02 -0.32 0.10 0.00 0.02 0.00 0.00 55.36 55.19 2jiy s GLN 11 Cb -0.07 -2.94 -0.04 0.00 1.00 0.00 0.00 33.01 30.96 2jiy s GLN 11 CO 0.00 0.73 -0.26 0.14 -2.12 0.00 0.00 175.29 173.77 2jiy s VAL 12 N -0.97 2.26 -0.01 1.09 -7.23 -1.26 -5.15 120.40 109.14 2jiy s VAL 12 Ca 0.15 -1.63 0.02 0.00 -1.81 0.00 0.00 61.98 58.71 2jiy s VAL 12 Cb -0.12 -1.97 -0.00 0.00 0.56 0.00 0.00 36.38 34.86 2jiy s VAL 12 CO 0.04 0.18 -0.07 -0.60 -0.31 0.00 0.00 175.10 174.34 2jiy s ARG 13 N -1.81 0.61 0.00 4.82 3.52 -1.26 -5.04 118.95 119.79 2jiy s ARG 13 Ca 0.13 -0.24 0.00 0.00 -0.13 0.00 0.00 55.73 55.50 2jiy s ARG 13 Cb -0.10 -0.59 0.00 0.00 -1.56 0.00 0.00 34.95 32.70 2jiy s ARG 13 CO 0.05 0.13 0.00 0.41 -0.81 0.00 0.00 175.30 175.07 2jiy n GLY 14 N 3.04 4.41 3.72 8.12 0.00 -1.26 -5.12 105.19 118.11 2jiy n GLY 14 Ca -0.15 -1.93 -0.39 0.00 0.00 0.00 0.00 46.02 43.56 2jiy n GLY 14 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2jiy n PRO 15 N 0.00 1.70 -1.59 1.61 -0.02 -1.26 -4.86 135.00 130.58 2jiy n PRO 15 Ca 0.00 0.62 -0.49 0.00 -2.02 0.00 0.00 63.50 61.61 2jiy n PRO 15 Cb 0.00 -2.50 -0.05 0.00 -0.02 0.00 0.00 33.50 30.93 2jiy n PRO 15 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jiy n ALA 16 N -0.89 -0.69 -2.57 3.55 0.00 -1.26 -4.91 120.51 113.73 2jiy n ALA 16 Ca 0.10 0.48 -0.43 0.00 0.00 0.00 0.00 53.44 53.58 2jiy n ALA 16 Cb 0.44 -2.06 -0.05 0.00 0.00 0.00 0.00 19.45 17.77 2jiy n ALA 16 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2jiy s ASP 17 N 0.17 6.37 0.00 0.00 -1.08 -1.26 -4.90 116.67 115.97 2jiy s ASP 17 Ca 0.76 -0.26 0.26 0.00 -0.52 0.00 0.00 52.55 52.80 2jiy s ASP 17 Cb -0.87 -2.37 0.78 0.00 -1.46 0.00 0.00 42.92 39.00 2jiy s ASP 17 CO 0.50 -0.94 1.60 0.18 0.52 0.00 0.00 175.17 177.03 2jiy n LEU 18 N 6.72 0.42 0.00 -1.34 4.77 -1.26 -4.69 117.00 121.62 2jiy n LEU 18 Ca 0.01 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2jiy n LEU 18 Cb 0.48 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2jiy n LEU 18 CO 0.58 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 2jiy n GLY 19 N 1.46 0.25 3.80 -0.72 0.00 -1.26 -4.92 105.19 103.80 2jiy n GLY 19 Ca 0.07 -2.05 -0.34 0.00 0.00 0.00 0.00 46.02 43.70 2jiy n GLY 19 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jiy s MET 20 N -1.02 3.88 -0.16 1.61 -1.94 -1.26 -5.02 119.30 115.38 2jiy s MET 20 Ca 0.00 1.29 -0.15 0.00 -1.71 0.00 0.00 55.69 55.12 2jiy s MET 20 Cb 0.00 -2.11 -0.05 0.00 2.01 0.00 0.00 34.83 34.68 2jiy s MET 20 CO 0.00 -0.36 -0.30 2.41 -0.01 0.00 0.00 175.02 176.77 2jiy n THR 21 N -0.96 1.35 0.00 2.05 -1.04 -1.26 -4.93 114.28 109.49 2jiy n THR 21 Ca 0.09 0.18 0.00 0.00 -2.04 0.00 0.00 64.05 62.28 2jiy n THR 21 Cb 0.53 -2.28 0.00 0.00 -1.82 0.00 0.00 70.33 66.76 2jiy n THR 21 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2jiy n GLU 22 N -4.30 0.00 -0.74 -2.82 -0.58 -1.26 -0.97 120.64 109.97 2jiy n GLU 22 Ca -0.12 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.70 2jiy n GLU 22 Cb 0.44 0.00 0.38 0.00 -0.57 0.00 0.00 31.44 31.69 2jiy n GLU 22 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2jiy n ASP 23 N 2.56 5.20 -4.74 1.62 8.00 -0.37 -4.98 116.55 123.84 2jiy n ASP 23 Ca 0.00 -2.72 -0.41 0.00 0.71 0.00 0.00 54.79 52.37 2jiy n ASP 23 Cb 0.00 -0.63 -0.03 0.00 -0.02 0.00 0.00 41.12 40.44 2jiy n ASP 23 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2jiy s VAL 24 N -2.35 3.41 -0.76 2.53 1.01 -0.14 -4.90 120.40 119.20 2jiy s VAL 24 Ca 0.52 1.22 -0.26 0.00 0.00 0.00 0.00 61.98 63.46 2jiy s VAL 24 Cb 0.37 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.98 2jiy s VAL 24 CO 0.19 0.21 1.58 0.21 0.00 0.00 0.00 175.10 177.29 2jiy s ASN 25 N 0.01 5.79 0.60 3.32 3.84 -1.26 -4.87 114.94 122.37 2jiy s ASN 25 Ca 0.52 -0.38 0.32 0.00 0.21 0.00 0.00 52.86 53.53 2jiy s ASN 25 Cb -0.34 -2.55 1.89 0.00 -0.55 0.00 0.00 41.25 39.70 2jiy s ASN 25 CO 0.39 -2.08 2.27 -0.07 -2.79 0.00 0.00 177.10 174.82 2jiy h LEU 26 N 14.71 0.00 -1.98 3.21 3.38 -1.95 -1.97 115.31 130.71 2jiy h LEU 26 Ca -0.15 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2jiy h LEU 26 Cb 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 2jiy h LEU 26 CO 1.27 0.01 -0.09 0.00 0.09 0.00 0.00 178.44 179.72 2jiy h ALA 27 N 1.99 1.61 -0.08 1.53 0.00 -2.02 -2.42 119.26 119.87 2jiy h ALA 27 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2jiy h ALA 27 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2jiy h ALA 27 CO 0.00 0.11 0.00 0.09 0.00 0.00 0.00 179.25 179.45 2jiy n ASN 28 N -4.08 1.18 -4.79 0.00 3.02 -0.74 -4.86 115.26 104.99 2jiy n ASN 28 Ca -0.03 -1.53 -0.38 0.00 -0.03 0.00 0.00 54.58 52.61 2jiy n ASN 28 Cb 0.17 -0.05 -0.06 0.00 -0.61 0.00 0.00 39.78 39.23 2jiy n ASN 28 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2jiy s ARG 29 N -1.90 4.11 1.27 3.52 0.52 -0.91 -0.43 118.95 125.11 2jiy s ARG 29 Ca 0.35 0.48 -0.21 0.00 -0.52 0.00 0.00 55.73 55.83 2jiy s ARG 29 Cb 0.18 -3.29 0.31 0.00 0.52 0.00 0.00 34.95 32.67 2jiy s ARG 29 CO 0.28 0.51 1.08 -1.54 0.02 0.00 0.00 175.30 175.66 2jiy s SER 30 N -0.54 0.34 0.79 0.23 1.04 0.02 -4.98 113.70 110.61 2jiy s SER 30 Ca 0.25 0.57 -0.12 0.00 0.48 0.00 0.00 55.95 57.14 2jiy s SER 30 Cb -0.17 -0.76 0.07 0.00 0.10 0.00 0.00 66.02 65.27 2jiy s SER 30 CO 0.13 -4.47 1.14 -0.83 0.98 0.00 0.00 173.24 170.18 2jiy s GLY 31 N -3.86 1.60 0.53 7.32 0.00 -1.26 -4.65 107.32 107.00 2jiy s GLY 31 Ca 0.71 -0.47 -0.22 0.00 0.00 0.00 0.00 44.72 44.75 2jiy s GLY 31 CO 0.56 -0.01 1.33 0.54 0.00 0.00 0.00 173.10 175.52 2jiy s VAL 32 N -3.40 2.23 0.00 1.40 0.11 -1.26 -4.32 120.40 115.16 2jiy s VAL 32 Ca 0.61 0.17 0.00 0.00 -2.93 0.00 0.00 61.98 59.83 2jiy s VAL 32 Cb -0.12 -3.09 0.00 0.00 -1.53 0.00 0.00 36.38 31.64 2jiy s VAL 32 CO 0.51 -0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.89 2jiy n GLY 33 N 0.68 0.07 3.89 6.54 0.00 0.10 -4.91 105.19 111.57 2jiy n GLY 33 Ca 0.10 -1.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.04 2jiy n GLY 33 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jiy s PRO 34 N -0.16 1.92 -0.20 1.61 0.04 -1.26 -4.61 135.00 132.34 2jiy s PRO 34 Ca 0.00 0.12 -0.08 0.00 0.04 0.00 0.00 61.00 61.08 2jiy s PRO 34 Cb 0.00 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 2jiy s PRO 34 CO 0.00 -1.63 0.07 -0.06 0.04 0.00 0.00 177.00 175.42 2jiy s PHE 35 N -3.57 3.23 -0.40 0.56 0.40 -1.26 -1.42 117.98 115.53 2jiy s PHE 35 Ca 0.62 0.02 -0.13 0.00 -0.60 0.00 0.00 56.93 56.84 2jiy s PHE 35 Cb -0.11 -2.12 0.03 0.00 0.51 0.00 0.00 43.02 41.33 2jiy s PHE 35 CO 0.49 0.08 0.26 0.45 0.70 0.00 0.00 175.22 177.20 2jiy s SER 36 N 0.60 5.91 0.35 1.36 0.15 0.61 -4.94 113.70 117.75 2jiy s SER 36 Ca 0.04 -1.00 0.05 0.00 0.70 0.00 0.00 55.95 55.74 2jiy s SER 36 Cb -0.13 -2.09 0.70 0.00 -1.71 0.00 0.00 66.02 62.79 2jiy s SER 36 CO 0.01 -0.43 1.97 0.74 1.20 0.00 0.00 173.24 176.72 2jiy h THR 37 N 5.78 1.05 0.52 6.45 2.02 -1.98 -1.73 112.91 125.03 2jiy h THR 37 Ca -0.26 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 2jiy h THR 37 Cb 1.11 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 2jiy h THR 37 CO 0.71 0.15 -0.50 0.25 0.37 0.00 0.00 175.52 176.50 2jiy h LEU 38 N 0.80 -1.36 -1.00 2.58 5.85 -1.96 -2.52 115.31 117.70 2jiy h LEU 38 Ca 0.30 0.11 0.14 0.00 0.84 0.00 0.00 57.88 59.27 2jiy h LEU 38 Cb 0.18 0.45 -0.09 0.00 0.37 0.00 0.00 40.66 41.57 2jiy h LEU 38 CO -0.10 -0.67 0.62 -0.07 -0.34 0.00 0.00 178.44 177.89 2jiy h LEU 39 N -1.01 0.88 -2.47 2.25 3.38 -1.84 -2.64 115.31 113.86 2jiy h LEU 39 Ca -0.06 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jiy h LEU 39 Cb 0.88 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2jiy h LEU 39 CO -0.05 0.44 0.01 1.23 0.09 0.00 0.00 178.44 180.16 2jiy h GLY 40 N 0.93 0.00 2.00 0.83 0.00 -0.87 0.14 103.07 106.10 2jiy h GLY 40 Ca 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.81 2jiy h GLY 40 CO -0.29 0.00 -0.18 1.49 0.00 0.00 0.00 176.54 177.55 2jiy h TRP 41 N 0.00 0.00 0.00 5.60 4.06 -1.31 -3.38 115.95 120.92 2jiy h TRP 41 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2jiy h TRP 41 Cb 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.18 2jiy h TRP 41 CO 0.00 0.18 -0.97 0.34 -3.56 0.00 0.00 178.44 174.43 2jiy n PHE 42 N -3.54 0.00 -2.11 0.49 7.35 -0.23 -0.56 117.46 118.86 2jiy n PHE 42 Ca -0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 2jiy n PHE 42 Cb 0.33 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.17 2jiy n PHE 42 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2jiy n GLY 43 N 3.32 5.40 3.77 7.13 0.00 0.33 -4.92 105.19 120.22 2jiy n GLY 43 Ca 0.00 -1.34 -0.39 0.00 0.00 0.00 0.00 46.02 44.29 2jiy n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jiy s ASN 44 N 1.00 6.87 0.21 1.61 0.02 -1.26 -3.88 114.94 119.51 2jiy s ASN 44 Ca 0.00 2.32 0.14 0.00 -1.02 0.00 0.00 52.86 54.30 2jiy s ASN 44 Cb 0.00 -2.62 -0.02 0.00 0.02 0.00 0.00 41.25 38.63 2jiy s ASN 44 CO 0.00 -0.43 1.31 0.00 0.02 0.00 0.00 177.10 178.00 2jiy h ALA 45 N 3.16 0.62 -2.46 0.60 0.00 -1.85 -3.37 119.26 115.97 2jiy h ALA 45 Ca -0.48 -0.61 -0.54 0.00 0.00 0.00 0.00 54.91 53.28 2jiy h ALA 45 Cb 1.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2jiy h ALA 45 CO 0.64 0.79 0.60 -1.14 0.00 0.00 0.00 179.25 180.14 2jiy s GLN 46 N -2.91 4.41 -0.11 0.00 0.74 -1.26 -0.28 119.66 120.26 2jiy s GLN 46 Ca 0.02 1.78 -0.05 0.00 0.05 0.00 0.00 55.36 57.16 2jiy s GLN 46 Cb 0.08 -3.38 -0.04 0.00 1.10 0.00 0.00 33.01 30.77 2jiy s GLN 46 CO 0.77 -0.30 0.09 -0.51 -0.55 0.00 0.00 175.29 174.79 2jiy s LEU 47 N 1.28 4.09 0.00 3.68 1.43 -0.50 -4.96 118.68 123.70 2jiy s LEU 47 Ca 0.59 0.35 0.00 0.00 -1.03 0.00 0.00 54.13 54.04 2jiy s LEU 47 Cb -0.29 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 43.94 2jiy s LEU 47 CO 0.28 0.40 0.00 0.61 0.23 0.00 0.00 176.35 177.87 2jiy n GLY 48 N 2.02 -2.01 3.76 -3.19 0.00 -1.26 0.01 105.19 104.52 2jiy n GLY 48 Ca -0.19 -1.31 -0.29 0.00 0.00 0.00 0.00 46.02 44.22 2jiy n GLY 48 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2jiy s PRO 49 N -1.51 1.20 0.11 1.61 0.02 -1.26 -4.55 135.00 130.61 2jiy s PRO 49 Ca 0.00 0.47 0.10 0.00 0.02 0.00 0.00 61.00 61.59 2jiy s PRO 49 Cb 0.00 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.65 2jiy s PRO 49 CO 0.00 -2.20 -0.26 -1.50 -0.33 0.00 0.00 177.00 172.71 2jiy s ILE 50 N -3.15 2.14 -0.16 2.83 2.07 -1.26 -4.95 121.20 118.73 2jiy s ILE 50 Ca 0.63 -1.65 -0.16 0.00 -1.41 0.00 0.00 60.65 58.06 2jiy s ILE 50 Cb -0.16 -1.89 -0.04 0.00 0.13 0.00 0.00 42.46 40.50 2jiy s ILE 50 CO 0.55 0.12 0.37 -0.47 -1.91 0.00 0.00 174.94 173.60 2jiy s TYR 51 N -1.03 3.46 -0.38 3.50 6.14 -1.26 -0.80 117.35 126.98 2jiy s TYR 51 Ca 0.12 0.69 0.01 0.00 0.64 0.00 0.00 57.07 58.54 2jiy s TYR 51 Cb -0.10 -2.45 0.15 0.00 0.42 0.00 0.00 41.96 39.98 2jiy s TYR 51 CO 0.05 0.16 0.25 -0.51 0.64 0.00 0.00 175.55 176.14 2jiy s LEU 52 N 0.69 1.41 0.00 6.97 1.02 0.42 -4.97 118.68 124.22 2jiy s LEU 52 Ca 0.20 -2.48 0.00 0.00 0.02 0.00 0.00 54.13 51.87 2jiy s LEU 52 Cb -0.14 -0.53 0.00 0.00 0.02 0.00 0.00 46.19 45.54 2jiy s LEU 52 CO 0.07 -0.27 0.00 0.61 0.02 0.00 0.00 176.35 176.78 2jiy n GLY 53 N 3.67 0.65 0.31 -3.19 0.00 -1.26 -4.83 105.19 100.53 2jiy n GLY 53 Ca 0.15 -1.91 -0.06 0.00 0.00 0.00 0.00 46.02 44.21 2jiy n GLY 53 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jiy h SER 54 N 0.00 0.97 -0.17 1.61 0.02 -1.99 -1.43 113.55 112.56 2jiy h SER 54 Ca 0.00 -0.14 -0.10 0.00 -0.84 0.00 0.00 61.79 60.72 2jiy h SER 54 Cb 0.00 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 2jiy h SER 54 CO 0.00 0.83 -0.21 0.25 -1.14 0.00 0.00 176.83 176.56 2jiy h LEU 55 N 1.03 0.61 -0.32 5.07 5.85 -1.96 -0.08 115.31 125.52 2jiy h LEU 55 Ca 0.25 -0.20 -0.13 0.00 0.84 0.00 0.00 57.88 58.64 2jiy h LEU 55 Cb 0.12 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2jiy h LEU 55 CO -0.03 0.82 -0.30 1.23 -0.34 0.00 0.00 178.44 179.81 2jiy h GLY 56 N 0.99 0.83 1.00 3.75 0.00 -1.82 -1.46 103.07 106.36 2jiy h GLY 56 Ca 0.08 -0.84 -0.00 0.00 0.00 0.00 0.00 47.33 46.56 2jiy h GLY 56 CO 0.05 0.76 0.35 -2.08 0.00 0.00 0.00 176.54 175.62 2jiy h VAL 57 N 0.53 1.18 0.06 4.60 2.07 -1.05 -0.37 116.25 123.26 2jiy h VAL 57 Ca 0.05 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.19 2jiy h VAL 57 Cb 0.88 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 2jiy h VAL 57 CO 0.08 0.18 -0.23 0.25 0.02 0.00 0.00 177.57 177.87 2jiy h LEU 58 N 0.79 -0.65 -0.24 2.57 5.85 -0.93 -0.77 115.31 121.93 2jiy h LEU 58 Ca 0.21 0.08 0.03 0.00 0.84 0.00 0.00 57.88 59.05 2jiy h LEU 58 Cb -0.01 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 2jiy h LEU 58 CO -0.04 -0.30 0.04 -1.28 -0.34 0.00 0.00 178.44 176.51 2jiy h SER 59 N -0.39 -0.02 -0.19 1.25 0.87 -0.92 -0.55 113.55 113.60 2jiy h SER 59 Ca 0.04 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 2jiy h SER 59 Cb 0.44 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 2jiy h SER 59 CO -0.17 0.02 0.06 0.25 -0.53 0.00 0.00 176.83 176.47 2jiy h LEU 60 N 0.12 0.28 -0.62 2.23 5.85 -0.98 -1.07 115.31 121.12 2jiy h LEU 60 Ca 0.11 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.70 2jiy h LEU 60 Cb 0.12 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.02 2jiy h LEU 60 CO -0.16 0.41 0.30 0.15 -0.34 0.00 0.00 178.44 178.80 2jiy h PHE 61 N 0.14 0.54 -0.27 1.25 3.57 -0.86 -1.14 116.94 120.16 2jiy h PHE 61 Ca 0.06 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.53 2jiy h PHE 61 Cb 0.23 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 2jiy h PHE 61 CO 0.00 0.22 -0.07 0.77 -2.23 0.00 0.00 178.31 176.99 2jiy h SER 62 N 0.54 0.54 -0.34 0.41 0.02 -0.91 -0.91 113.55 112.89 2jiy h SER 62 Ca 0.29 -0.37 0.07 0.00 -0.84 0.00 0.00 61.79 60.94 2jiy h SER 62 Cb 0.27 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 62.60 2jiy h SER 62 CO -0.23 0.79 -0.05 1.23 -1.14 0.00 0.00 176.83 177.42 2jiy h GLY 63 N 0.29 0.28 1.27 -3.77 0.00 -0.88 0.22 103.07 100.47 2jiy h GLY 63 Ca 0.07 0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.43 2jiy h GLY 63 CO 0.03 -0.11 0.18 1.41 0.00 0.00 0.00 176.54 178.04 2jiy h LEU 64 N 0.03 0.86 -0.77 3.11 3.38 -1.13 -1.03 115.31 119.77 2jiy h LEU 64 Ca 0.17 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 2jiy h LEU 64 Cb 0.25 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2jiy h LEU 64 CO -0.33 0.82 -0.17 0.24 0.09 0.00 0.00 178.44 179.09 2jiy h MET 65 N 0.89 0.75 0.04 1.13 2.86 -0.19 0.31 114.93 120.73 2jiy h MET 65 Ca 0.20 -0.28 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2jiy h MET 65 Cb 0.28 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.89 2jiy h MET 65 CO -0.01 0.88 -0.02 2.35 1.06 0.00 0.00 176.91 181.17 2jiy h TRP 66 N 0.67 -0.05 -0.22 -0.22 7.01 -0.28 -0.32 115.95 122.53 2jiy h TRP 66 Ca 0.10 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.10 2jiy h TRP 66 Cb 0.66 0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.73 2jiy h TRP 66 CO 0.03 0.01 0.12 0.35 -2.79 0.00 0.00 178.44 176.16 2jiy h PHE 67 N -0.09 0.30 -0.23 2.65 3.57 -0.97 -2.54 116.94 119.62 2jiy h PHE 67 Ca -0.01 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.40 2jiy h PHE 67 Cb 0.08 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 2jiy h PHE 67 CO -0.06 0.27 -0.22 0.74 -2.23 0.00 0.00 178.31 176.80 2jiy h PHE 68 N 0.25 0.46 -0.50 0.41 0.04 -0.35 -1.38 116.94 115.88 2jiy h PHE 68 Ca 0.08 -0.09 -0.06 0.00 2.80 0.00 0.00 57.97 60.70 2jiy h PHE 68 Cb 0.06 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.08 2jiy h PHE 68 CO -0.04 0.62 0.08 1.15 -0.60 0.00 0.00 178.31 179.51 2jiy h THR 69 N 0.38 1.25 -0.44 -1.55 2.02 -0.84 0.49 112.91 114.22 2jiy h THR 69 Ca 0.06 -0.94 -0.03 0.00 0.77 0.00 0.00 66.41 66.28 2jiy h THR 69 Cb 0.60 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 2jiy h THR 69 CO 0.04 0.33 0.17 0.40 0.37 0.00 0.00 175.52 176.83 2jiy h ILE 70 N 0.70 1.21 -0.44 3.11 2.04 -1.32 -2.78 117.51 120.02 2jiy h ILE 70 Ca 0.15 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.37 2jiy h ILE 70 Cb 0.40 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 2jiy h ILE 70 CO 0.01 0.24 0.29 1.23 0.00 0.00 0.00 178.15 179.92 2jiy h GLY 71 N 0.56 0.62 1.01 5.37 0.00 -0.91 -1.01 103.07 108.71 2jiy h GLY 71 Ca 0.14 -0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.24 2jiy h GLY 71 CO -0.01 0.23 0.55 -2.22 0.00 0.00 0.00 176.54 175.09 2jiy h ILE 72 N 0.60 1.22 -0.59 2.60 1.08 -0.91 0.04 117.51 121.54 2jiy h ILE 72 Ca 0.16 -0.42 -0.00 0.00 -0.39 0.00 0.00 64.86 64.21 2jiy h ILE 72 Cb -0.06 -0.01 -0.03 0.00 -3.07 0.00 0.00 36.82 33.65 2jiy h ILE 72 CO -0.03 0.22 0.37 -0.25 -0.69 0.00 0.00 178.15 177.76 2jiy h TRP 73 N 1.15 0.77 0.07 1.37 2.91 -1.17 -1.24 115.95 119.80 2jiy h TRP 73 Ca 0.31 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.34 2jiy h TRP 73 Cb -0.11 -0.25 -0.01 0.00 -0.51 0.00 0.00 29.16 28.27 2jiy h TRP 73 CO -0.01 0.51 -0.08 0.74 -1.03 0.00 0.00 178.44 178.57 2jiy h PHE 74 N 0.80 -0.20 -0.75 2.65 -1.00 -0.30 0.33 116.94 118.47 2jiy h PHE 74 Ca 0.21 0.00 0.10 0.00 2.81 0.00 0.00 57.97 61.10 2jiy h PHE 74 Cb -0.04 0.08 -0.08 0.00 3.61 0.00 0.00 35.95 39.52 2jiy h PHE 74 CO -0.02 -0.12 0.38 -1.49 -1.61 0.00 0.00 178.31 175.44 2jiy h TRP 75 N -0.17 0.67 -0.15 -0.55 4.06 -0.91 0.15 115.95 119.05 2jiy h TRP 75 Ca 0.01 0.03 0.03 0.00 2.06 0.00 0.00 58.89 61.02 2jiy h TRP 75 Cb 0.17 -0.19 -0.03 0.00 -1.00 0.00 0.00 29.16 28.11 2jiy h TRP 75 CO -0.11 0.23 -0.03 -0.92 -3.56 0.00 0.00 178.44 174.05 2jiy h TYR 76 N 0.62 -0.07 -0.15 0.49 3.20 -0.75 0.12 116.97 120.44 2jiy h TYR 76 Ca 0.37 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.25 2jiy h TYR 76 Cb 0.41 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 2jiy h TYR 76 CO -0.10 -0.06 0.05 1.96 -1.64 0.00 0.00 178.16 178.37 2jiy h GLN 77 N 0.01 0.20 0.00 1.82 4.20 0.44 -0.72 115.11 121.06 2jiy h GLN 77 Ca 0.07 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2jiy h GLN 77 Cb 0.11 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.85 2jiy h GLN 77 CO -0.15 0.17 0.00 0.00 -0.67 0.00 0.00 178.83 178.18 2jiy n ALA 78 N -2.51 2.50 -2.43 3.87 0.00 0.40 -4.89 120.51 117.44 2jiy n ALA 78 Ca -0.01 -0.16 -0.16 0.00 0.00 0.00 0.00 53.44 53.10 2jiy n ALA 78 Cb 0.11 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.11 2jiy n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jiy n GLY 79 N 0.81 -0.29 2.70 0.00 0.00 -0.27 -2.65 105.19 105.49 2jiy n GLY 79 Ca 0.19 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 2jiy n GLY 79 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2jiy n TRP 80 N -4.06 0.00 -3.46 1.61 7.02 0.36 -4.96 117.44 113.95 2jiy n TRP 80 Ca -0.17 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 55.92 2jiy n TRP 80 Cb 0.63 -2.33 -0.09 0.00 -2.42 0.00 0.00 31.31 27.10 2jiy n TRP 80 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 2jiy s ASN 81 N -2.37 6.20 0.37 -0.99 3.84 -1.08 -4.98 114.94 115.93 2jiy s ASN 81 Ca 0.00 0.22 0.14 0.00 0.21 0.00 0.00 52.86 53.43 2jiy s ASN 81 Cb 0.00 -2.18 0.73 0.00 -0.55 0.00 0.00 41.25 39.25 2jiy s ASN 81 CO 0.00 -0.13 1.82 1.55 -2.79 0.00 0.00 177.10 177.55 2jiy h PRO 82 N 8.11 0.00 -0.35 0.43 0.13 -1.93 -0.75 132.00 137.65 2jiy h PRO 82 Ca -0.33 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.72 2jiy h PRO 82 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2jiy h PRO 82 CO 0.63 0.38 -0.07 0.00 -0.23 0.00 0.00 178.00 178.70 2jiy h ALA 83 N 1.62 0.48 -0.41 -0.56 0.00 -1.95 -1.95 119.26 116.49 2jiy h ALA 83 Ca -0.00 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 2jiy h ALA 83 Cb 0.69 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2jiy h ALA 83 CO 0.05 0.31 -0.22 0.28 0.00 0.00 0.00 179.25 179.67 2jiy h VAL 84 N 0.46 1.27 -0.60 0.00 2.07 -1.82 -0.95 116.25 116.68 2jiy h VAL 84 Ca 0.09 -1.35 0.05 0.00 0.82 0.00 0.00 66.70 66.31 2jiy h VAL 84 Cb 0.57 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.48 2jiy h VAL 84 CO 0.03 0.45 0.33 0.15 0.02 0.00 0.00 177.57 178.55 2jiy h PHE 85 N 0.71 0.60 0.02 1.57 3.57 -1.04 0.13 116.94 122.50 2jiy h PHE 85 Ca 0.10 0.02 -0.27 0.00 3.53 0.00 0.00 57.97 61.35 2jiy h PHE 85 Cb 0.75 -0.18 0.02 0.00 2.79 0.00 0.00 35.95 39.33 2jiy h PHE 85 CO 0.04 0.29 -1.07 -0.07 -2.23 0.00 0.00 178.31 175.28 2jiy h LEU 86 N 0.62 0.90 0.11 0.59 3.38 -1.27 -2.72 115.31 116.93 2jiy h LEU 86 Ca 0.27 -0.74 0.01 0.00 0.09 0.00 0.00 57.88 57.50 2jiy h LEU 86 Cb 0.15 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2jiy h LEU 86 CO -0.17 1.54 -0.13 -0.09 0.09 0.00 0.00 178.44 179.69 2jiy h ARG 87 N 0.38 -0.26 -0.64 1.13 2.43 -0.94 -3.21 114.38 113.27 2jiy h ARG 87 Ca -0.14 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2jiy h ARG 87 Cb 1.73 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 31.34 2jiy h ARG 87 CO 0.21 -0.18 0.00 -0.25 -1.51 0.00 0.00 179.97 178.24 2jiy n ASP 88 N -5.25 4.88 -0.25 -3.80 8.00 0.01 -4.71 116.55 115.43 2jiy n ASP 88 Ca -0.07 -2.61 0.04 0.00 0.71 0.00 0.00 54.79 52.86 2jiy n ASP 88 Cb 0.17 -0.61 0.17 0.00 -0.02 0.00 0.00 41.12 40.83 2jiy n ASP 88 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2jiy h LEU 89 N 3.77 0.22 0.00 0.64 5.85 -1.49 0.84 115.31 125.15 2jiy h LEU 89 Ca 0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2jiy h LEU 89 Cb 1.59 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.73 2jiy h LEU 89 CO 0.32 0.08 0.00 0.49 -0.34 0.00 0.00 178.44 178.99 2jiy n PHE 90 N -5.03 0.00 -0.00 1.25 3.01 -1.26 -3.58 117.46 111.84 2jiy n PHE 90 Ca 0.13 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.64 2jiy n PHE 90 Cb 0.40 -0.44 -0.12 0.00 -0.01 0.00 0.00 39.48 39.31 2jiy n PHE 90 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2jiy n PHE 91 N -1.44 0.35 -1.74 1.38 3.72 0.26 -1.60 117.46 118.39 2jiy n PHE 91 Ca 0.08 0.11 -0.34 0.00 -0.05 0.00 0.00 57.45 57.25 2jiy n PHE 91 Cb 0.29 -0.79 0.06 0.00 -0.94 0.00 0.00 39.48 38.09 2jiy n PHE 91 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2jiy s PHE 92 N -3.16 2.43 -0.21 1.38 0.08 -1.02 -4.84 117.98 112.63 2jiy s PHE 92 Ca -0.06 1.56 -0.12 0.00 0.12 0.00 0.00 56.93 58.43 2jiy s PHE 92 Cb 0.11 -3.30 0.07 0.00 -0.57 0.00 0.00 43.02 39.32 2jiy s PHE 92 CO 0.86 -2.01 0.52 0.45 -0.10 0.00 0.00 175.22 174.93 2jiy s SER 93 N -2.23 -0.68 -0.43 1.36 0.15 -1.26 -4.30 113.70 106.32 2jiy s SER 93 Ca 0.71 1.14 -0.20 0.00 0.70 0.00 0.00 55.95 58.30 2jiy s SER 93 Cb -0.24 1.04 0.02 0.00 -1.71 0.00 0.00 66.02 65.13 2jiy s SER 93 CO 0.40 -0.21 0.58 -0.22 1.20 0.00 0.00 173.24 174.99 2jiy s LEU 94 N 1.56 4.61 -0.01 3.45 2.96 -0.19 -4.94 118.68 126.11 2jiy s LEU 94 Ca -0.09 -0.43 -0.02 0.00 -0.22 0.00 0.00 54.13 53.37 2jiy s LEU 94 Cb -0.07 -2.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.96 2jiy s LEU 94 CO -0.16 -0.71 0.14 -1.61 -1.32 0.00 0.00 176.35 172.69 2jiy s GLU 95 N 2.60 3.27 0.99 1.98 0.41 -1.26 -0.85 118.70 125.84 2jiy s GLU 95 Ca 0.19 -0.38 -0.12 0.00 -0.41 0.00 0.00 54.97 54.24 2jiy s GLU 95 Cb -0.15 -3.00 0.18 0.00 -1.78 0.00 0.00 34.13 29.39 2jiy s GLU 95 CO 0.17 0.67 1.10 -1.25 -0.49 0.00 0.00 175.26 175.45 2jiy s PRO 96 N -1.80 0.51 0.56 0.39 0.04 -1.26 -4.11 135.00 129.32 2jiy s PRO 96 Ca 0.25 0.52 -0.21 0.00 0.04 0.00 0.00 61.00 61.60 2jiy s PRO 96 Cb -0.12 -1.75 -0.05 0.00 0.04 0.00 0.00 34.50 32.62 2jiy s PRO 96 CO 0.16 -2.68 1.20 -2.30 0.04 0.00 0.00 177.00 173.42 2jiy n PRO 97 N -4.14 1.35 -0.87 0.56 -0.02 -1.26 -4.55 135.00 126.07 2jiy n PRO 97 Ca 0.05 0.50 -0.32 0.00 -2.02 0.00 0.00 63.50 61.71 2jiy n PRO 97 Cb 0.57 -2.39 0.15 0.00 -0.02 0.00 0.00 33.50 31.81 2jiy n PRO 97 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jiy n ALA 98 N -1.29 -0.65 0.07 3.55 0.00 -1.26 -2.89 120.51 118.03 2jiy n ALA 98 Ca 0.12 -0.46 0.17 0.00 0.00 0.00 0.00 53.44 53.27 2jiy n ALA 98 Cb 0.45 -2.18 0.69 0.00 0.00 0.00 0.00 19.45 18.41 2jiy n ALA 98 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2jiy h PRO 99 N -1.45 0.00 -0.75 0.00 0.11 -1.93 -2.31 132.00 125.67 2jiy h PRO 99 Ca -0.44 0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.81 2jiy h PRO 99 Cb 1.28 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.34 2jiy h PRO 99 CO 0.42 0.00 0.50 0.93 -0.21 0.00 0.00 178.00 179.65 2jiy h GLU 100 N 0.00 0.44 -0.00 1.05 3.07 -1.99 -0.64 114.58 116.51 2jiy h GLU 100 Ca 0.19 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 2jiy h GLU 100 Cb 0.77 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.58 2jiy h GLU 100 CO -0.00 0.29 -0.03 0.66 -1.40 0.00 0.00 179.01 178.53 2jiy n TYR 101 N -4.49 0.00 -0.75 4.33 4.01 -0.87 -4.98 117.16 114.41 2jiy n TYR 101 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 2jiy n TYR 101 Cb 0.50 -0.18 0.00 0.00 -0.31 0.00 0.00 39.34 39.35 2jiy n TYR 101 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jiy n GLY 102 N 1.21 3.08 1.41 2.72 0.00 -0.25 -1.44 105.19 111.92 2jiy n GLY 102 Ca 0.17 -0.12 0.10 0.00 0.00 0.00 0.00 46.02 46.17 2jiy n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jiy n LEU 103 N 0.00 4.12 -4.87 0.99 4.77 -1.24 -1.97 117.00 118.80 2jiy n LEU 103 Ca 0.00 -2.07 -0.30 0.00 -0.03 0.00 0.00 56.01 53.61 2jiy n LEU 103 Cb 0.00 -0.51 0.06 0.00 -2.33 0.00 0.00 43.42 40.63 2jiy n LEU 103 CO 0.00 0.88 0.75 -0.94 -1.33 0.00 0.00 177.39 176.75 2jiy s SER 104 N -0.95 5.24 -0.38 -1.43 1.04 -0.52 -4.96 113.70 111.75 2jiy s SER 104 Ca 0.48 1.15 0.07 0.00 0.48 0.00 0.00 55.95 58.13 2jiy s SER 104 Cb 0.28 -1.93 0.66 0.00 0.10 0.00 0.00 66.02 65.13 2jiy s SER 104 CO 0.29 -1.47 1.79 0.49 0.98 0.00 0.00 173.24 175.32 2jiy n PHE 105 N -3.09 2.48 1.29 5.02 3.72 -1.26 -4.62 117.46 121.00 2jiy n PHE 105 Ca 0.07 -1.59 0.13 0.00 -0.05 0.00 0.00 57.45 56.01 2jiy n PHE 105 Cb 0.57 -0.77 0.35 0.00 -0.94 0.00 0.00 39.48 38.69 2jiy n PHE 105 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2jiy n ALA 106 N -0.85 2.64 -1.77 4.37 0.00 -1.26 -4.94 120.51 118.71 2jiy n ALA 106 Ca 0.49 -0.53 -0.39 0.00 0.00 0.00 0.00 53.44 53.01 2jiy n ALA 106 Cb 1.46 -1.03 -0.02 0.00 0.00 0.00 0.00 19.45 19.85 2jiy n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jiy s ALA 107 N -2.07 3.21 0.64 0.00 0.00 -1.26 -5.00 121.76 117.28 2jiy s ALA 107 Ca 0.33 1.01 -0.17 0.00 0.00 0.00 0.00 51.96 53.12 2jiy s ALA 107 Cb 0.20 -3.39 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 2jiy s ALA 107 CO 0.35 -0.54 1.22 -2.14 0.00 0.00 0.00 175.76 174.66 2jiy s PRO 108 N -2.19 2.65 0.29 0.00 0.02 -1.26 -3.99 135.00 130.53 2jiy s PRO 108 Ca 0.55 1.84 -0.04 0.00 0.02 0.00 0.00 61.00 63.37 2jiy s PRO 108 Cb -0.32 -1.89 0.58 0.00 0.02 0.00 0.00 34.50 32.89 2jiy s PRO 108 CO 0.41 -1.46 1.57 1.25 -0.33 0.00 0.00 177.00 178.44 2jiy h LEU 109 N 0.45 -0.73 -0.15 -5.54 5.85 -1.94 0.20 115.31 113.46 2jiy h LEU 109 Ca -0.50 0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2jiy h LEU 109 Cb 1.30 0.56 0.00 0.00 0.37 0.00 0.00 40.66 42.89 2jiy h LEU 109 CO 0.53 -0.34 -0.11 0.29 -0.34 0.00 0.00 178.44 178.48 2jiy n LYS 110 N -5.56 0.53 -2.52 1.25 5.02 -1.26 -1.34 118.16 114.28 2jiy n LYS 110 Ca 0.19 -0.15 -0.16 0.00 -2.02 0.00 0.00 58.31 56.16 2jiy n LYS 110 Cb 0.60 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 34.14 2jiy n LYS 110 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2jiy n GLU 111 N -1.10 2.44 0.00 1.97 1.02 0.55 -4.91 120.64 120.60 2jiy n GLU 111 Ca 0.13 -3.88 0.00 0.00 -0.02 0.00 0.00 57.16 53.40 2jiy n GLU 111 Cb 0.28 -1.82 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 2jiy n GLU 111 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jiy n GLY 112 N -0.40 1.23 0.13 0.62 0.00 -1.13 -4.37 105.19 101.27 2jiy n GLY 112 Ca 0.25 -0.24 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 2jiy n GLY 112 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2jiy h GLY 113 N 0.00 0.25 1.51 -0.02 0.00 -1.18 -1.55 103.07 102.08 2jiy h GLY 113 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 2jiy h GLY 113 CO 0.00 -0.07 0.23 1.41 0.00 0.00 0.00 176.54 178.11 2jiy h LEU 114 N 0.06 0.57 -0.91 3.11 3.38 -1.43 -1.52 115.31 118.57 2jiy h LEU 114 Ca 0.13 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 2jiy h LEU 114 Cb 0.18 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2jiy h LEU 114 CO -0.23 0.49 0.24 -0.25 0.09 0.00 0.00 178.44 178.78 2jiy h TRP 115 N 0.65 1.07 -0.34 1.13 7.01 -1.60 -0.15 115.95 123.71 2jiy h TRP 115 Ca 0.16 -0.09 -0.15 0.00 2.11 0.00 0.00 58.89 60.93 2jiy h TRP 115 Cb 0.07 -0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 26.80 2jiy h TRP 115 CO 0.00 0.83 -0.37 -0.07 -2.79 0.00 0.00 178.44 176.04 2jiy h LEU 116 N 1.01 0.86 0.05 0.65 3.38 -0.57 -0.56 115.31 120.12 2jiy h LEU 116 Ca 0.23 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 2jiy h LEU 116 Cb 0.24 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2jiy h LEU 116 CO -0.01 1.13 -0.02 0.40 0.09 0.00 0.00 178.44 180.03 2jiy h ILE 117 N 0.67 1.11 -0.50 1.22 2.04 -1.03 -1.04 117.51 119.98 2jiy h ILE 117 Ca 0.06 -0.49 0.08 0.00 1.00 0.00 0.00 64.86 65.51 2jiy h ILE 117 Cb 0.93 1.44 -0.07 0.00 -0.74 0.00 0.00 36.82 38.38 2jiy h ILE 117 CO 0.09 0.13 0.11 0.00 0.00 0.00 0.00 178.15 178.47 2jiy h ALA 118 N 0.66 0.57 -0.51 1.87 0.00 -0.96 -2.29 119.26 118.60 2jiy h ALA 118 Ca -0.01 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2jiy h ALA 118 Cb 0.25 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2jiy h ALA 118 CO 0.01 -0.30 0.07 0.77 0.00 0.00 0.00 179.25 179.79 2jiy h SER 119 N 0.24 0.77 -0.15 0.00 0.02 -1.00 -1.74 113.55 111.71 2jiy h SER 119 Ca 0.25 -0.16 0.02 0.00 -0.84 0.00 0.00 61.79 61.05 2jiy h SER 119 Cb 0.33 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 2jiy h SER 119 CO -0.32 0.80 0.04 0.15 -1.14 0.00 0.00 176.83 176.35 2jiy h PHE 120 N 0.78 0.07 -0.54 3.45 3.57 -0.65 0.22 116.94 123.83 2jiy h PHE 120 Ca 0.16 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.67 2jiy h PHE 120 Cb 0.37 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 2jiy h PHE 120 CO 0.02 0.03 0.34 0.74 -2.23 0.00 0.00 178.31 177.21 2jiy h PHE 121 N 0.10 0.69 -0.28 0.41 0.04 -1.10 -1.29 116.94 115.51 2jiy h PHE 121 Ca 0.06 0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.76 2jiy h PHE 121 Cb 0.05 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 37.96 2jiy h PHE 121 CO -0.12 0.45 -0.14 1.98 -0.60 0.00 0.00 178.31 179.88 2jiy h MET 122 N 0.74 0.60 0.11 1.51 4.05 -0.79 -0.74 114.93 120.40 2jiy h MET 122 Ca 0.20 -0.26 0.02 0.00 -0.28 0.00 0.00 59.70 59.37 2jiy h MET 122 Cb -0.05 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.71 2jiy h MET 122 CO -0.04 0.83 -0.21 0.35 0.23 0.00 0.00 176.91 178.08 2jiy h PHE 123 N 0.34 -0.54 -0.62 1.39 3.57 -0.36 0.17 116.94 120.88 2jiy h PHE 123 Ca 0.06 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 2jiy h PHE 123 Cb 0.66 0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.59 2jiy h PHE 123 CO 0.06 -0.30 0.38 0.28 -2.23 0.00 0.00 178.31 176.50 2jiy h VAL 124 N -0.39 1.18 0.11 1.41 2.07 -1.26 -1.75 116.25 117.62 2jiy h VAL 124 Ca 0.03 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.17 2jiy h VAL 124 Cb 0.41 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 2jiy h VAL 124 CO -0.12 0.18 -0.17 0.00 0.02 0.00 0.00 177.57 177.48 2jiy h ALA 125 N 1.20 -0.30 -0.26 1.67 0.00 -0.78 -1.26 119.26 119.53 2jiy h ALA 125 Ca 0.22 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 2jiy h ALA 125 Cb -0.03 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2jiy h ALA 125 CO -0.04 -0.70 0.02 0.28 0.00 0.00 0.00 179.25 178.81 2jiy h VAL 126 N -0.34 1.24 -0.29 0.00 2.07 -0.86 -1.18 116.25 116.89 2jiy h VAL 126 Ca 0.02 -0.83 -0.17 0.00 0.82 0.00 0.00 66.70 66.54 2jiy h VAL 126 Cb 0.35 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 2jiy h VAL 126 CO -0.09 0.26 -0.48 -0.50 0.02 0.00 0.00 177.57 176.79 2jiy h TRP 127 N 0.24 0.97 -0.51 1.57 4.06 -1.29 -0.83 115.95 120.15 2jiy h TRP 127 Ca 0.08 -0.32 -0.06 0.00 2.06 0.00 0.00 58.89 60.64 2jiy h TRP 127 Cb 0.37 -0.19 -0.02 0.00 -1.00 0.00 0.00 29.16 28.31 2jiy h TRP 127 CO 0.03 1.11 0.06 0.66 -3.56 0.00 0.00 178.44 176.74 2jiy h SER 128 N 0.62 0.77 -0.51 -3.49 4.64 -1.21 -1.77 113.55 112.61 2jiy h SER 128 Ca 0.03 -0.17 -0.03 0.00 -0.47 0.00 0.00 61.79 61.15 2jiy h SER 128 Cb 1.06 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.92 2jiy h SER 128 CO 0.10 0.80 0.21 -0.25 -0.87 0.00 0.00 176.83 176.83 2jiy h TRP 129 N 0.77 0.81 -0.18 4.77 2.91 -0.85 -2.05 115.95 122.13 2jiy h TRP 129 Ca 0.16 -0.04 -0.01 0.00 1.13 0.00 0.00 58.89 60.13 2jiy h TRP 129 Cb 0.39 -0.25 -0.01 0.00 -0.51 0.00 0.00 29.16 28.78 2jiy h TRP 129 CO 0.02 0.63 0.08 2.35 -1.03 0.00 0.00 178.44 180.49 2jiy h TRP 130 N 0.79 0.27 -0.97 2.65 7.01 -0.61 -1.15 115.95 123.95 2jiy h TRP 130 Ca 0.19 -0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.23 2jiy h TRP 130 Cb 0.17 -0.08 -0.06 0.00 -2.10 0.00 0.00 29.16 27.08 2jiy h TRP 130 CO 0.01 0.32 0.62 0.78 -2.79 0.00 0.00 178.44 177.38 2jiy h GLY 131 N 0.15 1.46 1.05 2.65 0.00 -1.13 -2.08 103.07 105.17 2jiy h GLY 131 Ca 0.06 -0.46 -0.07 0.00 0.00 0.00 0.00 47.33 46.86 2jiy h GLY 131 CO -0.01 0.34 0.13 -0.09 0.00 0.00 0.00 176.54 176.91 2jiy h ARG 132 N 1.14 1.05 -0.97 4.80 2.43 -1.24 0.13 114.38 121.73 2jiy h ARG 132 Ca 0.41 -0.27 0.02 0.00 -0.81 0.00 0.00 59.98 59.33 2jiy h ARG 132 Cb 0.13 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 2jiy h ARG 132 CO -0.16 0.96 0.64 1.15 -1.51 0.00 0.00 179.97 181.05 2jiy h THR 133 N 0.97 1.22 0.09 0.20 2.02 -0.74 -0.89 112.91 115.77 2jiy h THR 133 Ca 0.20 -0.44 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 2jiy h THR 133 Cb 0.40 -0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.64 2jiy h THR 133 CO 0.01 0.23 -0.04 0.22 0.37 0.00 0.00 175.52 176.31 2jiy h TYR 134 N 1.28 -0.11 -0.34 3.16 5.03 -0.76 -3.22 116.97 122.01 2jiy h TYR 134 Ca 0.37 -0.00 -0.10 0.00 2.58 0.00 0.00 58.73 61.57 2jiy h TYR 134 Cb -0.09 0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.21 2jiy h TYR 134 CO -0.00 0.19 -0.21 -0.07 -1.32 0.00 0.00 178.16 176.74 2jiy h LEU 135 N -0.42 0.65 -0.91 2.82 3.38 -0.59 -1.97 115.31 118.27 2jiy h LEU 135 Ca -0.01 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.64 2jiy h LEU 135 Cb 0.36 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2jiy h LEU 135 CO 0.02 0.86 -0.22 0.03 0.09 0.00 0.00 178.44 179.22 2jiy h ARG 136 N 0.57 0.54 -0.31 1.13 2.47 -1.28 -1.17 114.38 116.34 2jiy h ARG 136 Ca 0.09 -0.20 -0.03 0.00 -1.26 0.00 0.00 59.98 58.57 2jiy h ARG 136 Cb 0.68 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.95 2jiy h ARG 136 CO 0.05 0.73 0.07 0.00 0.56 0.00 0.00 179.97 181.38 2jiy h ALA 137 N 1.28 0.41 -0.62 0.04 0.00 -1.51 -2.98 119.26 115.88 2jiy h ALA 137 Ca 0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2jiy h ALA 137 Cb 0.65 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2jiy h ALA 137 CO 0.05 0.09 0.29 0.37 0.00 0.00 0.00 179.25 180.04 2jiy h GLN 138 N 0.34 0.89 -0.04 0.00 4.15 -1.16 0.19 115.11 119.49 2jiy h GLN 138 Ca 0.10 -0.14 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 2jiy h GLN 138 Cb 0.31 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 27.84 2jiy h GLN 138 CO 0.00 0.72 -0.08 0.00 -1.93 0.00 0.00 178.83 177.54 2jiy h ALA 139 N 1.12 1.79 -0.09 3.38 0.00 -1.24 -1.78 119.26 122.45 2jiy h ALA 139 Ca 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2jiy h ALA 139 Cb 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2jiy h ALA 139 CO -0.03 0.16 0.00 1.28 0.00 0.00 0.00 179.25 180.66 2jiy n LEU 140 N -4.41 1.91 -0.17 0.00 4.77 -0.86 -1.23 117.00 117.01 2jiy n LEU 140 Ca -0.02 -0.70 -0.02 0.00 -0.03 0.00 0.00 56.01 55.23 2jiy n LEU 140 Cb 0.18 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.21 2jiy n LEU 140 CO 0.36 0.35 -0.02 0.61 -1.33 0.00 0.00 177.39 177.36 2jiy n GLY 141 N 1.21 0.53 3.92 -0.72 0.00 -0.67 -4.95 105.19 104.52 2jiy n GLY 141 Ca 0.17 -0.28 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 2jiy n GLY 141 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jiy s MET 142 N -1.28 2.96 0.98 1.61 1.00 -0.02 -4.98 119.30 119.56 2jiy s MET 142 Ca 0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 55.69 55.54 2jiy s MET 142 Cb 0.00 -2.30 0.18 0.00 0.00 0.00 0.00 34.83 32.70 2jiy s MET 142 CO 0.00 -0.64 1.08 0.20 0.00 0.00 0.00 175.02 175.67 2jiy s GLY 143 N -4.29 1.61 -0.31 -0.03 0.00 -1.26 -4.41 107.32 98.63 2jiy s GLY 143 Ca 0.53 -0.00 0.10 0.00 0.00 0.00 0.00 44.72 45.35 2jiy s GLY 143 CO 0.44 0.55 1.73 0.28 0.00 0.00 0.00 173.10 176.10 2jiy n LYS 144 N -4.23 3.26 -0.37 2.90 4.76 -1.26 -4.62 118.16 118.61 2jiy n LYS 144 Ca 0.07 -3.07 -0.02 0.00 -2.87 0.00 0.00 58.31 52.42 2jiy n LYS 144 Cb 0.55 -2.12 0.12 0.00 -1.84 0.00 0.00 35.03 31.73 2jiy n LYS 144 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2jiy h HIS 145 N 2.21 1.25 -0.41 2.13 3.86 -1.98 -0.51 115.15 121.69 2jiy h HIS 145 Ca 0.26 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.47 2jiy h HIS 145 Cb 2.19 -0.42 -0.02 0.00 1.06 0.00 0.00 27.41 30.22 2jiy h HIS 145 CO 1.19 0.79 0.17 1.15 0.86 0.00 0.00 177.93 182.08 2jiy h THR 146 N 1.34 1.20 -0.69 2.45 2.02 -1.94 0.62 112.91 117.91 2jiy h THR 146 Ca 0.36 -0.60 -0.07 0.00 0.77 0.00 0.00 66.41 66.87 2jiy h THR 146 Cb -0.15 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 2jiy h THR 146 CO -0.08 0.22 0.14 0.00 0.37 0.00 0.00 175.52 176.18 2jiy h ALA 147 N 1.01 0.91 -0.22 6.16 0.00 -1.67 -0.03 119.26 125.42 2jiy h ALA 147 Ca 0.14 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2jiy h ALA 147 Cb 0.18 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2jiy h ALA 147 CO -0.01 0.66 0.04 -1.49 0.00 0.00 0.00 179.25 178.45 2jiy h TRP 148 N 1.05 0.38 -0.38 0.00 -0.00 -0.78 -2.27 115.95 113.96 2jiy h TRP 148 Ca 0.21 -0.05 0.05 0.00 -0.00 0.00 0.00 58.89 59.10 2jiy h TRP 148 Cb 0.40 -0.11 -0.05 0.00 -0.00 0.00 0.00 29.16 29.41 2jiy h TRP 148 CO 0.03 0.49 0.11 2.35 -0.00 0.00 0.00 178.44 181.42 2jiy h TRP 149 N 0.17 0.20 -0.52 0.49 7.01 -0.77 -2.57 115.95 119.95 2jiy h TRP 149 Ca 0.07 0.02 0.08 0.00 2.11 0.00 0.00 58.89 61.17 2jiy h TRP 149 Cb 0.30 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.30 2jiy h TRP 149 CO 0.02 0.07 0.35 0.35 -2.79 0.00 0.00 178.44 176.44 2jiy h PHE 150 N 0.26 0.40 -0.78 2.65 3.57 -0.80 0.66 116.94 122.90 2jiy h PHE 150 Ca 0.18 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 2jiy h PHE 150 Cb 0.18 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.75 2jiy h PHE 150 CO -0.16 0.20 0.47 1.25 -2.23 0.00 0.00 178.31 177.84 2jiy h LEU 151 N 0.39 0.94 -0.87 0.59 5.85 -0.99 0.04 115.31 121.25 2jiy h LEU 151 Ca 0.24 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 2jiy h LEU 151 Cb 0.43 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 2jiy h LEU 151 CO -0.06 0.72 0.06 -1.28 -0.34 0.00 0.00 178.44 177.55 2jiy h SER 152 N 1.08 0.86 -0.23 1.25 0.87 -0.82 -0.06 113.55 116.50 2jiy h SER 152 Ca 0.28 -0.19 -0.10 0.00 -1.23 0.00 0.00 61.79 60.55 2jiy h SER 152 Cb -0.04 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.69 2jiy h SER 152 CO -0.05 0.88 -0.25 0.00 -0.53 0.00 0.00 176.83 176.88 2jiy h ALA 153 N 1.22 0.34 -0.72 6.23 0.00 -1.25 -3.10 119.26 121.98 2jiy h ALA 153 Ca 0.17 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 54.75 2jiy h ALA 153 Cb 0.41 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2jiy h ALA 153 CO 0.01 0.32 0.47 0.82 0.00 0.00 0.00 179.25 180.87 2jiy h ILE 154 N 0.27 1.06 -0.27 0.00 2.04 -0.85 -2.49 117.51 117.26 2jiy h ILE 154 Ca 0.03 -0.27 0.05 0.00 1.00 0.00 0.00 64.86 65.67 2jiy h ILE 154 Cb 0.82 0.19 -0.08 0.00 -0.74 0.00 0.00 36.82 37.01 2jiy h ILE 154 CO 0.06 0.15 -0.44 -0.25 0.00 0.00 0.00 178.15 177.67 2jiy h TRP 155 N 0.80 -1.26 -0.45 1.37 -0.00 -0.92 0.22 115.95 115.70 2jiy h TRP 155 Ca 0.30 0.06 0.00 0.00 -0.00 0.00 0.00 58.89 59.25 2jiy h TRP 155 Cb 0.17 0.59 -0.02 0.00 -0.00 0.00 0.00 29.16 29.90 2jiy h TRP 155 CO -0.00 -0.46 0.30 1.25 -0.00 0.00 0.00 178.44 179.53 2jiy h LEU 156 N -0.41 0.52 -0.32 0.65 5.85 -1.47 -0.02 115.31 120.10 2jiy h LEU 156 Ca 0.10 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.83 2jiy h LEU 156 Cb 0.61 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 2jiy h LEU 156 CO -0.49 0.38 0.15 -0.25 -0.34 0.00 0.00 178.44 177.89 2jiy h TRP 157 N 0.61 0.28 -0.62 1.25 7.01 -1.28 -1.15 115.95 122.05 2jiy h TRP 157 Ca 0.17 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.17 2jiy h TRP 157 Cb -0.07 -0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 26.88 2jiy h TRP 157 CO -0.04 0.15 0.36 0.52 -2.79 0.00 0.00 178.44 176.64 2jiy h MET 158 N 0.32 0.86 -0.16 2.65 2.86 -0.24 -2.00 114.93 119.21 2jiy h MET 158 Ca 0.13 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2jiy h MET 158 Cb 0.06 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 2jiy h MET 158 CO -0.10 0.63 0.10 0.28 1.06 0.00 0.00 176.91 178.88 2jiy h VAL 159 N 0.85 1.03 -0.32 -2.22 2.07 -0.73 0.14 116.25 117.08 2jiy h VAL 159 Ca 0.22 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.66 2jiy h VAL 159 Cb 0.00 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 2jiy h VAL 159 CO -0.04 0.04 0.14 -0.07 0.02 0.00 0.00 177.57 177.66 2jiy h LEU 160 N 0.21 0.42 0.00 2.57 3.38 -1.00 -1.62 115.31 119.28 2jiy h LEU 160 Ca 0.06 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2jiy h LEU 160 Cb -0.02 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2jiy h LEU 160 CO -0.02 0.45 -1.17 0.61 0.09 0.00 0.00 178.44 178.39 2jiy n GLY 161 N -0.82 -0.75 1.53 0.83 0.00 -0.77 -4.31 105.19 100.90 2jiy n GLY 161 Ca -0.02 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2jiy n GLY 161 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2jiy n PHE 162 N -1.66 -0.89 -0.02 1.61 7.35 0.27 -4.78 117.46 119.34 2jiy n PHE 162 Ca 0.01 0.16 -0.13 0.00 -0.76 0.00 0.00 57.45 56.73 2jiy n PHE 162 Cb 0.35 0.29 -0.09 0.00 0.35 0.00 0.00 39.48 40.37 2jiy n PHE 162 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 2jiy h ILE 163 N 0.00 1.38 0.10 -2.13 2.04 -1.01 -2.11 117.51 115.78 2jiy h ILE 163 Ca 0.00 -1.16 -0.01 0.00 1.00 0.00 0.00 64.86 64.70 2jiy h ILE 163 Cb 0.00 2.09 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 2jiy h ILE 163 CO 0.00 0.31 -0.05 -0.09 0.00 0.00 0.00 178.15 178.32 2jiy h ARG 164 N -0.39 -0.13 -0.67 2.37 2.43 -1.49 -0.81 114.38 115.68 2jiy h ARG 164 Ca 0.00 0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.32 2jiy h ARG 164 Cb 0.52 0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 30.00 2jiy h ARG 164 CO 0.01 0.00 0.15 -1.35 -1.51 0.00 0.00 179.97 177.27 2jiy h PRO 165 N -0.24 0.26 0.01 0.20 0.11 -1.75 0.35 132.00 130.93 2jiy h PRO 165 Ca -0.01 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.09 2jiy h PRO 165 Cb 0.20 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 2jiy h PRO 165 CO 0.02 0.17 -0.03 0.82 -0.21 0.00 0.00 178.00 178.77 2jiy h ILE 166 N 0.26 0.91 -0.14 4.15 2.04 -1.21 -0.01 117.51 123.52 2jiy h ILE 166 Ca 0.37 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.18 2jiy h ILE 166 Cb 0.59 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2jiy h ILE 166 CO -0.46 0.00 -0.13 -0.07 0.00 0.00 0.00 178.15 177.49 2jiy h LEU 167 N -0.06 0.20 -0.08 1.44 3.38 -0.53 -1.96 115.31 117.70 2jiy h LEU 167 Ca 0.01 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2jiy h LEU 167 Cb 0.08 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2jiy h LEU 167 CO -0.03 0.36 -0.08 0.23 0.09 0.00 0.00 178.44 179.00 2jiy n MET 168 N -4.28 0.40 -0.69 1.13 2.81 0.12 -4.96 117.12 111.65 2jiy n MET 168 Ca -0.01 -0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.80 2jiy n MET 168 Cb 0.26 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 2jiy n MET 168 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jiy n GLY 169 N 1.34 0.71 3.49 3.03 0.00 -0.08 -5.04 105.19 108.64 2jiy n GLY 169 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 2jiy n GLY 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jiy s SER 170 N -2.28 -0.62 0.54 1.61 1.04 -0.79 -3.63 113.70 109.58 2jiy s SER 170 Ca 0.00 0.60 0.32 0.00 0.48 0.00 0.00 55.95 57.36 2jiy s SER 170 Cb 0.00 0.53 1.27 0.00 0.10 0.00 0.00 66.02 67.91 2jiy s SER 170 CO 0.00 -0.63 1.95 -0.50 0.98 0.00 0.00 173.24 175.04 2jiy h TRP 171 N 2.97 0.00 -0.06 5.02 4.06 -1.65 -3.13 115.95 123.17 2jiy h TRP 171 Ca -0.28 0.00 0.02 0.00 2.06 0.00 0.00 58.89 60.69 2jiy h TRP 171 Cb 1.16 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.32 2jiy h TRP 171 CO 0.38 0.01 0.22 0.66 -3.56 0.00 0.00 178.44 176.15 2jiy h SER 172 N 0.00 0.00 1.10 -3.49 4.64 -1.78 -0.64 113.55 113.38 2jiy h SER 172 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jiy h SER 172 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 2jiy h SER 172 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 2jiy n GLU 173 N -3.16 0.13 -1.97 4.77 -0.58 -1.18 -4.91 120.64 113.74 2jiy n GLU 173 Ca -0.01 0.18 -0.28 0.00 -0.42 0.00 0.00 57.16 56.62 2jiy n GLU 173 Cb 0.29 -1.68 0.08 0.00 -0.57 0.00 0.00 31.44 29.57 2jiy n GLU 173 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2jiy s ALA 174 N -3.09 2.78 0.05 0.62 0.00 -0.25 -4.84 121.76 117.04 2jiy s ALA 174 Ca 0.10 -0.69 -0.24 0.00 0.00 0.00 0.00 51.96 51.13 2jiy s ALA 174 Cb 0.14 -2.88 -0.06 0.00 0.00 0.00 0.00 23.12 20.32 2jiy s ALA 174 CO 0.51 -1.55 0.75 0.08 0.00 0.00 0.00 175.76 175.54 2jiy s VAL 175 N -3.49 4.71 0.63 0.00 1.01 -1.26 -4.86 120.40 117.13 2jiy s VAL 175 Ca 0.61 1.60 -0.13 0.00 0.00 0.00 0.00 61.98 64.06 2jiy s VAL 175 Cb -0.11 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 2jiy s VAL 175 CO 0.48 0.39 1.04 -2.16 0.00 0.00 0.00 175.10 174.85 2jiy s PRO 176 N -0.21 3.36 -0.65 2.72 0.04 -1.26 -4.83 135.00 134.16 2jiy s PRO 176 Ca 0.37 0.94 -0.17 0.00 0.04 0.00 0.00 61.00 62.18 2jiy s PRO 176 Cb -0.21 -2.05 0.13 0.00 0.04 0.00 0.00 34.50 32.42 2jiy s PRO 176 CO 0.23 -0.76 0.70 0.71 0.04 0.00 0.00 177.00 177.91 2jiy s TYR 177 N -2.92 3.21 -0.18 0.56 2.02 -0.03 -4.47 117.35 115.55 2jiy s TYR 177 Ca 0.58 -1.27 -0.31 0.00 -0.37 0.00 0.00 57.07 55.70 2jiy s TYR 177 Cb -0.13 -3.95 0.14 0.00 -0.40 0.00 0.00 41.96 37.63 2jiy s TYR 177 CO 0.48 -1.18 1.12 0.20 -1.57 0.00 0.00 175.55 174.60 2jiy s GLY 178 N 3.36 -0.22 -0.01 0.71 0.00 -1.26 -1.02 107.32 108.88 2jiy s GLY 178 Ca 0.12 1.95 -0.15 0.00 0.00 0.00 0.00 44.72 46.65 2jiy s GLY 178 CO 0.01 0.81 0.79 -2.22 0.00 0.00 0.00 173.10 172.50 2jiy h ILE 179 N 2.21 0.00 -0.38 0.90 1.08 -1.75 -2.86 117.51 116.71 2jiy h ILE 179 Ca -0.14 -0.29 -0.15 0.00 -0.39 0.00 0.00 64.86 63.89 2jiy h ILE 179 Cb 1.18 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.92 2jiy h ILE 179 CO 0.27 0.00 -0.36 -0.26 -0.69 0.00 0.00 178.15 177.11 2jiy h PHE 180 N -0.82 1.07 -0.88 1.37 0.04 -1.61 -3.26 116.94 112.85 2jiy h PHE 180 Ca -0.05 -0.31 0.02 0.00 2.80 0.00 0.00 57.97 60.43 2jiy h PHE 180 Cb 0.40 -0.23 -0.05 0.00 2.20 0.00 0.00 35.95 38.28 2jiy h PHE 180 CO 0.04 1.12 0.58 0.66 -0.60 0.00 0.00 178.31 180.11 2jiy h SER 181 N 0.74 0.99 1.16 2.17 4.64 -1.78 -0.07 113.55 121.41 2jiy h SER 181 Ca 0.07 -0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.28 2jiy h SER 181 Cb 0.94 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.77 2jiy h SER 181 CO 0.09 0.70 -0.40 1.12 -0.87 0.00 0.00 176.83 177.47 2jiy h HIS 182 N 1.16 0.00 -0.28 4.77 2.07 -1.56 0.29 115.15 121.60 2jiy h HIS 182 Ca 0.33 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.73 2jiy h HIS 182 Cb -0.08 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 29.90 2jiy h HIS 182 CO -0.00 0.40 -0.29 -0.07 -3.07 0.00 0.00 177.93 174.90 2jiy h LEU 183 N 0.00 0.74 -0.76 6.12 3.38 -1.42 -1.82 115.31 121.56 2jiy h LEU 183 Ca -0.00 -0.48 0.01 0.00 0.09 0.00 0.00 57.88 57.50 2jiy h LEU 183 Cb 1.09 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 2jiy h LEU 183 CO 0.05 1.07 0.50 0.44 0.09 0.00 0.00 178.44 180.59 2jiy h ASP 184 N 0.43 0.86 -0.60 -0.43 3.32 -0.58 -1.45 116.42 117.98 2jiy h ASP 184 Ca 0.04 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 2jiy h ASP 184 Cb 0.86 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.17 2jiy h ASP 184 CO 0.07 0.62 0.37 -0.25 -1.72 0.00 0.00 179.24 178.34 2jiy h TRP 185 N 1.02 0.78 -0.19 4.55 7.01 -0.90 -0.47 115.95 127.74 2jiy h TRP 185 Ca 0.28 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.28 2jiy h TRP 185 Cb -0.11 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 26.68 2jiy h TRP 185 CO -0.02 0.52 0.09 1.15 -2.79 0.00 0.00 178.44 177.39 2jiy h THR 186 N 0.81 1.13 0.02 2.65 2.02 -0.83 0.17 112.91 118.88 2jiy h THR 186 Ca 0.22 -0.38 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 2jiy h THR 186 Cb -0.04 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 2jiy h THR 186 CO -0.04 0.13 -0.01 -1.13 0.37 0.00 0.00 175.52 174.84 2jiy h ASN 187 N 0.19 -0.02 -0.79 4.18 -0.00 -1.19 -2.77 115.58 115.17 2jiy h ASN 187 Ca 0.07 -0.00 0.02 0.00 -0.00 0.00 0.00 56.30 56.39 2jiy h ASN 187 Cb 0.12 0.01 -0.04 0.00 -0.00 0.00 0.00 38.32 38.40 2jiy h ASN 187 CO -0.01 -0.01 0.52 0.78 -0.00 0.00 0.00 177.43 178.71 2jiy h ASN 188 N -0.03 0.88 -0.55 1.15 2.35 -0.92 -2.33 115.58 116.12 2jiy h ASN 188 Ca -0.00 -0.02 0.04 0.00 -0.55 0.00 0.00 56.30 55.77 2jiy h ASN 188 Cb 0.02 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.14 2jiy h ASN 188 CO 0.00 0.62 0.30 0.15 -1.65 0.00 0.00 177.43 176.86 2jiy h PHE 189 N 1.02 0.56 -0.31 1.19 3.04 -0.39 -0.58 116.94 121.47 2jiy h PHE 189 Ca 0.30 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.22 2jiy h PHE 189 Cb -0.04 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 38.29 2jiy h PHE 189 CO -0.00 0.29 0.00 1.03 -2.02 0.00 0.00 178.31 177.61 2jiy h SER 190 N 0.59 0.54 -0.00 0.41 0.87 -1.29 -2.39 113.55 112.27 2jiy h SER 190 Ca 0.24 -0.30 0.01 0.00 -1.23 0.00 0.00 61.79 60.50 2jiy h SER 190 Cb 0.11 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 2jiy h SER 190 CO -0.14 0.71 -0.03 -0.07 -0.53 0.00 0.00 176.83 176.76 2jiy h LEU 191 N 0.35 -0.09 -1.83 2.23 3.38 -1.10 0.15 115.31 118.40 2jiy h LEU 191 Ca 0.09 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2jiy h LEU 191 Cb 0.43 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2jiy h LEU 191 CO 0.02 -0.05 -0.11 0.58 0.09 0.00 0.00 178.44 178.97 2jiy h VAL 192 N -0.05 0.99 -0.65 1.22 2.07 -1.13 -2.80 116.25 115.90 2jiy h VAL 192 Ca 0.02 -0.40 -0.14 0.00 0.82 0.00 0.00 66.70 67.00 2jiy h VAL 192 Cb 0.07 1.22 -0.09 0.00 -1.52 0.00 0.00 31.29 30.98 2jiy h VAL 192 CO -0.04 0.11 0.17 1.41 0.02 0.00 0.00 177.57 179.24 2jiy n HIS 193 N -4.28 2.22 -2.11 1.57 8.25 -0.90 -4.83 115.22 115.14 2jiy n HIS 193 Ca -0.03 -1.07 -0.06 0.00 -0.26 0.00 0.00 57.72 56.30 2jiy n HIS 193 Cb 0.19 -0.61 -0.00 0.00 1.12 0.00 0.00 29.99 30.68 2jiy n HIS 193 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jiy n GLY 194 N -0.01 0.11 0.92 -1.41 0.00 -0.94 -1.08 105.19 102.78 2jiy n GLY 194 Ca 0.36 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2jiy n GLY 194 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jiy n ASN 195 N 0.77 -1.97 0.14 1.61 2.85 0.50 -3.03 115.26 116.13 2jiy n ASN 195 Ca -0.08 0.00 0.12 0.00 -0.11 0.00 0.00 54.58 54.52 2jiy n ASN 195 Cb 0.56 -0.99 0.52 0.00 1.24 0.00 0.00 39.78 41.11 2jiy n ASN 195 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2jiy n LEU 196 N 0.00 0.70 0.25 1.20 4.32 -1.26 -1.66 117.00 120.55 2jiy n LEU 196 Ca 0.00 0.69 0.17 0.00 -0.02 0.00 0.00 56.01 56.85 2jiy n LEU 196 Cb 0.00 -0.62 0.86 0.00 -1.62 0.00 0.00 43.42 42.04 2jiy n LEU 196 CO 0.00 -0.64 1.00 -0.26 -1.22 0.00 0.00 177.39 176.28 2jiy h PHE 197 N 0.00 0.00 -0.13 -1.77 0.04 -1.95 -0.50 116.94 112.62 2jiy h PHE 197 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2jiy h PHE 197 Cb 0.32 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.47 2jiy h PHE 197 CO 0.00 0.00 0.00 0.66 -0.60 0.00 0.00 178.31 178.37 2jiy n TYR 198 N -2.70 0.16 -2.99 -0.55 4.01 -0.67 -4.81 117.16 109.62 2jiy n TYR 198 Ca -0.02 -0.08 -0.42 0.00 -0.16 0.00 0.00 57.90 57.22 2jiy n TYR 198 Cb 0.10 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.08 2jiy n TYR 198 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2jiy s ASN 199 N -1.77 6.50 0.42 7.72 3.84 -0.20 -4.73 114.94 126.72 2jiy s ASN 199 Ca 0.34 0.24 0.10 0.00 0.21 0.00 0.00 52.86 53.74 2jiy s ASN 199 Cb 0.20 -2.38 0.88 0.00 -0.55 0.00 0.00 41.25 39.40 2jiy s ASN 199 CO 0.30 -0.74 2.00 1.55 -2.79 0.00 0.00 177.10 177.42 2jiy h PRO 200 N 8.56 0.30 0.00 0.43 0.13 -1.87 -0.73 132.00 138.82 2jiy h PRO 200 Ca -0.25 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 64.77 2jiy h PRO 200 Cb 1.10 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 2jiy h PRO 200 CO 0.91 0.31 -0.32 0.74 -0.23 0.00 0.00 178.00 179.41 2jiy h PHE 201 N 0.30 0.00 -0.21 1.56 0.04 -1.92 -1.64 116.94 115.07 2jiy h PHE 201 Ca 0.07 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.77 2jiy h PHE 201 Cb 0.17 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.32 2jiy h PHE 201 CO 0.00 0.32 -0.15 1.25 -0.60 0.00 0.00 178.31 179.13 2jiy h HIS 202 N 0.00 0.57 -0.66 -0.55 2.76 -1.43 -0.96 115.15 114.88 2jiy h HIS 202 Ca -0.00 -0.16 0.07 0.00 -2.20 0.00 0.00 60.37 58.08 2jiy h HIS 202 Cb 0.77 -0.12 -0.06 0.00 1.55 0.00 0.00 27.41 29.54 2jiy h HIS 202 CO 0.00 0.80 0.34 0.78 -1.30 0.00 0.00 177.93 178.55 2jiy h GLY 203 N 0.17 0.97 0.89 5.26 0.00 -1.19 -1.43 103.07 107.74 2jiy h GLY 203 Ca 0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 2jiy h GLY 203 CO 0.04 0.11 0.07 1.41 0.00 0.00 0.00 176.54 178.17 2jiy h LEU 204 N 0.62 0.44 -0.82 3.11 3.38 -1.24 -1.39 115.31 119.41 2jiy h LEU 204 Ca 0.31 -0.23 0.10 0.00 0.09 0.00 0.00 57.88 58.15 2jiy h LEU 204 Cb 0.26 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 2jiy h LEU 204 CO -0.22 0.56 0.46 -1.28 0.09 0.00 0.00 178.44 178.05 2jiy h SER 205 N 0.30 0.65 -0.24 -0.43 0.87 -0.78 -0.86 113.55 113.06 2jiy h SER 205 Ca 0.09 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 2jiy h SER 205 Cb 0.29 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 2jiy h SER 205 CO 0.00 0.36 0.09 0.40 -0.53 0.00 0.00 176.83 177.15 2jiy h ILE 206 N 0.76 1.17 -0.67 2.23 2.04 -1.06 -0.71 117.51 121.27 2jiy h ILE 206 Ca 0.40 -0.52 0.14 0.00 1.00 0.00 0.00 64.86 65.88 2jiy h ILE 206 Cb 0.39 1.08 -0.10 0.00 -0.74 0.00 0.00 36.82 37.45 2jiy h ILE 206 CO -0.26 0.17 0.13 0.00 0.00 0.00 0.00 178.15 178.19 2jiy h ALA 207 N 0.93 0.81 0.00 1.87 0.00 -0.10 0.24 119.26 123.01 2jiy h ALA 207 Ca 0.08 0.16 -0.14 0.00 0.00 0.00 0.00 54.91 55.01 2jiy h ALA 207 Cb 0.18 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2jiy h ALA 207 CO -0.01 -0.34 -0.66 0.74 0.00 0.00 0.00 179.25 178.99 2jiy h PHE 208 N 0.24 0.00 -0.01 0.00 0.04 -1.03 0.21 116.94 116.39 2jiy h PHE 208 Ca 0.37 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.13 2jiy h PHE 208 Cb 0.59 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.74 2jiy h PHE 208 CO -0.28 0.66 -0.02 1.25 -0.60 0.00 0.00 178.31 179.33 2jiy h LEU 209 N 0.00 0.03 -0.79 1.54 5.85 -0.08 0.75 115.31 122.61 2jiy h LEU 209 Ca -0.01 -0.57 0.03 0.00 0.84 0.00 0.00 57.88 58.18 2jiy h LEU 209 Cb 1.22 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.19 2jiy h LEU 209 CO 0.09 0.59 0.50 1.88 -0.34 0.00 0.00 178.44 181.15 2jiy h TYR 210 N -0.53 0.93 -0.07 1.25 0.05 -0.59 -2.88 116.97 115.14 2jiy h TYR 210 Ca 0.00 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.75 2jiy h TYR 210 Cb 0.58 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 38.01 2jiy h TYR 210 CO 0.12 0.53 -0.24 0.78 -1.05 0.00 0.00 178.16 178.30 2jiy h GLY 211 N 0.97 0.12 1.32 3.88 0.00 -0.45 -0.41 103.07 108.50 2jiy h GLY 211 Ca 0.32 -0.08 -0.10 0.00 0.00 0.00 0.00 47.33 47.47 2jiy h GLY 211 CO -0.12 0.08 -0.13 1.76 0.00 0.00 0.00 176.54 178.13 2jiy h SER 212 N 0.10 0.79 -0.16 0.19 0.02 -0.63 0.15 113.55 114.01 2jiy h SER 212 Ca 0.02 -0.25 -0.14 0.00 -0.84 0.00 0.00 61.79 60.59 2jiy h SER 212 Cb 0.48 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.81 2jiy h SER 212 CO 0.03 0.93 -0.43 0.00 -1.14 0.00 0.00 176.83 176.23 2jiy h ALA 213 N 1.14 0.27 -0.38 3.77 0.00 -1.20 -1.03 119.26 121.83 2jiy h ALA 213 Ca 0.12 -0.47 0.06 0.00 0.00 0.00 0.00 54.91 54.62 2jiy h ALA 213 Cb 0.62 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 2jiy h ALA 213 CO 0.04 0.40 0.08 1.25 0.00 0.00 0.00 179.25 181.02 2jiy h LEU 214 N 0.23 0.02 -0.14 0.00 5.85 -1.01 -0.64 115.31 119.62 2jiy h LEU 214 Ca -0.01 0.06 -0.23 0.00 0.84 0.00 0.00 57.88 58.54 2jiy h LEU 214 Cb 1.04 0.08 0.01 0.00 0.37 0.00 0.00 40.66 42.17 2jiy h LEU 214 CO 0.09 0.05 -0.84 0.25 -0.34 0.00 0.00 178.44 177.64 2jiy h LEU 215 N 0.21 0.89 -0.37 2.25 5.85 -0.67 -0.72 115.31 122.74 2jiy h LEU 215 Ca 0.18 -0.62 -0.18 0.00 0.84 0.00 0.00 57.88 58.10 2jiy h LEU 215 Cb 0.21 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2jiy h LEU 215 CO -0.24 1.41 -0.81 0.15 -0.34 0.00 0.00 178.44 178.62 2jiy h PHE 216 N 0.48 0.29 -0.12 1.25 3.04 -1.14 0.99 116.94 121.74 2jiy h PHE 216 Ca -0.07 -0.15 0.02 0.00 3.98 0.00 0.00 57.97 61.75 2jiy h PHE 216 Cb 1.47 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 39.93 2jiy h PHE 216 CO 0.09 0.93 0.01 0.00 -2.02 0.00 0.00 178.31 177.31 2jiy h ALA 217 N 1.03 0.10 0.08 2.41 0.00 -1.03 0.10 119.26 121.95 2jiy h ALA 217 Ca -0.03 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2jiy h ALA 217 Cb 1.41 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 2jiy h ALA 217 CO 0.12 -0.45 -0.15 0.52 0.00 0.00 0.00 179.25 179.30 2jiy h MET 218 N 0.05 -0.28 -0.08 0.00 2.86 -0.85 -1.26 114.93 115.38 2jiy h MET 218 Ca 0.05 0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.66 2jiy h MET 218 Cb 0.05 0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.78 2jiy h MET 218 CO -0.08 -0.18 -0.16 1.25 1.06 0.00 0.00 176.91 178.80 2jiy h HIS 219 N -0.29 0.31 -0.50 -0.22 -0.00 -0.76 0.29 115.15 113.98 2jiy h HIS 219 Ca 0.03 -0.11 0.06 0.00 -0.00 0.00 0.00 60.37 60.34 2jiy h HIS 219 Cb 0.31 -0.06 -0.05 0.00 -0.00 0.00 0.00 27.41 27.61 2jiy h HIS 219 CO -0.17 0.76 0.21 0.78 -0.00 0.00 0.00 177.93 179.51 2jiy h GLY 220 N -0.23 0.68 0.99 5.26 0.00 -0.84 -0.49 103.07 108.44 2jiy h GLY 220 Ca 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 47.33 47.14 2jiy h GLY 220 CO 0.03 0.05 0.08 0.00 0.00 0.00 0.00 176.54 176.71 2jiy h ALA 221 N 1.30 0.67 0.11 3.60 0.00 -1.15 -1.68 119.26 122.11 2jiy h ALA 221 Ca 0.23 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2jiy h ALA 221 Cb 0.20 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2jiy h ALA 221 CO -0.20 0.40 -0.05 1.15 0.00 0.00 0.00 179.25 180.54 2jiy h THR 222 N 0.71 0.94 -0.81 0.00 2.02 -0.36 0.11 112.91 115.53 2jiy h THR 222 Ca 0.15 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 67.09 2jiy h THR 222 Cb 0.39 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.84 2jiy h THR 222 CO 0.01 0.05 0.35 0.40 0.37 0.00 0.00 175.52 176.69 2jiy h ILE 223 N -0.25 1.26 -0.69 3.11 1.08 -1.10 -1.39 117.51 119.54 2jiy h ILE 223 Ca -0.02 -0.79 -0.05 0.00 -0.39 0.00 0.00 64.86 63.62 2jiy h ILE 223 Cb 0.20 0.28 -0.03 0.00 -3.07 0.00 0.00 36.82 34.19 2jiy h ILE 223 CO 0.03 0.33 0.23 -0.07 -0.69 0.00 0.00 178.15 177.97 2jiy h LEU 224 N 1.16 0.98 -1.76 1.44 3.38 -1.09 -0.37 115.31 119.04 2jiy h LEU 224 Ca 0.27 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2jiy h LEU 224 Cb 0.18 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2jiy h LEU 224 CO -0.03 0.90 -0.13 0.00 0.09 0.00 0.00 178.44 179.27 2jiy h ALA 225 N 1.23 1.73 -0.36 1.53 0.00 0.14 -2.39 119.26 121.15 2jiy h ALA 225 Ca 0.23 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2jiy h ALA 225 Cb 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2jiy h ALA 225 CO -0.01 0.16 0.00 1.33 0.00 0.00 0.00 179.25 180.73 2jiy n VAL 226 N -4.31 1.65 0.28 0.00 0.24 -0.61 -4.52 118.33 111.05 2jiy n VAL 226 Ca -0.03 -1.38 0.17 0.00 -2.04 0.00 0.00 64.34 61.06 2jiy n VAL 226 Cb 0.20 0.14 0.77 0.00 -1.47 0.00 0.00 33.84 33.49 2jiy n VAL 226 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2jiy h SER 227 N 2.24 0.00 0.22 -1.34 4.64 -0.52 -1.38 113.55 117.41 2jiy h SER 227 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jiy h SER 227 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2jiy h SER 227 CO 0.13 0.03 0.00 -2.11 -0.87 0.00 0.00 176.83 174.00 2jiy n ARG 228 N -3.15 0.32 -0.39 4.77 1.85 -1.26 -1.96 116.66 116.84 2jiy n ARG 228 Ca -0.00 0.10 0.07 0.00 -1.00 0.00 0.00 57.85 57.01 2jiy n ARG 228 Cb 0.27 -1.50 0.13 0.00 -1.05 0.00 0.00 32.46 30.31 2jiy n ARG 228 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2jiy n PHE 229 N -1.21 0.00 -1.71 2.89 3.01 -0.58 -4.99 117.46 114.88 2jiy n PHE 229 Ca 0.09 -0.99 -0.07 0.00 1.01 0.00 0.00 57.45 57.49 2jiy n PHE 229 Cb 0.11 -0.17 -0.02 0.00 -0.01 0.00 0.00 39.48 39.40 2jiy n PHE 229 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jiy n GLY 230 N -1.02 0.48 0.38 1.37 0.00 -0.83 -4.43 105.19 101.15 2jiy n GLY 230 Ca 0.14 -0.64 0.17 0.00 0.00 0.00 0.00 46.02 45.70 2jiy n GLY 230 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2jiy h GLY 231 N 0.00 0.45 2.00 -0.02 0.00 -1.56 -2.42 103.07 101.52 2jiy h GLY 231 Ca -0.17 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2jiy h GLY 231 CO 0.22 0.04 0.00 -1.84 0.00 0.00 0.00 176.54 174.96 2jiy n GLU 232 N -4.44 0.02 -1.81 4.80 0.00 -1.26 -3.95 120.64 113.99 2jiy n GLU 232 Ca 0.13 0.12 -0.42 0.00 0.00 0.00 0.00 57.16 56.99 2jiy n GLU 232 Cb 0.56 -1.52 -0.00 0.00 0.00 0.00 0.00 31.44 30.47 2jiy n GLU 232 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2jiy n ARG 233 N -1.55 3.10 0.07 3.44 1.74 -0.91 -4.76 116.66 117.78 2jiy n ARG 233 Ca 0.05 -2.75 -0.06 0.00 -0.77 0.00 0.00 57.85 54.32 2jiy n ARG 233 Cb 0.28 -3.17 0.10 0.00 -1.02 0.00 0.00 32.46 28.65 2jiy n ARG 233 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2jiy h GLU 234 N 5.84 0.31 -0.29 5.56 5.08 -1.85 -2.40 114.58 126.82 2jiy h GLU 234 Ca 0.57 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.70 2jiy h GLU 234 Cb 0.60 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2jiy h GLU 234 CO 1.83 0.81 0.11 -0.07 -1.00 0.00 0.00 179.01 180.70 2jiy h LEU 235 N 0.23 0.40 -1.07 1.33 3.38 -1.94 -0.10 115.31 117.54 2jiy h LEU 235 Ca -0.01 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.70 2jiy h LEU 235 Cb 1.11 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2jiy h LEU 235 CO 0.10 0.46 -0.43 -0.08 0.09 0.00 0.00 178.44 178.58 2jiy h GLU 236 N 0.32 0.00 -0.09 1.13 4.57 -1.93 -1.86 114.58 116.71 2jiy h GLU 236 Ca 0.10 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.17 2jiy h GLU 236 Cb 0.19 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 2jiy h GLU 236 CO -0.01 0.43 -0.41 1.96 -1.18 0.00 0.00 179.01 179.81 2jiy h GLN 237 N 0.00 0.21 -0.29 1.92 1.08 -1.09 0.44 115.11 117.38 2jiy h GLN 237 Ca -0.00 -0.10 -0.05 0.00 -1.45 0.00 0.00 58.65 57.05 2jiy h GLN 237 Cb 0.83 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.25 2jiy h GLN 237 CO 0.06 0.59 0.00 0.82 -0.95 0.00 0.00 178.83 179.35 2jiy h ILE 238 N 0.18 1.26 0.00 2.54 2.04 -0.63 -2.29 117.51 120.60 2jiy h ILE 238 Ca 0.02 -0.93 -0.08 0.00 1.00 0.00 0.00 64.86 64.87 2jiy h ILE 238 Cb 0.81 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 2jiy h ILE 238 CO 0.06 0.30 -0.37 0.00 0.00 0.00 0.00 178.15 178.14 2jiy h ALA 239 N 0.83 0.96 -0.86 1.87 0.00 -1.08 -3.39 119.26 117.59 2jiy h ALA 239 Ca 0.08 -0.34 -0.21 0.00 0.00 0.00 0.00 54.91 54.44 2jiy h ALA 239 Cb 0.43 -0.06 -0.18 0.00 0.00 0.00 0.00 17.79 17.98 2jiy h ALA 239 CO 0.01 0.47 -0.54 -3.47 0.00 0.00 0.00 179.25 175.72 2jiy n ASP 240 N -3.48 -3.00 -4.52 0.00 2.03 0.12 -5.09 116.55 102.61 2jiy n ASP 240 Ca 0.00 -2.98 -0.56 0.00 0.52 0.00 0.00 54.79 51.77 2jiy n ASP 240 Cb 0.52 1.54 -0.07 0.00 -0.72 0.00 0.00 41.12 42.40 2jiy n ASP 240 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2jiy n ARG 241 N 2.55 0.29 -4.33 -0.67 0.63 -0.87 -4.47 116.66 109.80 2jiy n ARG 241 Ca 0.17 0.11 -0.30 0.00 -0.92 0.00 0.00 57.85 56.90 2jiy n ARG 241 Cb 0.57 -1.60 -0.04 0.00 0.45 0.00 0.00 32.46 31.84 2jiy n ARG 241 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2jiy s GLY 242 N 0.03 2.72 0.48 5.14 0.00 -1.26 -5.02 107.32 109.41 2jiy s GLY 242 Ca 0.87 -0.73 0.18 0.00 0.00 0.00 0.00 44.72 45.04 2jiy s GLY 242 CO 0.55 -2.08 2.05 0.00 0.00 0.00 0.00 173.10 173.61 2jiy h THR 243 N 1.03 0.97 -0.07 0.90 1.03 -1.94 -2.43 112.91 112.40 2jiy h THR 243 Ca -0.40 -0.49 0.04 0.00 -0.01 0.00 0.00 66.41 65.55 2jiy h THR 243 Cb 1.31 1.27 -0.04 0.00 -1.07 0.00 0.00 68.15 69.62 2jiy h THR 243 CO 0.65 0.13 -0.18 0.00 -0.01 0.00 0.00 175.52 176.12 2jiy h ALA 244 N 1.86 -0.16 -0.54 0.00 0.00 -1.88 0.17 119.26 118.72 2jiy h ALA 244 Ca -0.00 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2jiy h ALA 244 Cb 0.26 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2jiy h ALA 244 CO 0.02 -0.65 0.15 0.00 0.00 0.00 0.00 179.25 178.77 2jiy h ALA 245 N 0.73 1.26 -0.15 0.00 0.00 -1.82 -1.48 119.26 117.80 2jiy h ALA 245 Ca 0.08 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 2jiy h ALA 245 Cb 0.36 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2jiy h ALA 245 CO -0.22 0.52 -0.46 0.93 0.00 0.00 0.00 179.25 180.02 2jiy h GLU 246 N 0.79 0.57 -0.50 0.00 5.08 -1.19 -2.07 114.58 117.26 2jiy h GLU 246 Ca 0.18 -0.42 -0.11 0.00 -1.00 0.00 0.00 59.36 58.01 2jiy h GLU 246 Cb 0.25 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2jiy h GLU 246 CO -0.01 1.04 -0.13 0.00 -1.00 0.00 0.00 179.01 178.91 2jiy h ARG 247 N 0.21 0.95 0.06 2.33 3.08 -0.88 -1.07 114.38 119.06 2jiy h ARG 247 Ca -0.02 -0.35 0.02 0.00 0.07 0.00 0.00 59.98 59.70 2jiy h ARG 247 Cb 1.08 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.04 2jiy h ARG 247 CO 0.10 1.02 -0.18 0.00 -1.07 0.00 0.00 179.97 179.83 2jiy h ALA 248 N 0.99 -0.28 -0.68 0.04 0.00 -1.28 0.43 119.26 118.49 2jiy h ALA 248 Ca 0.13 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.07 2jiy h ALA 248 Cb 0.68 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 2jiy h ALA 248 CO 0.05 -0.70 0.41 0.00 0.00 0.00 0.00 179.25 179.01 2jiy h ALA 249 N 0.53 0.90 -0.01 0.00 0.00 -1.25 -3.00 119.26 116.43 2jiy h ALA 249 Ca 0.04 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 2jiy h ALA 249 Cb 0.37 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2jiy h ALA 249 CO -0.13 0.14 -0.78 -0.07 0.00 0.00 0.00 179.25 178.41 2jiy h LEU 250 N 0.78 0.14 -0.52 0.00 3.38 -0.97 0.40 115.31 118.53 2jiy h LEU 250 Ca 0.29 -0.11 0.10 0.00 0.09 0.00 0.00 57.88 58.25 2jiy h LEU 250 Cb 0.09 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 40.72 2jiy h LEU 250 CO -0.14 0.86 0.03 0.15 0.09 0.00 0.00 178.44 179.43 2jiy h PHE 251 N 0.07 0.02 0.06 1.13 3.04 -0.77 0.33 116.94 120.81 2jiy h PHE 251 Ca -0.02 0.04 -0.25 0.00 3.98 0.00 0.00 57.97 61.72 2jiy h PHE 251 Cb 1.36 0.07 0.00 0.00 2.56 0.00 0.00 35.95 39.95 2jiy h PHE 251 CO 0.01 -0.10 -1.07 -1.49 -2.02 0.00 0.00 178.31 173.65 2jiy h TRP 252 N 0.14 0.54 -0.01 0.41 4.06 -1.44 -1.81 115.95 117.85 2jiy h TRP 252 Ca 0.26 -0.34 -0.00 0.00 2.06 0.00 0.00 58.89 60.87 2jiy h TRP 252 Cb 0.39 -0.04 -0.00 0.00 -1.00 0.00 0.00 29.16 28.51 2jiy h TRP 252 CO -0.30 1.20 0.01 -0.09 -3.56 0.00 0.00 178.44 175.70 2jiy h ARG 253 N 0.15 0.01 0.00 0.49 2.43 -0.70 0.14 114.38 116.91 2jiy h ARG 253 Ca -0.10 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.00 2jiy h ARG 253 Cb 1.75 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.28 2jiy h ARG 253 CO 0.18 0.07 -0.32 -1.49 -1.51 0.00 0.00 179.97 176.90 2jiy h TRP 254 N -0.04 0.00 0.00 2.20 6.55 -0.92 0.19 115.95 123.93 2jiy h TRP 254 Ca 0.00 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.84 2jiy h TRP 254 Cb 0.06 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.36 2jiy h TRP 254 CO -0.06 0.32 -0.00 1.15 -1.05 0.00 0.00 178.44 178.79 2jiy h THR 255 N 0.00 0.66 -0.02 1.49 2.02 -1.06 -3.42 112.91 112.58 2jiy h THR 255 Ca -0.00 -1.49 0.00 0.00 0.77 0.00 0.00 66.41 65.68 2jiy h THR 255 Cb 0.57 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 2jiy h THR 255 CO 0.04 0.22 0.00 1.15 0.37 0.00 0.00 175.52 177.30 2jiy n MET 256 N -4.72 0.32 -0.62 6.66 0.00 0.46 -5.01 117.12 114.22 2jiy n MET 256 Ca -0.04 -0.91 0.00 0.00 0.00 0.00 0.00 57.70 56.75 2jiy n MET 256 Cb 0.18 -1.05 0.00 0.00 0.00 0.00 0.00 33.22 32.35 2jiy n MET 256 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2jiy n GLY 257 N 0.03 0.78 3.65 3.17 0.00 0.66 -5.00 105.19 108.49 2jiy n GLY 257 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 2jiy n GLY 257 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2jiy s PHE 258 N -2.96 0.41 0.37 1.61 -0.71 -1.25 -4.93 117.98 110.53 2jiy s PHE 258 Ca 0.00 -0.83 -0.12 0.00 -1.04 0.00 0.00 56.93 54.94 2jiy s PHE 258 Cb 0.00 0.34 0.05 0.00 -1.21 0.00 0.00 43.02 42.20 2jiy s PHE 258 CO 0.00 -1.20 0.72 0.27 -1.34 0.00 0.00 175.22 173.67 2jiy n ASN 259 N -0.89 -2.08 -4.33 1.98 0.23 -1.26 -2.99 115.26 105.92 2jiy n ASN 259 Ca -0.03 -2.56 -0.27 0.00 -0.53 0.00 0.00 54.58 51.19 2jiy n ASN 259 Cb 0.61 3.50 -0.05 0.00 -2.08 0.00 0.00 39.78 41.76 2jiy n ASN 259 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jiy n ALA 260 N -0.69 0.45 -2.49 -2.53 0.00 -1.26 -5.06 120.51 108.93 2jiy n ALA 260 Ca -0.16 -1.95 -0.24 0.00 0.00 0.00 0.00 53.44 51.09 2jiy n ALA 260 Cb 0.57 1.01 -0.07 0.00 0.00 0.00 0.00 19.45 20.96 2jiy n ALA 260 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2jiy s THR 261 N -2.53 2.69 0.36 0.00 -4.23 -1.26 -4.74 115.64 105.92 2jiy s THR 261 Ca 0.06 -1.75 0.06 0.00 -1.18 0.00 0.00 61.69 58.88 2jiy s THR 261 Cb -0.00 -2.94 0.30 0.00 1.34 0.00 0.00 72.50 71.19 2jiy s THR 261 CO 0.04 -0.12 1.94 -0.03 -0.54 0.00 0.00 174.62 175.90 2jiy h MET 262 N 1.55 0.75 0.01 3.99 4.05 -1.92 -1.36 114.93 122.01 2jiy h MET 262 Ca -0.43 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 58.92 2jiy h MET 262 Cb 1.25 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 31.89 2jiy h MET 262 CO 0.66 0.49 -0.10 1.49 0.23 0.00 0.00 176.91 179.68 2jiy h GLU 263 N 0.77 0.05 0.00 0.39 4.81 -1.94 -3.38 114.58 115.28 2jiy h GLU 263 Ca 0.34 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.47 2jiy h GLU 263 Cb 0.34 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 2jiy h GLU 263 CO -0.12 0.94 -0.17 0.78 -0.73 0.00 0.00 179.01 179.70 2jiy h GLY 264 N -0.81 0.00 2.00 1.92 0.00 -1.85 -1.90 103.07 102.43 2jiy h GLY 264 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 2jiy h GLY 264 CO 0.02 0.00 -0.14 1.19 0.00 0.00 0.00 176.54 177.61 2jiy h ILE 265 N 0.00 1.03 0.00 2.60 6.09 -1.44 -1.61 117.51 124.18 2jiy h ILE 265 Ca -0.00 -0.48 -0.03 0.00 -1.37 0.00 0.00 64.86 62.97 2jiy h ILE 265 Cb 0.44 1.26 -0.00 0.00 0.47 0.00 0.00 36.82 38.99 2jiy h ILE 265 CO 0.02 0.13 -0.17 0.45 -3.07 0.00 0.00 178.15 175.52 2jiy h HIS 266 N 0.00 0.00 -0.06 2.19 3.86 -1.54 -0.14 115.15 119.46 2jiy h HIS 266 Ca -0.00 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.08 2jiy h HIS 266 Cb 0.25 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.73 2jiy h HIS 266 CO 0.00 0.17 -0.45 0.00 0.86 0.00 0.00 177.93 178.50 2jiy h ARG 267 N 0.00 0.41 -0.62 2.45 3.08 -1.37 -0.86 114.38 117.48 2jiy h ARG 267 Ca -0.00 -0.36 0.11 0.00 0.07 0.00 0.00 59.98 59.79 2jiy h ARG 267 Cb 0.93 0.08 -0.08 0.00 0.08 0.00 0.00 29.97 30.98 2jiy h ARG 267 CO 0.02 1.01 0.18 -1.49 -1.07 0.00 0.00 179.97 178.62 2jiy h TRP 268 N -0.07 0.30 0.45 3.04 4.06 -1.30 -2.11 115.95 120.33 2jiy h TRP 268 Ca -0.04 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 2jiy h TRP 268 Cb 1.12 -0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 29.24 2jiy h TRP 268 CO 0.13 0.02 -0.28 0.00 -3.56 0.00 0.00 178.44 174.76 2jiy h ALA 269 N 1.46 -0.70 -0.49 1.49 0.00 -0.89 -0.86 119.26 119.28 2jiy h ALA 269 Ca 0.32 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 2jiy h ALA 269 Cb 0.45 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2jiy h ALA 269 CO -0.37 -0.91 0.10 0.97 0.00 0.00 0.00 179.25 179.04 2jiy h ILE 270 N -0.70 1.22 0.00 0.00 2.10 -1.09 -2.75 117.51 116.30 2jiy h ILE 270 Ca -0.05 -0.80 -0.22 0.00 1.08 0.00 0.00 64.86 64.87 2jiy h ILE 270 Cb 0.57 0.74 0.02 0.00 -1.09 0.00 0.00 36.82 37.06 2jiy h ILE 270 CO 0.05 0.29 -0.85 -0.50 -1.08 0.00 0.00 178.15 176.06 2jiy h TRP 271 N 0.72 0.85 -0.53 2.19 4.06 -1.26 -0.13 115.95 121.84 2jiy h TRP 271 Ca 0.16 -0.47 0.11 0.00 2.06 0.00 0.00 58.89 60.75 2jiy h TRP 271 Cb 0.30 -0.10 -0.10 0.00 -1.00 0.00 0.00 29.16 28.26 2jiy h TRP 271 CO 0.02 1.30 -0.18 1.98 -3.56 0.00 0.00 178.44 178.00 2jiy h MET 272 N 0.17 -0.05 -0.10 0.49 4.05 -1.05 -1.13 114.93 117.31 2jiy h MET 272 Ca -0.11 0.00 -0.19 0.00 -0.28 0.00 0.00 59.70 59.12 2jiy h MET 272 Cb 1.53 0.01 0.01 0.00 -0.80 0.00 0.00 31.60 32.36 2jiy h MET 272 CO 0.17 -0.03 -0.69 0.00 0.23 0.00 0.00 176.91 176.58 2jiy h ALA 273 N 1.41 0.22 -0.81 0.39 0.00 -1.44 -3.16 119.26 115.88 2jiy h ALA 273 Ca 0.25 -0.57 0.07 0.00 0.00 0.00 0.00 54.91 54.66 2jiy h ALA 273 Cb 0.44 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 2jiy h ALA 273 CO -0.58 0.54 0.48 0.28 0.00 0.00 0.00 179.25 179.98 2jiy h VAL 274 N 0.31 1.00 0.00 0.00 2.07 -0.80 -2.80 116.25 116.02 2jiy h VAL 274 Ca -0.06 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.16 2jiy h VAL 274 Cb 1.34 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2jiy h VAL 274 CO 0.14 0.16 0.00 -0.07 0.02 0.00 0.00 177.57 177.82 2jiy h LEU 275 N 0.87 0.00 0.18 2.57 3.38 -1.18 -1.81 115.31 119.32 2jiy h LEU 275 Ca 0.36 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.34 2jiy h LEU 275 Cb 0.21 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 2jiy h LEU 275 CO -0.19 0.00 -0.31 0.58 0.09 0.00 0.00 178.44 178.61 2jiy h VAL 276 N 0.00 0.34 0.00 1.22 2.07 -1.50 -2.17 116.25 116.21 2jiy h VAL 276 Ca 0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 2jiy h VAL 276 Cb 0.58 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 2jiy h VAL 276 CO 0.00 0.00 -0.87 0.71 0.02 0.00 0.00 177.57 177.43 2jiy h THR 277 N -0.57 0.29 0.39 2.57 1.35 -1.63 -2.27 112.91 113.03 2jiy h THR 277 Ca 0.02 -1.49 -0.02 0.00 -0.55 0.00 0.00 66.41 64.36 2jiy h THR 277 Cb 0.57 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.89 2jiy h THR 277 CO -0.14 0.16 -0.19 0.25 -0.25 0.00 0.00 175.52 175.36 2jiy h LEU 278 N 0.00 -0.44 -0.85 3.87 5.85 -1.35 -0.15 115.31 122.25 2jiy h LEU 278 Ca -0.05 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.50 2jiy h LEU 278 Cb 1.23 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.34 2jiy h LEU 278 CO 0.02 -0.03 0.31 0.71 -0.34 0.00 0.00 178.44 179.12 2jiy h THR 279 N -0.95 1.26 0.21 1.05 1.35 -1.51 -2.70 112.91 111.62 2jiy h THR 279 Ca -0.05 -0.81 0.01 0.00 -0.55 0.00 0.00 66.41 65.01 2jiy h THR 279 Cb 0.54 0.33 -0.03 0.00 -1.73 0.00 0.00 68.15 67.26 2jiy h THR 279 CO 0.09 0.33 -0.29 1.23 -0.25 0.00 0.00 175.52 176.63 2jiy h GLY 280 N 1.15 -0.60 0.68 5.82 0.00 -1.40 -0.41 103.07 108.30 2jiy h GLY 280 Ca 0.26 0.34 0.10 0.00 0.00 0.00 0.00 47.33 48.02 2jiy h GLY 280 CO -0.02 -0.25 0.60 -1.33 0.00 0.00 0.00 176.54 175.54 2jiy h GLY 281 N -0.56 1.40 0.89 4.60 0.00 -0.95 -1.10 103.07 107.35 2jiy h GLY 281 Ca 0.01 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 2jiy h GLY 281 CO -0.11 0.22 0.08 -2.22 0.00 0.00 0.00 176.54 174.51 2jiy h ILE 282 N 0.96 1.17 -0.70 2.60 2.04 -1.11 -0.31 117.51 122.16 2jiy h ILE 282 Ca 0.43 -0.53 0.04 0.00 1.00 0.00 0.00 64.86 65.80 2jiy h ILE 282 Cb 0.38 1.12 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 2jiy h ILE 282 CO -0.19 0.17 0.43 1.23 0.00 0.00 0.00 178.15 179.79 2jiy h GLY 283 N 0.19 1.02 0.79 5.37 0.00 -0.29 -2.00 103.07 108.16 2jiy h GLY 283 Ca 0.07 -0.32 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 2jiy h GLY 283 CO -0.00 0.26 -0.23 -2.22 0.00 0.00 0.00 176.54 174.34 2jiy h ILE 284 N 0.83 1.35 -0.56 2.60 1.08 -1.12 -3.13 117.51 118.56 2jiy h ILE 284 Ca 0.29 -1.44 0.06 0.00 -0.39 0.00 0.00 64.86 63.38 2jiy h ILE 284 Cb 0.06 1.91 -0.03 0.00 -3.07 0.00 0.00 36.82 35.68 2jiy h ILE 284 CO -0.13 0.43 0.37 0.25 -0.69 0.00 0.00 178.15 178.39 2jiy h LEU 285 N 0.07 0.45 -0.50 1.44 5.85 -0.83 -1.40 115.31 120.39 2jiy h LEU 285 Ca 0.02 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2jiy h LEU 285 Cb 0.80 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 2jiy h LEU 285 CO 0.05 0.29 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.34 2jiy h LEU 286 N 0.51 0.00 -9.00 2.25 3.38 -1.39 -3.40 115.31 107.66 2jiy h LEU 286 Ca 0.24 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.64 2jiy h LEU 286 Cb 0.29 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 2jiy h LEU 286 CO -0.07 0.04 0.92 -0.44 0.09 0.00 0.00 178.44 178.97 2jiy s SER 287 N -6.06 6.82 0.00 -0.43 0.01 -0.53 -1.07 113.70 112.44 2jiy s SER 287 Ca 0.05 1.28 0.00 0.00 1.31 0.00 0.00 55.95 58.58 2jiy s SER 287 Cb 0.07 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.76 2jiy s SER 287 CO 0.63 -0.94 0.00 0.61 0.41 0.00 0.00 173.24 173.95 2jiy n GLY 288 N 4.00 3.14 0.11 3.44 0.00 0.11 -4.77 105.19 111.22 2jiy n GLY 288 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 2jiy n GLY 288 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jiy n THR 289 N -2.00 1.53 -0.06 2.61 -2.24 -1.21 -4.75 114.28 108.16 2jiy n THR 289 Ca 0.00 -0.06 -0.08 0.00 -2.27 0.00 0.00 64.05 61.64 2jiy n THR 289 Cb 0.00 -2.03 -0.06 0.00 -2.10 0.00 0.00 70.33 66.14 2jiy n THR 289 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2jiy n VAL 290 N -4.42 0.72 -4.04 2.28 0.31 -0.83 -4.98 118.33 107.38 2jiy n VAL 290 Ca -0.34 -0.30 -0.31 0.00 -0.01 0.00 0.00 64.34 63.38 2jiy n VAL 290 Cb 0.70 -0.92 -0.16 0.00 -0.91 0.00 0.00 33.84 32.55 2jiy n VAL 290 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2jiy s VAL 291 N -2.25 1.85 -0.27 2.52 1.01 -0.23 -4.99 120.40 118.03 2jiy s VAL 291 Ca -0.15 -1.11 0.19 0.00 0.00 0.00 0.00 61.98 60.90 2jiy s VAL 291 Cb 0.04 -1.86 0.19 0.00 0.00 0.00 0.00 36.38 34.76 2jiy s VAL 291 CO 0.31 0.22 1.53 0.44 0.00 0.00 0.00 175.10 177.61 2jiy h ASP 292 N 7.93 0.00 -1.50 3.32 3.32 -1.87 0.31 116.42 127.92 2jiy h ASP 292 Ca -0.30 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.72 2jiy h ASP 292 Cb 1.10 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.39 2jiy h ASP 292 CO 0.51 0.27 -0.37 0.21 -1.72 0.00 0.00 179.24 178.14 2jiy s ASN 293 N -6.33 -0.59 0.28 6.45 3.84 -1.26 -4.38 114.94 112.95 2jiy s ASN 293 Ca 0.05 0.60 0.06 0.00 0.21 0.00 0.00 52.86 53.78 2jiy s ASN 293 Cb 0.06 1.66 0.40 0.00 -0.55 0.00 0.00 41.25 42.82 2jiy s ASN 293 CO 0.71 -0.28 1.67 -0.50 -2.79 0.00 0.00 177.10 175.91 2jiy h TRP 294 N 8.09 0.32 -0.37 0.43 4.06 -1.28 -1.32 115.95 125.89 2jiy h TRP 294 Ca -0.21 -0.09 0.01 0.00 2.06 0.00 0.00 58.89 60.66 2jiy h TRP 294 Cb 1.15 -0.07 -0.02 0.00 -1.00 0.00 0.00 29.16 29.22 2jiy h TRP 294 CO 0.12 0.67 0.22 -0.92 -3.56 0.00 0.00 178.44 174.97 2jiy h TYR 295 N 0.22 0.42 -0.27 0.49 3.20 -1.78 0.20 116.97 119.45 2jiy h TYR 295 Ca 0.02 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 2jiy h TYR 295 Cb 0.87 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 2jiy h TYR 295 CO 0.02 0.25 0.04 0.28 -1.64 0.00 0.00 178.16 177.10 2jiy h VAL 296 N 0.45 1.23 -0.09 1.81 2.07 -1.83 -2.32 116.25 117.58 2jiy h VAL 296 Ca 0.14 -0.80 0.03 0.00 0.82 0.00 0.00 66.70 66.89 2jiy h VAL 296 Cb -0.01 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 2jiy h VAL 296 CO -0.06 0.26 -0.08 -0.25 0.02 0.00 0.00 177.57 177.46 2jiy h TRP 297 N 0.26 -0.20 -0.61 1.57 7.01 -1.04 -2.47 115.95 120.48 2jiy h TRP 297 Ca 0.08 0.01 0.15 0.00 2.11 0.00 0.00 58.89 61.24 2jiy h TRP 297 Cb 0.35 0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 27.48 2jiy h TRP 297 CO 0.02 -0.13 0.42 0.78 -2.79 0.00 0.00 178.44 176.75 2jiy h GLY 298 N -0.10 0.27 2.00 2.65 0.00 -0.37 -0.81 103.07 106.71 2jiy h GLY 298 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2jiy h GLY 298 CO -0.15 0.03 0.00 1.46 0.00 0.00 0.00 176.54 177.88 2jiy h GLN 299 N 0.16 0.00 0.00 4.80 1.08 -0.93 -3.40 115.11 116.82 2jiy h GLN 299 Ca 0.29 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.49 2jiy h GLN 299 Cb 0.93 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.36 2jiy h GLN 299 CO -0.04 0.00 -0.26 0.09 -0.95 0.00 0.00 178.83 177.66 2jiy n ASN 300 N -2.30 0.66 -4.29 1.46 5.03 -0.33 -4.99 115.26 110.50 2jiy n ASN 300 Ca 0.03 0.26 -0.38 0.00 0.87 0.00 0.00 54.58 55.35 2jiy n ASN 300 Cb 0.27 -0.61 -0.12 0.00 -1.02 0.00 0.00 39.78 38.30 2jiy n ASN 300 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 2jiy s HIS 301 N -1.56 3.26 0.00 3.10 0.09 -1.25 -5.17 115.29 113.76 2jiy s HIS 301 Ca -0.08 -1.35 0.00 0.00 -0.00 0.00 0.00 55.06 53.64 2jiy s HIS 301 Cb 0.01 -2.32 0.00 0.00 -0.00 0.00 0.00 32.58 30.27 2jiy s HIS 301 CO 0.11 -0.72 0.00 0.41 -0.00 0.00 0.00 174.74 174.55